This work presents noble composites of AAILs@MCM-48 by functionalizing ordered mesopo-rous silicon MCM-48 with two amino acid-based ionic liquids (AAILs) ([Emim][Gly] and [Em-im][Ala]) to improve carbon capture and selectivity of CO2 over nitrogen. Thermogravimetric and XRD analyses of the composites show that the MCM-48 support's thermal and structural in-tegrity was preserved after the AAILs were encapsulated. An N2 adsorption-desorption study at 77 K also confirms AAIL encapsulation in the porous support. Under post-combustion flue gas conditions, both [Emim][Gly]@MCM-48 and [Emim][Ala]@MCM-48 demonstrated improved CO2 adsorption in comparison to unmodified MCM-48, with a CO2 partial pressure of around 0.15 bar. In terms of maximal CO₂ uptake, the 40wt%-[Emim][Gly] composite outperformed the others at 303K, with values of 0.74 and 0.82 mmol g-1, respectively, at 0.1 and 0.2 bar. These numbers show a 10x and 5x increase, respectively, as compared to the pure MCM-48 under iden-tical conditions. In addition, the selectivity of the composites was improved significantly, at 0.1 bar, the selectivity of composites containing 40wt% [Emim][Ala] increased to 17, compared to 2 for pristine MCM-48.

Co-delivery of antigens and adjuvants to the same antigen presenting cells (APCs) can significantly improve the efficacy and safety profiles of vaccines. Here, we report amine-grafted silica nanoparticles (A-SNPs) as a tunable vaccine co-delivery platform for TLR7/8 agonists along with the recombinant influenza antigen hemagglutinin H7 (H7) to APCs. A-SNPs of two different sizes (50 and 200 nm) were prepared and coated with INI-4001 at different coating densities, followed by co-adsorption of H7. Both INI-4001 and H7 showed > 90% adsorption to the tested A-SNP formulations. TNF-α and IFN-α cytokine release by human peripheral blood mononuclear cells as well as TNF-α, IL-6, and IL-12 release by mouse bone marrow-derived dendritic cells revealed that the potency of the INI-4001-adsorbed A-SNPs (INI-4001/A-SNP) formulations can be improved relative to aqueous formulation control. This improved potency was dependent on particle size and ligand coating density. In addition, slow-release profiles of INI-4001 were measured from INI-4001/A-SNP formulations in plasma with 30-50% INI-4001 released after 7 days. In vivo murine immunization studies demonstrated significantly improved H7-specific humoral and Th1/Th17-polarized T cell immune responses with no observed adverse reactions. Low-density 50 nm INI-4001/A-SNP elicited significantly higher IFN-γ and IL-17 induction over that of the H7 antigen only group and INI-4001 aqueous formulation controls. In summary, this work introduces an effective and biocompatible SNP-based co-delivery platform that enhances the immunogenicity of TLR7/8 agonist-adjuvanted subunit influenza vaccines.

Delivery systems of the biologically active substance such as proanthocyanidins (PCAN) produced through the electrospinning method were designed using a blend of poly(L-lactide-co-glycolide) and poly[(R,S)-3-hydroxybutyrate]. The research involved the structural and thermal characteristics of the developed electrospun three-dimensional fiber matrix, as well as hydrolytic degradation tests performed on them. Additionally, the release profile of PCAN from the electrospun nonwoven was determined using UV–VIS spectroscopy. Approximately 30% of PCAN was released from the tested electrospun nonwoven during the initial 15-20 days of incubation. The chemical structure of water-soluble oligomers that were formed after the hydrolytic degradation of the developed delivery system was identified through electrospray ionization mass spectrometry. Oligomers of lactic acid and OLAGA oligocopolyester, as well as oligo-3-hydroxybutyrate terminated with hydroxyl and carboxyl end groups, were recognized as degradation products released into the water during the incubation time. It was also demonstrated that variations in the degradation rate of individual mat components influenced the degradation pattern, and the number of formed oligomers. The obtained results suggest that the incorporation of proanthocyanidins into the system slowed down the hydrolytic degradation process of the poly(L-lactide-co-glycolide)/poly[(R,S)-3-hydroxybutyrate] three-dimensional fiber matrix. In addition, in vitro cytotoxicity and antimicrobial studies advocate the use of PCAN for biomedical applications with promising antimicrobial activity.

University-Business partnership for collaborative curriculum design, development and delivery is possibly the less explored dimension of University Business Collaboration (UBC). Even if some models for curricular design and development might be available, scarce information exists on how the partnership is constructed, the new curricula are designed, developed and how they are implemented. This article intends to present and discuss the experience obtained during a three-year European funded Project, namely Think4Jobs. This project exemplifies the significance and benefits of UBC in the design, development and delivery of curricula that meet the evolving demands of the labour market while promoting Critical Thinking (CT) as a foundational 21st century skill to contribute to graduates' employability. Think4Jobs project brought together a multidisciplinary team of researchers and business organisations from five European countries (Germany, Greece, Lithuania, Portugal and Romania) with interests in promoting and developing CT and mitigating eventual competence gaps. The project's success was attributed to key practices, including defining a common conceptualization of CT, employing participatory co-design, and providing common training for university and business partners. Clear objectives, explicit roles, effective communication, and ongoing evaluation further enhanced the collaboration. Experiential learning, real-work problems, and case studies reinforced the curricula, bridging the gap between academia and the labour market. By embracing these insights, future UBC initiatives can empower graduates with the necessary skills to stand out in an ever-changing labour market, contributing to enhanced education and successful careers.

Silica aerogels and their derivatives have outstanding thermal properties with exceptional values in the thermal insulation industry. However, the brittle nature restricts its large-scale commercialization. Thus, enhancing their mechanical strength without affecting their thermal insulating properties is essential. Therefore, for the first time, highly thermally stable Poly(acrylamide-Co-acrylic acid) partial sodium salt is used as a reinforcing polymer to synthesize hybrid P(AAm-CO-AAc)-silica aerogels via epoxy ring-opening polymerization in the present study. Functional groups in P(AAm-CO-AAc) partial sodium salts, such as CONH2 and COOH, acted as nucleophiles for the epoxy ring-opening reaction with (3-glycidyloxypropyl)trimethoxysilane, which resulted in a seven-fold enhancement in mechanical strength compared to that of a pristine silica aerogel while maintaining the thermal conductivity at less than 30.6 mW/mK and porosity of more than 93.68%. Moreover, the hybrid P(AAm-CO-AAc)-silica aerogel demonstrated improved thermal stability up to 343 ⁰C owing to the synergetic effect between P(AAm-CO-AAc) and the silica aerogel, corresponding to thermal stability and strong covalent bonding among them. These excellent results illustrate that this new synthetic approach for producing hybrid P(AAm-CO-AAc)-silica aerogels is useful for enhancing the mechanical strength of a pristine silica aerogel without impairing its thermal insulating property and shows potential as an industrial heat insulation material.

Zeolite Y with microporous and hierarchical structure containing Ti–Ni and Ti–Co oxides were obtained as active photocatalysts. Different Ti amounts (5, 10% TiO2) were supported, followed by loading of Ni or Co oxides (5 %). The X-ray diffraction evidenced the presence of TiO2 as anatase. N2 adsorption-desorption results showed type IV isotherms, for hierarchical zeolite Y samples, and a combination of type IV and I isotherms, for zeolite Y samples. UV–Vis diffuse reflectance spectra showed shift of absorption band to visible with increasing of Ti loading and especially after Co and Ni addition. A significant effect of the support was evidenced for Ti and interaction with Co/Ni species. The zeolite Y support stabilizes Ti in the 4+ oxidation state while hierarchical zeolite Y support favored the formation of Ti 3+ species and oxidation of Co and especially of Ni to 3+. Photocatalytic activity, under UV and visible light, was evaluated in degradation of amoxicillin, used as a model test. The photocatalytic mechanism was investigated using ethanol, p-benzoquinone and KI as ·OH, ·O2- radicals and hole (h+) scavengers. The best results were obtained for the immobilized Ni-Ti species on hierarchical zeolite Y support.

Addressing factors modulating COVID-19 is crucial since abundant clinical evidence shows that outcomes are markedly heterogeneous between patients. This requires identifying the factors and understanding how they mechanistically influence COVID-19. Here, we describe how eleven selected factors influence COVID-19 by applying the Adverse Outcome Pathway (AOP) framework well-established in regulatory toxicology. This framework aims to model the sequence of events starting from an initial interaction of a stressor with the organism and the progress through key biological events leading to an adverse health outcome. Several linear AOPs depicting pathways from the binding of the virus to ACE2 up to clinical outcomes observed in COVID-19 patients have been developed and integrated into a network offering a unique overview of the mechanisms underlying the disease. As SARS-CoV-2 infectibility and ACE2 activity are the major starting points and inflammatory response is central in the development of COVID-19, we evaluated how eleven intrinsic and extrinsic factors modulate those processes impacting clinical outcomes. Applying this AOP-aligned approach enables the identification of current knowledge gaps orientating for further research and allows to propose biomarkers to identify of high-risk patients. This approach also facilitates expertise synergy from different disciplines to address public health issues.

PHLNs (polymeric lipid hybrid nanoparticles) are core–shell nanoparticle structures made up of polymer cores and lipid shells that have properties similar to both polymeric nanoparticles and liposomes. Methotrexate (MTX) loaded PLHNPs containing tween 80, phosphatidylcholine, poly D, L-lactic-co-glycolic acid (PLGA) & glyceryl tripalmitate prepared using solvent injection & homogenization method for glioblastoma treatment option. The MTX loaded PLHNPs optimized by Box–Behnken design to minimize particle size, higher entrapment efficacy, and maximize MTX concentration in the brain at 4h. The particle size, entrapment efficacy, concentration of drug in brain at 4h, zeta potential and AUC(Brain)/AUC(Plasma) ratio were in the range of 173.51-233.37nm, 70.56-86.34%, 6.38-12.38 μg/mL, 25.78-36.31mV & 1.02-5.32. in-vitro drug release studies, cellular internalization of optimized formulation against U-87 MG shows good anticancer effects.

In China, the production of crop straw has been estimated to be approximately 800 Million tons yearly of which about 40% was burned. Corn stover is one of the main agricultural wastes in China. It has shown that lignin in corn stover could be effectively removed byMyrothecium verrucaria. The effects of the pretreatment of corn strover by Myrothecium verrucaria on compost were studied. The results showed that corn stover pretreatment by Myrothecium verrucaria, the Cellulose, Hemicellulose, and lignin were degraded and the results were 33.43%, 11.53% and 18.70% respectively. Scanning electron microscope (SEM) analysis showed that the surface structure of corn stover was changed. Fourier transform infrared spectroscopy (FTIR) analysis showed that the degradation products of lignin were increased. The exposed area of cellulose and hemicellulose was increased. Compared with the control group, the pH value was stable and the temperature was higher. The content of nitrogen in the material decreased, while the contents of total phosphorus and total potassium increased.The C/N ratio of materials decreased after composting.The results showed that the pretreatment of Myrothecium verrucaria improve the degradation of lignocelluloses, a great contribution was made to reduce the causes loss of plant nutrient and to fight against environmental pollution.

We put forward a co-axial pump(optical)-probe(X-rays) experimental concept and show performance of the optical component. A Bessel beam generator with a central 100 micrometers-diameter hole (on the optical axis) was fabricated using femtosecond (fs) laser structuring inside a silica plate. This flat-axicon optical element produces a needle-like axial intensity distribution which can be used for the optical pump pulse. The fs-X-ray free electron laser (X-FEL) beam of sub-1 micrometer diameter can be introduced through the central hole along the optical axis onto a target as a probe. Different realisations of optical pump are discussed. Such optical elements facilitate alignment of ultra-short fs-pulses in space and time and can be used in light-matter interaction experiments at extreme energy densities on the surface and in the volume of targets. Full advantage of ultra-short 10 fs X-FEL probe pulses with fs-pump(optical) opens an unexplored temporal dimension of phase transitions and the fastest laser-induced rates of material heating and quenching. A wider field of applications of fs-laser-enabled structuring of materials and design of specific optical elements for astrophotonics is presented.

Electrical properties of the thin films of poly(arylene ether ketone) copolymers (co-PAEKs) with the fraction of phthalide-containing units of 3, 5 and 50 mol% in the main chain were investigated by using radiation induced conductivity (RIC) measurements. Transient current signals and current-voltage (I-V) characteristics were obtained under exposing 20÷25 thick films of the co-PAEKs to monoenergetic electron pulses of the energy ranged from 3 to 50 keV in the electric field ranged from 5 to 40 V/μm. The Rose-Fowler-Vaisberg semi-empirical model based on a multiple trapping formalism was used for an analysis of the RIC data and the parameters of the highly dispersive charge carrier transport were evaluated. The analysis revealed that charge carriers moved in isolation from each other and the applied electric fields were below the threshold field triggering the switching effect (a reversible high-to-low resistivity transition) in the co-PAEK films. It was also found that the co-PAEK films due to the super-linear I-V characteristics are highly resistant to electrostatic discharges arising from the effects of ionizing radiation. This property is important for the development of protective coatings for electronic devices.

In this work, we focus on investigating electrothermal flow in a rotating electric field (ROT-ETF), with primary attention paid to the horizontal traveling-wave electrothermal (TWET) vortex induced at the center of the electric field. The frequency-dependent flow profiles in the microdevice are analyzed using different heat transfer models. Accordingly, we address in particular the importance of electrode cooling in ROT-ETF as metal electrodes of high thermal conductivity while substrate material of low heat dissipation capability are employed to develop such microfluidic chips. Under this circumstance, cooling of electrode array due to external natural convection on millimeter-scale electrode pads for external wire connection occurs and makes the internal temperature maxima shift from the electrode plane to a bit of distance right above the cross-shaped interelectrode gaps, giving rise to reversal of flow rotation from a typical repulsion-type to attraction-type induction vortex, which is in good accordance with our experimental observations of co-field TWET streaming at frequencies on the order of reciprocal charge relaxation time of the bulk fluid. These results point out a way to make a correct interpretation of out-of-phase electrothermal streaming behavior, which holds great potential for handing high-conductivity analytes in modern microfluidic systems.

The concept of a Social License to Operate (SLO) has become increasingly important in the sustainability literature in recent years. Having its origins in the business discourse of the mining industry with respect to limiting opposition to mining projects, the notion of a social contract above and beyond legal requirements has since become applied across a number of different industries. Despite the concepts adoption confusion exists over the practices and outcomes of SLO, and particularly the nature of engagement. Given this situation it is surprising that not more attention to the role of marketing, and social marketing in particular, in operationalizing the concept. The paper discusses the potential of social marketing to contribute to SLO. Economic, political and social relations are complex in SLO and exchange is intricate in such relational environments. A community-based social marketing orientation is proposed as a means to improve exchange relations and enhance engagement. Seven models of SLO related social marketing models are discussed with community-based social marketing and adaptive co-marketing models being regarded as the most positive for the achievement of an SLO. Potential barriers to adoption of these approaches are noted.

A testable hypothesis with quantitative predictions is put forward, proposing that strong acids produced on land at a rate correlated with global population are an increas-ing cause of increasing atmospheric CO2 pressure (pCO2). This hypothesis widens the imbalance assumed between the global uptake of CO2 by photosynthesis and emissions of CO2 from all sources, including the combustion of fossil fuels, causing greater atmos-pheric pCO2. Our modelling tests for reactions of dissolved inorganic carbon show that increasing atmospheric CO2 is caused thermodynamically by falling land surface pH values, but only with bicarbonate present. Strong acids generated by oxygen from re-duced inorganic compounds of nitrogen and sulphur emit CO2 almost stoichiometrically from dissolved bicarbonate in the pH range of most global soils, between 6 to above 8. We show that each decrease of aqueous pH value of 0.01 units from acidification of sur-face water near pH 8 potentially increases the pCO2 in the atmosphere by about 7 ppmv. The surface pH value of the ocean near 8.10 in 2000 has been shown to decrease at this rate, a result of equilibrating with the rising atmospheric pCO2. Therefore, our qualita-tive estimates of increasing atmospheric CO2 driven by irreversible acidification on land are critical and need broad scale validation. Unfortunately, these acidifying processes on land from excessive nitrogen fertiliser, export of alkaline produce from farmlands and other processes were not considered by previous biogeochemical reviews. However, several very recent research studies showing CO2 emissions from soil during nitrifica-tion are consistent with our hypothesis. Despite counter measures to curb excessive CO2 emissions, including carbon capture and geological storage, the increasing Keeling curve for pCO2 may continue to rise because zero carbon policies do not address these causes. We recommend that this hypothesis be further tested by in situ experiments in neutral soils and water, designed to compare CO2 emissions under the acidifying conditions de-scribed in this article. Corrective counter measures can then be designed and applied.

Thirteen benzylethylenearyl ureas and one carbamate have been designed, synthesized and biologically evaluated as regards their antiproliferative activity on tumor cell lines HEK-293 and A-549 and on the immune and endothelial Jurkat T cells and HMEC-1, respectively. A relationship between the structure of the synthetic compounds and their antiproliferative activity has been established. Compounds C.1, C.3, C.12 and C.14 were chosen for further biological studies in order to determine their potential as oncoimmunomodulating agents. Some compounds exhibited significant inhibitory effects on both total PD-L1 and VEGFR-2 in HT-29 cell line, showing urea C.12 active against both targets. Some compounds could reduce more than 50% of cancer living cells, compared to non-treated ones, when assessed in co-cultures using HT-29 and THP-1 cells. In addition, these compounds showed no effect on the immune cell viability and significantly reduce CD11b expression, which is a promising target for immune modulation in anti-cancer therapies.

Using of the organic base tetramethylammonium hydroxides (TMAH) is a viable, cheap and fast route, for the MgZnAl-LDH type materials synthesis by both co-precipitation and mechano-chemical methods. TMAH provided several advantages as smaller quantity of water required in the washing step compared to the use of inorganic alkalis, prevention of LDH contamination with alkali cations, acting as template molecule in texture tailoring along with disadvantages as its presence in small quantities in the resulting layered materials. Regardless the use of organic / inorganic bases and co-precipitation / mechano-chemical methods, zincite stable phase was found in all the synthesized solids. The basicity of catalysts followed the trend: mixed oxides > reconstructed > parent LDH. The memory effect of LDH is supported only by the presence of Mg and Al cations, while Zn remains as zincite stable phase. The catalytic activities for Claisen-Schmidt condensation of benzaldehyde with cyclohexanone provided values higher than 90% after 2h, with a total selectivity in 2,6-dibenzylidenecyclohexanone, while in self-condensation of cyclohexanone no more than 7.29% after 5h. These behaviors depended on catalysts basicity as well as the planar rigidity of the compound.

Selection of co-belonging fragments from the numerous ceramic findings of an archaeological excavation remains a difficult process of questionable effectiveness, based exclusively on the experience and patience of the conservators. While the screening of the fragments is a central prerequisite and the most important stage of the process of vase reconstruction, established methods based on scientific criteria and guaranteed efficiency for the detection of co-belonging ceramic fragments suggested in the bibliography, do not exist. On the contrary, for methods dealing with the assembly of vases from co-belonging fragments, which is a secondary process that can be done more easily and effectively in an empirical way, there exist numerous studies based on fragment morphology. However, even these are also not implemented because of the time requirements, sheer volume and complexity of the proposed methods, in order for them to be applicable in practice. The proposed methods in this paper are based on thermoremanent magnetization (A/m), which is calculated from the weak magnetic field measurements by a fluxgate-sensor/magnet apparatus forming a three-dimensional orthogonal system. Experimental measurements from fragments of 6 vases show that the magnetization magnitude of co-belonging fragments display similar values, despite the magnetic anisotropy of the ceramic material, since these belong to vases that are made of the same clay and fired under the same conditions. This is the criterion for finding ceramic fragments of the same vase from archaeological excavations. The thermoremanent magnetism directionality of fragments, which is aligned along the geomagnetic field at the same place and time during the vase firing process, as it is configured by their rotational symmetry, defines the position of the fragments on the body of the 6 vases. The shape of the original vase can be reconstructed when only a few non adjacent fragments are available. The proposed measurement apparatus can be used for the construction of a useable portable magnetometer specialized for ceramic surface measurements to achieve the above objectives.

The purpose of this study is nutrient resources recovery by achieving the optimal chemical oxygen demand (COD) and carbon to nitrogen ratio (C/N) in co-composting wastewater treatment plant sludge with Municipal Solid Wastes (MSW). In this effort, the co-composting has been conducted in form of a case study in the northern region of Iran. In this research, 192 tests were carried out on four series of samples examined in terms of waste to sludge ratio, different aeration period, the percent of porous materials and the moisture content. This study was carried out at a temperature of 50 °C for a 15 day period by application of the in-vessel system and shows that the best ratio for waste to sludge is 2:1, while the 8 hour period is the best aeration period. The porous material which can be added to the composting process is limited to 15% in weight. In other words, any more or less amount of this material will adversely impact the process. Moreover, this research suggests that the sludge dewatering is not required in such processes. In Addition, the efficiency of both COD and C/N reductions equals to about 40%.

Pseudopterosin, produced by the sea whip of the genus Antillogorgia, possesses a variety of promising biological activities including potent anti-inflammatory effects. However, few studies examined pseudopterosin in the treatment of cancer cells and, to our knowledge, the ability to inhibit triple negative breast cancer (TNBC) proliferation or invasion has not been explored. Thus, we evaluated the as yet unknown mechanism of action of pseudopterosin: Pseudopterosin was able to inhibit proliferation of TNBC. Interestingly, analyzing breast cancer cell proliferation after knocking down glucocorticoid receptor α (GRα) revealed that anti-proliferative effects of pseudopterosin were significantly inhibited when GRα expression was reduced. Furthermore, pseudopterosin inhibited invasion of MDA-MB-231 3D tumor spheroids embedded in an extracellular-like matrix. Remarkably, the knockdown of GRα in 3D tumor spheroids revealed increased ability of cells to invade the surrounding matrix. In a co-culture, encompassing peripheral blood mononuclear cells (PBMC) and MDA-MB-231 cells, production of interleukin 6 (IL-6) and interleukin 8 (IL-8) significantly increased compared to monoculture. Notably, pseudopterosin proved to block cytokine elevation, representing key players in tumor progression, in the co-culture. Thus, our results reveal pseudopterosin treatment as a potential novel approach in TNBC therapy.

Abstract: We review the development and application of an organic polymer-gel capable of producing fixed, three-dimensional fluorescent images of complex radiation fields. The gel consists for more than 99% of γ-ray-polymerized (~15% conversion) tertiary-butyl acrylate (TBA) containing ~100 ppm of a fluorogenic compound, e.g. maleimido-pyrene (MPy). The radio-fluorogenic effect depends on copolymerization of the MPy into growing chains of TBA on radiation-induced polymerization. This converts the maleimido residue, which quenches the pyrene fluorescence, into a succinimido moeity (SPy), which doesn't. The intensity of the fluorescence is proportional to the yield of free-radicals formed and hence to the local dose deposited. Because the SPy moieties are built into the cross-linked polymer matrix the image is fixed. The method of preparing the gel and imaging the radiation-induced fluorescence are presented and discussed. The effect is illustrated with fluorescent images of the energy deposited in the gel by beams of X-rays, electrons and protons as well as a radioactive isotope.

Robotic systems are crucial in modern manufacturing. Complex assembly tasks require the collaboration of multiple robots. Their orchestration is challenging due to tight tolerances and precision requirements. In this work we set up two Franka Panda robots performing a peg-in-hole insertion task. We structure the control system hierarchically, planning the robots’s trajectories feedback-based with a central policy trained with reinforcement learning. These trajectories are executed by a low-level impedance controller on each robot. To enhance training convergence, we use reverse curriculum learning incorporating domain randomization, varying initial configurations of the task. After training, we test the system in a simulation, studying the impact of curriculum parameters on emerging process characteristics like process time and variance. Finally, we transfer the trained model to a real-world setup, comparing results with simulation as well as classical path planning and control approaches.

Muon tomography leverages cosmic muons’ exceptional penetration capabilities to reconstruct detailed tomographic images via multiple Coulomb scattering interactions, making it invaluable for detecting High-Z materials critical to homeland security. This study introduces the Slope Intercept (SI) algorithm, a novel approach for rapid and precise tomographic image reconstruction. Implemented using Geant4 simulations in a standard-sized container tomography station, SI demonstrates superior performance in speed and simplicity compared to traditional methods. While the imaging results of SI and the Point of Closest Approach (POCA) algorithm are nearly identical, the SI algorithm is simpler to implement, requires shorter CPU time, and exhibits a smaller margin of error. Its computational efficiency and simplicity make it a robust alternative to the POCA algorithm. These findings highlight SI’s suitability for applications demanding robust imaging and efficient data processing, which are crucial for advancing security measures and scientific research.

The dynamic response of the shed-tunnel structure under rockfall impact attracts much attention in recent years. However, the research on the dynamic response of the shed-tunnel structure under rockfall impact mostly focuses on the rockfall single impact, while in practical engineering, the shed-tunnel structure often encounters the rockfall repeated impacts during its service life. Therefore, this research focuses on exploring the dynamic response characteristics of the shed-tunnel structure under the rockfall repeated impacts. First of all, based on the model test of the shed-tunnel under rockfall impact as a reference, the FEM (Finite Element Method)-SPH (Smoothed Particle Hydrodynamics) coupling numerical calculation model is established based on ANSYS/LS-DYNA finite element code. The numerical simulation of the dynamic response of the shed-tunnel structure under rockfall impact is realized, and the rationality of the model is verified. Then, with this model and the full restart technology of LS-DYNA code, the effects of four factors, e.g. rockfall mass, rockfall impact velocity, rockfall impact angle and rockfall shape, on the impact force and impact depth of the buffer layer, the maximum plastic strain and axial force of the rebar, the shed roof vertical displacement and the shed-tunnel plastic strain are studied. These results show that the cumulative deformation and damage of the shed-tunnel structure caused by the rockfall repeated impacts play an important role in the destruction of the shed-tunnel structure, and the special attention should be paid to this issue.

Every country has a different philosophy of education, which in contemporary China manifests itself in ideological guidance at all levels and in all types of schools. China's education has entered a new era, but ideological and political education is still needed in schools and colleges, and its core interest is to cultivate newcomers of the times who can take on the important task of national rejuvenation; in other words, the education sector has to ensure the sustainability of the cultivation of talents as well as the sustainability of socialist development. In this context, ideological and political education has initiated a triple spatial shift, i.e., from classroom space to cyberspace, from physical space to virtual space, and from campus space to social space. The triple spatial transfer has a profound historical logic, which is the inevitable process of the continuous development of ideological and political education itself, and the historical convergence of the Party's proposition, people's expectation and social development in this era. The requirements of the external situation, the needs of internal development, and the needs of the political task constitute the direct reality of the triple spatial transformation. The future direction of the spatial transformation of ideological and political education will be reflected in the intersection of subject and space, the collision of individuality and commonality, and the fusion of unity and diversity.

The real-time input of ground motions can effectively assess earthquake disasters in building structures. In this study, we proposed a nearby real-time simulation method that can be applied to assess regional earthquake disasters using structural monitoring recordings based on an urban earthquake simulation system. Real-time accelerations recorded during the 5.1 magnitude Tangshan earthquake were used to update and modify the computing models. El Centro waves were calibrated to 400 cm/s2 for structural seismic resilience analyses. The results indicated that approximately 70% of the structural functions were lost during rare earthquakes. Regional numerical models of 216 buildings were constructed and timeously updated using the Geographic Information System and measured data. The inputting ground motions recorded in the 5.1 magnitude Tangshan earthquake and typical El Centro waves were selected to analyze the structural seismic response, in which the damage indexes were computed, and the damage predictions of regional 216 buildings were also simulated in different levels of earthquakes by being combined with the simplified principles of structural damage estimation. Finally, the evaluation results were visualized in three dimensions using ParaView software. The simulated results of earthquake disasters at an urban scale will promote the prediction abilities of local earthquake administration agencies and have considerable potential to provide essential information for emergency responses and regional disaster mitigation.

Recent studies have shown correlations between the microbiota's composition and various health conditions. Machine learning (ML) techniques are essential for analyzing complex biological data, particularly in microbiome research. ML methods help analyze large datasets to uncover microbiota patterns and understand how these patterns affect human health. This study introduces a novel approach combining statistical physics with the Monte Carlo (MC) methods to characterize bacterial species in the human microbiota. We assess the significance of bacterial species in different age groups by using notions of statistical distances to evaluate species prevalence and abundance across age groups and employing MC simulations based on statistical mechanics principles. Our findings show that the microbiota composition experiences a significant transition from early childhood to adulthood. Species such as Bifidobacterium breve and Veillonella parvula decrease with age, while others like Agathobaculum butyriciproducens and Eubacterium rectale increase. Additionally, low-prevalence species may hold significant importance in characterizing age groups. Finally, we propose an overall species ranking by integrating the methods proposed here in a multicriteria classification strategy. Our research provides a comprehensive tool for microbiota analysis using statistical notions, ML techniques, and MC simulations.

Monitoring and protecting flowing watercourses is a complex and challenging task that requires the collaboration and coordination of various stakeholders such as governments, industries, farmers, consumers and environmental groups. The study of the dynamics of the concentration of polluting factors and especially the concentrations of heavy metals and highlighting a seasonal variation is a necessary element from this point of view. In this article, we present the results of our analyzes carried out in two measurement campaigns executed in 10 monitoring points along the Danube River, between Braila city and Isaccea city in the pre-deltaic area, during the summer season and autumn season 2022. The importance of this area is given by the fact that the Dan-ube Delta is part of the UNESCO heritage and the monitoring of polluting factors is a necessity in the desire to protect this area. The data measured during the July and August 2022 campaign co-vers a wide range of chemical species: Phosphate, CCO, CBO5, NH4+, N-NO2, N-NO3-, N-Total, P-PO4 3-, SO42-, Cl-, phenols, as well as metals with a harmful effect: Aluminum, Arsenic, Cad-mium, Chromium, Iron. The study includes an evaluation based on the statistical approach of the results to highlight the significant correlations and differences identified between the two data sets. Next, to highlight the obtained results, a numerical model was considered using HEC-RAS and ESRI ArcGis applications in a two-dimensional unsteady flow model in order to get the non-homogenous concentrations’distributions in the studied area. These two-dimensional models have been less studied in the specialized literature. In this way, interesting results could be ob-tained and prediction methods regarding the dynamics of metal concentrations could be struc-tured. The data obtained was used for the terrain model from the USGS service and the flows of the Danube and its two tributaries were simulated using the data provided by the national ser-vices. In this work, we present the results obtained for the dynamics of the concentrations of the metals Aluminum, Arsenic, Cadmium, Chromium and Iron and the evaluation of the specific ab-sorption coefficients for the explanation and correlation with the results of the measurements. The study is part of a more complex project in which the spatio-temporal distribution of the polluting factors in the water was evaluated and the habitats in the study area were inventoried - especially those of community interest. the aspects related to the influence of the distribution of polluting factors on the state of health will be the subject of another article.

An H-bond involves the sharing of a hydrogen atom between an electronegative atom to which it is covalently bound (the donor) and another electronegative atom serving as an electron acceptor. Such bonds represent a critically important geometrical force in biological macromolecules and, as such, have been characterized extensively. H-bond formation invariably leads to a weakening within the acceptor moiety due to the pulling exerted by the donor hydrogen. This phenomenon can be compared to a spring connecting two masses; pulling one mass stretches the spring, similarly affecting the bond between the two masses. Herein, we describe the opposite phenomenon when investigating the energetics of the C-H...O=C bond. This bond underpins the most prevalent protein transmembrane dimerization motif (GxxxG) in which a glycine C-H on one helix forms a hydrogen bond with a carbonyl in a nearby helix. We use isotope-edited FT-IR spectroscopy and corroborating computational approaches to demonstrate a surprising strengthening of the acceptor C=O bond upon binding with the glycine C-H. We show that electronic factors associated with the C-H bond strengthen the C=O oscillator by increasing the s-character of the -bond, lowering the hyperconjugative disruption of the -bond. In addition, a reduction of the acceptor C=O bond’s polarity is observed upon the formation of the C-H...O=C bond. Our findings challenge the conventional understanding of H-bond dynamics and provide new insights into the structural stability of inter-helical protein interactions.

The production of Moringa oleifera capsules has emerged as a promising agricultural activity in Mexico, driven by the plant’s well-documented health and nutritional benefits. In response, farmers have begun producing Moringa oleifera as a dietary supplement, using artisanal methods with minimal production controls. This study aimed to estimate the processing times of the Moringa oleifera production system using simulation modeling with Arena® software, and to evaluate the economic feasibility of capsule production. Methodologically, it was approached as a case study in the state of Veracruz, processing times were estimated through systematic sampling and modeled with Arena simulation software. Three simulation scenarios were considered to select a technically and economically viable alternative for agricultural producers: one with a 200-capsule encapsulator (1E200C), another with two 200-capsule encapsulators (2E200C) and a third with an 800-capsule encapsulator (1E800C). For the initial diagnosis a research stay was conducted for 180 days, and the production capacity was set at 24,000 capsules due to raw material limitations. Results indicated that the 1E800C scenario reduced processing time by 60% compared to the1E200C scenario, and by 35% compared to the 2E200C scenario. Additionally, the 1E800C model required only 2 days (16 hours) of work, while the 2E200C required 4 days (32 hours), and the 1E200C required 7 days (56 hours). In terms of production costs per unit of 90 capsules, the 1E200C was 3.93 USD the 2E200C 3.64 USD and the 1E800C 3.45 USD The study concluded that due to raw material limitations, the company can produce 12,800 units per year of 90 capsules. It is recommended to adopt the 1E800C encapsulator, which would lower overall production costs by 12.23%, representing 0.48 USD per unit produced, resulting in an additional profit of 6,150.50 USD Over a five-year evaluation period, the benefit-cost ratio was 5.03, the NPV was 922,370.11 and the IRR was 42.09%, indicating that this type of agribusiness in Mexico is both technically and economically feasible.

Accurate traffic simulation models play a crucial role in developing intelligent transport systems that offer timely traffic information to users and efficient traffic management. However, calibrating these models to represent real-world traffic conditions accurately poses a significant challenge due to the dynamic nature of traffic flow and the limitations of traditional calibration methods. This article introduces a machine learning-based approach to calibrate macroscopic traffic simulation models using real-time traffic video stream data. By leveraging computer vision technologies to extract key traffic parameters from video streams, the approach demonstrated a notable improvement in aligning the generated data from the calibrated simulation model with car sensor data, achieving an average improvement of over 50% compared to the uncalibrated macroscopic model. Moreover, there was a substantial reduction in data drift for the machine learning model integrated into the virtual transport space using vehicle-to-everything technology, resulting in a more than fourfold decrease in the average absolute error of the model.

Wind turbines (WTs) are clean a renewable energy source that has been growing in popularity in recent years. Gearboxes are complex, expensive, and critical components of WT, which are subject to high maintenance costs and several stresses including high loads and harsh environments that can lead to failure with significant downtime and financial losses. This paper focuses on the development of a digital twin-based approach for the modelling and simulation of WT gearboxes with the aim to improve their design, diagnosis, operation, and maintenance by providing insights into their behavior under different operating conditions. Pow-erful commercial computer-aided design tools (CAD) and computer-aided engineering (CAE) software are embedded into a computationally efficient multi-objective optimization framework (modeFrontier) with the aim of maximizing the power density, compactness, performance, and reliability of the WT gearbox. This entails minimizing its weight, volume, and maximum stresses and strains achieved without compromising efficiency. The 3D CAD model of the WT gearbox is carried out using SolidWorks, the Finite Element Analysis (FEA) to obtain the stresses and strains fields are modelled using Ansys Workbench, while the multibody kinematic and dynamic system is analyzed using MSC Adams. The method has been successfully applied to different case studies to find the optimal design and analyze the performance of the WT gearboxes. Simulation results can be used to identify potential failure modes and optimize gearbox design to improve performance, extend service life and relia-bility, thereby ensuring proper operation over its lifetime and reducing maintenance costs.

Supramolecular solvent (SUPRAS) has received increasing interest as an innovative, efficient, and green solvent for the effective extraction and separation of bioactive compounds from natural resources. However, studies on the use of SUPRAS for the extraction of phenolic components from plants, which are highly valued in food products due to their excellent antioxidant capacity, are still lacking. The present study developed a green ultrasound-assisted and efficient SU-PRAS method to simultaneously determine three phenolic acids in Prunella vulgaris by high-performance liquid chromatography (HPLC) and the experimental parameters were optimized in detail. The efficiency and antioxidant properties of the phenolic compounds obtained by different extraction methods were also compared. Under the optimal conditions, the extraction efficiency of SUPRAS, prepared with octanoic acid reverse micelles dispersed in ethanol-water, was substantially higher than conventional organic reagents. Moreover, this SUPRAS method also showed more significant antioxidant capacities. The confocal laser scanning microscopy (CLSM) images presented the spherical droplet structure of SUPRAS (A well-defined circle), which coincided with the position of the fluorescence position of phenolic acids. The phenolic acids were encapsulated in the vesicles by the SUPRAS droplets, which indicated the efficient extraction capacities of SUPRAS for the target compounds. Finally, combined with the CLSM method, the mechanism of the proposed method was further clarified, and the superior extraction performance of SUPRAS was theoretically demonstrated through molecular dynamics simulations. In comparison with conventional methods, the higher extraction efficiency of SUPRAS can be illustrated by the larger solvent contact surface area, more types of hydrogen bonds between extractants and supramolecular solvents, and stronger and more stable interaction forces. The results of the theoretical studies are in rational agreement with the experimental outcome.

The assessment of existing bridges constitutes a serious challenge for the researchers since their safety evaluation is a complex task due to several sources of uncertainty affecting the parameters identified in the knowledge process. In particular, a high level of uncertainties may arise in the case of prestressing systems requiring special investigation strategies and experimental technologies. The paper aims to investigate how the knowledge uncertainties influence the safety assessment of existing post-tensioned bridges. The semi-probabilistic approach is used, and uncertainties related to the knowledge process are described considering the number of tests, the confidence level assumed for the estimation of the problem parameters, and the measurement errors of in-situ tests. Results concerning a typical post-tensioned bridge are reported and the variability of the outcomes is discussed and compared with a reference case of “perfect knowledge”. The main results of the study confirm the general robustness of the semi-probabilistic Eurocodes safety format and provide an overview of dispersion due to different choices about the number of tests and confidence level. The measurement errors may lead to significant under-estimation of the computed structural capacity with respect to the reference one.

This work presents a heat transfer and boiling model that computes the evolution of the temperature field in a representative steel workpiece quenched from 850 or 930°C by immersion in water flowing at average velocities of 0.2 or 0.6 m/s, respectively. Under these conditions, all three boiling regimes were present during cooling: stable vapor film, nucleate boiling, and single-phase convection. The model was based on the numerical solution of the heat conduction equation coupled to the solution of the energy and momentum equations for water. The mixture phase approach was adopted using the Lee model to compute the rates of water evaporation-condensation. Heat flux at the wall was calculated for all regimes using a single semi-mechanistic model. Therefore, evolution of boiling regimes at every position on the wall surface was automatically determined. Predictions were validated using laboratory results, namely: a) Videorecording the upward motion of the wetting front along the workpiece wall surface, and b) cooling curves obtained with embedded thermocouples in the steel probe. Wall heat flux calculations were used to determine the importance of the simultaneous presence of all three boiling regimes on the heat flux distribution. It was found that this simultaneous presence leads to high heat flux variations that should be avoided in production lines.

Salmonella causes various type of disease worldwide with a remarkable pace. Salmonella enteric serotype typhi (S. typhi), a gram-negative bacterium (only cause disease in man) is the mainly causative agent of Typhoid fever. Typhoid fever is most common in poor and unprivileged developing countries of Asia and Africa. One of the major components of virulence factors produced during salmonella infection is Lipid A, which acts as a potent human immuno-modulator bacterial endotoxin. Regulation of Lipid A biosynthetic pathway occurs at second step, catalyzed by LpxC, a Zn2+ dependent metalloamidase. Systematic Screening of a pool of drug datasets like natural products library from Zinc database, Asinex database, Thiophene analogues fruitfully provided us 3 potent lead molecules s1_dl_mseq2, s1_ll_mseq2, and s2_ll_mseq8 which actively binds with LpxC enzyme and could be developed into sound inhibitors of LpxC enzyme after the application of drug development and processing strategies. Wet lab experimentation is required to validate these results for further use.

The concrete sector is known for its significant contribution to the CO2 emissions. There are two main contributing factors for this situation: the large amount of concrete consumed per year on the planet and the high CO2 released from Portland cement manufacture, the key binding agent in concrete. To face the consequent sustainability issues, diverse strategies have been explored on the carbon capture and storage potential of cementitious materials. This paper addresses the potential of storing CO2 in concrete during the curing stage, applied to the precast Portuguese industry. To this purpose, it was assumed that CO2 will become a waste that will require an outlet in the future, considering that carbon capture will become mandatory in many industries. This work concluded that the net benefit in terms of carbon retention is positive for the process of storing carbon in concrete during the curing stage. More specifically, it was demonstrated that the additional emissions from the introduction of this new operation are only 10% of the stored amount, returning a storage potential of 76 000 tonnes of CO2 yearly. Moreover, the overall net reduction in the concrete life cycle averages 9.4% and 8.8% for precast elements and only non-structural elements, respectively. When a low cement dosage strategy is coupled with carbonation curing technology, the overall carbon net reduction is estimated to be 45%.

To investigate the variation patterns of spectral characteristics of main branches in fruit trees due to uneven distribution of growth, pruning, and fruit quality, as well as to determine the optimal fruit vi-bration harvesting, a vibration differential model of tree branches was constructed using the concen-trated mass method. A three-dimensional model of the fruit tree was built using finite element software. The spectral characteristics of each branch were obtained using the linear sweep frequency method. The method of changing the mass of each branch was employed to simulate the variation in branch mass. The frequency of occurrence, mean acceleration, and coefficient of variation of the inherent frequencies were used as evaluation indicators. The results revealed that when the vibration frequency of the fruit tree was at the peak frequency in the tree trunk spectrum, the frequency of occurrence and mean accel-eration were optimal. And the coefficient of variation of branch acceleration was less than 1, indicating a moderate dispersion. Additionally, reducing the branch mass resulted in an increase in the peak fre-quency of the tree trunk spectrum. Therefore, the growth, pruning, and uneven distribution of the branches in fruit trees can alter the spectral characteristics. When harvesting fruit by vibration, selecting the peak frequency in the trunk vibration spectrum as the excitation force frequency yields the best fruit detachment.

The effects of the coolant pulsation and the film cooling with the plasma aerodynamic actuation (PAA) could be herein explored via large eddy simulations. The electrohydrodynamic force derived from the PAA was solved through the phenomenological plasma model. The Strouhal number of the sinusoidal coolant pulsation and the averaged pulsation blowing ratio were 0.25 and 1.0, respectively. Comprehensive analyses were carried out on the time-averaged flow fields, and the results revealed that the pulsed cooling jet might cause a deeper penetration into the crossflow, and this phenomenon could be remarkably mitigated by the downward force of the PAA. Furthermore, because of the coolant pulsation, the counter rotating vortex pair (CRVP) expanded to lifted off the wall less well, and the PAA lessened the negative lift-off impact and entrapment from the CRVP. Then, the spatial-temporal development of the coherent structures was figured out by the alterations of the centerline temperature, reflecting formation of the intermittent coherent structures rather than hairpin vortices due to the coolant pulsation, and their size and upcast behaviors were reduced by the PAA. Consequently, there was a basic suppression of the turbulent mixing of the cooling fluid with the crossflow. Finally, the three-dimensional streamlines confirmed that the coherent structure dynamic behaviors were significantly regulated by the PAA for alleviating the adverse influences of the coolant pulsation. In summary, through controlling how the dominating coherent structures evolve throughout time and space, the PAA can effectively increase the pulsed film cooling efficiency.

Recently, the Third Generation Partnership Project (3GPP) introduced the New Radio (NR) technology for Vehicle-to-everything (V2X) communication to enable delay-sensitive and bandwidth-hungry applications in vehicular communication. The NR system is strategically crafted to complement the existing Long Term Evolution (LTE) Cellular-Vehicle-to-Everything (C-V2X) infrastructure, particularly to support advanced services such as the operation of automated vehicles. It is widely anticipated that the 5th generation (5G) NR system will surpass LTE C-V2X in terms of achieving superior performance in scenarios characterized by high throughput, low latency, and enhanced reliability, especially in the context of congested traffic conditions and a diverse range of vehicular applications. This article will provide a comprehensive literature review on vehicular communications from Dedicated Short Range Communication (DSRC) to NR V2X. Subsequently, it delves into a detailed examination of the challenges and opportunities inherent in NR V2X technology. Finally, we proceed to elucidate the process of creating and analyzing an open-source 5G NR V2X module in network simulation-3 (ns-3) and then demonstrate the NR V2X performance in terms of different key performance indicators implemented through diverse operational scenarios.

Disassembly is a pivotal technology to enable the circularity of electric vehicle batteries by applying circular economy strategies that extend the life cycle of their components, like remanufacturing and repurposing, or by using efficient recycling to reintegrate the gained materials in producing new battery systems. This paper aims to develop a multi-method self-configuring simulation model for investigating disassembly scenarios while considering the battery design as well as the configuration and layout of the disassembly station. We demonstrate the developed model in a case study using a battery of Mercedes-Benz and the automated disassembly station of the project DeMoBat at Fraunhofer IPA. Furthermore, we introduce two disassembly scenarios, the component-oriented and the accessibility-oriented disassembly, and compare them using the simulation model to determine several indicators, such as the frequency of tool change, the number and distribution of robot routes, the tool utilization, and the disassembly time.

Exposure to quasi-electrostatic field induced currents is a hazard of live-line transmission work. These steady-state induced currents are typically less than 1 mA, and their sensory effects range from imperceptible to painful depending on the person and conditions such as contact area and duration. Permanent injury from these currents is unlikely but they can distract workers, increasing the risk of injury from falls or other dangers. Identifying contact current severity and training workers can help reduce risk of accidents. Measuring induced currents along a climbing route is time consuming and simulation is challenging because of geometric complexity of the worker, transmission structure, conductor bundles, and electric fields in the climbing space. This research explores calculation of worker contact current using a recently developed adaptation of the charge simulation method. The method uses Fourier principles to improve computational efficiency when explicitly modeling all bundle subconductors. The research also examines reasonable simplifications for modeling lattice structures and human geometry. Calculated results compare well to measured currents for a worker climbing a 400 kV lattice structure. This indicates the method is a practical option for calculating the severity of steady-state contact currents. A simple calculation is suggested for estimating these currents.

A clinical simulation web-based program, known as FIRST2ACT (Feedback Incorporating Review and Simulation Techniques to Act on Clinical Trends) is designed to increase the efficacy of cli-nicians’ actions in the recognition and immediate response to a patient’s deterioration. This study, which was nested in a larger mixed method project, used ten focus groups (n=65) of graduate, enrolled, registered nurses, Associate Nurse Unit Managers, and general manag-ers/educators/coordinators from four different institutions to investigate whether nurses felt their practice was influenced by participating in either a face-to-face or web-based simulation educa-tional programme about patient deterioration. Results indicate individuals who were less ‘tech-savvy’ appreciated the flexibility of web-based learning, which increased their confidence. Face-to-face students appreciated self-reflection through performance evaluation. While face-to-face simulations were unable to completely duplicate symptoms, they did show nurses' adaptability. Both interventions enhanced clinical practice by improving documentation and re-plies while also boosting confidence and competence. Web learners initially experienced tech-related anxiety, which gradually subsided, demonstrating healthcare professionals' resilience to new learning approaches. Overall, the study highlighted the advantages and challenges of web-based and face-to-face education in clinical practice, emphasising the importance of adapta-bility and reflective learning for healthcare professionals. Further exploration of specific topics is required to improve practice, encourage knowledge sharing among colleagues, and improve early detection of patient deterioration.

The objective of this study was to apply simulation and computational intelligence techniques using artificial intelligence and genetic algorithm for economic and environmental optimization of the reverse network (manufacturers, waste managers and recyclers in São Paulo, Brazil) of waste electrical and electronic equipment (WEEE) to promote circular economy. For the economic evaluation, the reduction of: fuel, drivers, insurance, depreciation, maintenance and charges was considered and for the environmental evaluation, the environmental impact was measured in the abiotic, biotic, water, land, air and greenhouse gases compartments. It is concluded that the optimized structure of the WEEE reverse chain for São Paulo, Brazil reduced the number of collections, making the most of the cubage. It also generated economic and environmental gains, contributing to the strategic actions of the circular economy. Thus, the proposed simulation allows replication in organizational practice, mainly to meet the 2030 agenda on reducing the carbon footprint generated in transport in large cities. Thus, this study can guide companies on structuring the reverse WEEE chain in São Paulo, Brazil for economic and environmental optimization, a relevant aspect considering the exponential generation of WEEE, requiring the implementation of the national solid waste policy, and subsequently the signature of the electronics sector agreement in São Paulo.

In the field of robotics education, introductory courses would ideally utilize heavy industrial arms for hands-on learning. This would provide students with valuable experience in joint programming, which involves direct control of each joint motor in the arm to accomplish desired path planning and differential movements. This practice requires consideration of the physical dynamics of the arm. However, the use of heavy industrial arms has several drawbacks. They are large and expensive, require specialized maintenance, can pose safety risks, and they typically do not allow for direct control of the joint motors. One solution is to use a small, lightweight, toy-like arm. While these are cost-effective and provide direct access to the joint motors without posing safety risks, their lightweight construction means they exhibit minimal dynamic behavior, which limits their educational value. Another solution involves a robotic arm simulator that uses a virtual arm. However, a virtual arm doesn't offer the same level of hands-on engagement and excitement as a physical arm. We propose a hybrid solution that combines a small physical arm with a virtual arm. This approach provides students with the experience of working with an industrial arm, but without the associated difficulties. We demonstrate how this approach successfully improved the completion rate of joint programming assignments, offering a promising solution for practical robotics education.

In this work we explore the utilization of plasmonic resonance (PR) in silver nanowires to enhance the performance of organic solar cells. Plasmonic resonance is a phenomenon in which nanoscale conductive materials exhibit oscillation of conduction electrons, resulting in the creation of an electric field. Enhancing light absorption is crucial for improving organic solar cell efficiency and incorporating metallic nanostructures to induce surface plasmon resonance (SPR) shows promise in achieving this goal. We discuss the two key mechanisms of plasmonic effects: far-field scattering and near-field resonance modes. Far-field scattering extends the optical path of incident light, while near-field plasmonic effects involve localized surface plasmon resonance (LSPR) and plasmonic cavity modes, enhancing absorption by strengthening electric fields near the nanostructures. Silver nanowires are the focus of this study, and finite-difference time-domain (FDTD) simulation software is used to investigate their plasmonic resonance behavior in a ZnO/Silver nanowires/ZnO (ZAZ) electrode structure. The simulations reveal the dominance of LSPR in this configuration, with intense electric fields inside the nanowire and propagation into the surrounding medium, offering opportunities for enhanced light absorption in the organic solar cell's active layer.

This work proposes a methodological approach applied to ephemeral gravel-bed streams to verify the change in the magnitude and frequency of hydrological events affecting the morphological dynamics and sediment budget in this type of channel. For the case study the Azohía Rambla, located in southeastern Spain, was chosen, emphasizing the research on two reference riverbed sections (RCRs): an upper one, with a predominance of erosion, and a middle one, where processes of incision, transport, and deposition converge. First, this approach focuses on relationships between peak discharges and sediment budgets during the period 2018 to 2022. For this purpose, water level measurements from pressure sensors, a One-Dimensional Hydrodynamic model, and findings from comparative analyses of high-resolution differential digital elevation models (HRDEM of Difference - HRDoD) based on SfM-MVS and LiDAR datasets were used. In a second phase the GeoWEPP model was applied to the period 1996-2022 in order to simulate runoff and sediment yield at the event scale for the watersheds draining into both RCRs. During the calibration phase a sensitivity analysis was carried out to detect the most influential parameters in the model and to confirm its capacity to simulate peak flow and sediment delivery in the area described above. Values of NS (Nash-Sutcliffe efficiency) and PBIAS (percent bias) equal to 0.86 and 7.81%, respectively, were found in the calibration period, while these indices were 0.81 and -4.1% in the validation period. Finally, different event class patterns (ECPs) were established for the monitoring period (2018-2022), according to flow stage and morphological channel adjustments (overtopping, bankfull and sub-bankfull, and half-sub-bankfull), and then retrospectively extrapolated to stages of the prior simulated period (1996-2018) from their typical sequences (PECPs). The results revealed a significant increase in the number of events and PECPs leading to lower bed incision rates and higher vertical accretion, which denotes a progressive increase in bed armoring and bank erosion processes.

China is rich in coal resources under water bodies. However, for a long time, the safety prediction of high-intensity mining under water bodies is one of the problems encountered by the coal industry. It is of great significance to realize safe mining under water bodies, improve the recovery rate of coal resources and protect reservoir resources. Therefore, this article takes the No. 5 coal seam and No. 11 mining area of Wangwa Coal Mine as the research object, and integrates physical simulation, numerical simulation, theoretical analysis and other methods to study the development height of water-conducting fracture zones in fully mechanized top coal caving mining. Solid-liquid coupling physical simulation test reveals the failure characteristics of overlying strata in goaf and the seepage law of reservoir water under the influence of mining. By comparing the monitoring data of borehole leakage, the measured data obtained by borehole peeping with the height data of water-conducting fracture zone obtained by the traditional empirical formula of three-under standard, the error between the two is as high as -29.39 %. In this case, the variance correction coefficient is used to correct the empirical formula, and on this basis, in order to effectively protect the surface water dam and water body, the mining height of coal seam in the working face with limited height mining is inversely derived. The research results provide a basis for the safety prediction of high-intensity mining under the reservoir dam in the ecologically fragile areas of western China and provide a scientific guarantee for the formulation of safety measures under such conditions.

Autonomous vehicles (AVs) may not only reduce parking demand, but also free up on-street parking spaces. From the perspective of bus priority, converting on-street parking lots into dedicated bus lanes can both ensure bus priority and accommodate non-bus traffic, helping to reduce congestion and pollution. In order to study the impact of conversion of on-street parking lots to bus lanes on traffic flow, a microscopic simulation framework based on VISSIM is proposed in this paper. Data was collected using the floating car method and video recording method to quantify the factors affecting traffic flow due to the conversion of on-street parking. The VISSIM simulation model was then calibrated. According to the proportion of the on-street parking lots into a bus lane, the on-street parking lots conversion simulation model of different scenarios was established, and the influence of different on-street parking lots conversion ratio on traffic efficiency and pollution emission was quantitatively analyzed. Finally, the optimization method based on bus lane network connectivity is discussed. The results indicate that: When the on-street parking lots conversion ratio is approximately 100%, bus speed increases by 21.03%, bus delays decrease by 14.27%, and bus parking instances decrease by 11.31%. Total emissions are negatively correlated with vehicle speed. As the conversion rate of on-street parking increases, the emissions of road segments and the entire road network gradually decrease. At a conversion ratio of 100%, the average total emissions for road segments have the highest reduction rate, decreasing by 4.12%. At a conversion ratio of 50%, the average emission total for the road network shows the largest reduction, falling by 2.88%.

The goal of this lab is to look at how the characteristics of cementitious materials are affected by bending loads combined with dry and wet cycles of sulfate. In this paper, three sets of specimens with different water–cement ratios were designed. This study applied 20% and 40% of the ultimate bending load as a continuous bending load to the cementitious material specimens for a sulfate erosion test. It was discovered that the specimens' porosity, flexural strength, and compressive strength all tended to improve initially before declining as the cementitious material was degraded in the sulfate solution aged. The flexural strength of the cementitious materials declined as the bending load increased, and their internal sulfate ion concentration rose. A transport model of sulfate ions in cementitious materials under the coupling effect of bending load and sulfate erosion was created by combining the improved version of Fick’s second law and chemical reaction kinetics. The simulation results show that the ion transport properties of sulfate ions in cementitious materials are in accordance with the experimental laws. These research results formed the basis of the unified standards for the coupling of load dry and wet cycle systems, as well as evaluating the durability of cementitious materials under corrosive environments.

The foundation for accurately understanding regional land-use structures and pursuing the coordination of human–land relations is the scientific identification and simulation of temporal and spatial evolution patterns of land-use spatial conflict (LUSC). Taking the Yimengshan Geopark (YG) as an example, based on the productional–living–ecological space (PLES) perspective, which constructs a land-use spatial conflict identification and intensity diagnosis model (LUCSII) using the landscape ecology index. We apply geographic information system (GIS) and other methods to achieve the spatial pattern of LUSC over the last 20 years, and we use the GMOP–Markov–PLUS model to simulate the evolution of LUSC in the future under various scenarios. From 2000 to 2020, the LUSC values in the YG were mainly stable and controllable, with mild conflict, while the areas of severe conflict were mainly concentrated in the central urban area of Mengyin County and in low and flat terrain areas such as southern Bailin Town. The LUSC in the YG showed a significant positive spatial correlation, and spatial agglomeration is gradually strengthening. The high–high clusters are found in contiguous areas at the junction of Changlu Town, Gaodu Town, and Mengyin Street, as well as in the southern hilly areas. The low–low clusters were concentrated in Yedian Town, Daigu Town inarea north of the study, and areas surrounding Yunmeng Lake Wetland Park. In the next ten years, the ecological priority scenario (EPD) and sustainable development scenario (ESD) will both be reasonable options for easing and controlling LUSC in YG. Local governments and park management bureaus should determine the three lines and three zones based on the needs of social and economic development, particularly the boundary red line for construction land growth, and plan production and living spaces to alleviate land-use conflicts and stabilize the land-use system. Regional ecological security can be maintained, and future deterioration of the park’s ecological environment avoided, by performing well in terms of ecological isolation.

Solid asperity interactions are common and inevitable under severe loading conditions for any lubricated contact. Heavy-duty machine components (gear, bearings etc.) generally operate under Mixed Lubrication, where uneven surface features contact each other when generated fluid pressure is not enough to support the external load. The Reynolds equation is commonly used to simulate smooth lubricated contacts numerically. In rough lubricated interfaces where opposite surface asperities make contact, the Reynolds equation alone cannot accurately predict pressure using the traditional numerical simulation method. In this paper, Lubrication-Contact interface conditions (LCICs) have been implemented and extended to solve the multiple asperity contact problem using the full-multigrid approach. The developed novel algorithm has significantly accelerated the solution process and improved the accuracy and efficiency of pressure calculation for fluid-solid sub-interactions that can occur under ML regions. The Finite Difference Method (FDM) results have been compared with Computational Fluid Dynamics (CFD) simulation to validate the newly developed model. Hence, the proposed optimized solution method will provide valuable insight to researchers and industry engineers interested in simulating the ML problem where the effect of the fluid-solid interface can be captured effectively to improve reliability in the calculation of the life expectancy of the lubricated parts.

Cardiogenic shock (CS) is part of a clinical syndrome consisting of acute left ventricular failure causing severe hypotension leading to inadequate organ and tissue perfusion. The most com-monly used devices to support patients affected by CS are Intra-Aortic Balloon Pump (IABP), Impella 2.5 pump and Extracorporeal Membrane Oxygenation. The aim of this study is the com-parison between Impella and IABP using CARDIOSIM© software simulator of the cardiovascular system. The results of the simulations included baseline conditions from a virtual patient in CS followed by IABP assistance in synchronized mode with different driving and vacuum pressures. Subsequently, the same baseline conditions were supported by the Impella 2.5 with different ro-tational speeds. The percentage variation with respect to baseline conditions was calculated for hemodynamic and energetic variables during IABP and Impella assistance. Impella pump driven with a rotational speed of 50000 rpm increased the total flow by 4.36% with a reduction in left ventricular end diastolic volume (LVEDV) by ≅15% to ≅30%. A reduction in left ventricular end systolic volume (LVESV) by ≅10% to ≅18% (≅12% to ≅33%) was observed with IABP (Impella) as-sistance. Taking into account the limitations of a simulation setting, this study highlights that assistance with the Impella device leads to higher reduction in LVESV, LVEDV, left ventricular external work and left atrial pressure-volume loop area compared to IABP support.

In the development of the safety-critical systems, it is important to perform Failure Modes and Effects Analysis (FMEA) process to identify potential failures. However, traditional FMEA activities tend to be considered difficult and time-consuming tasks. To compensate for the difficulty of the FMEA task, various types of tools are used to increase the quality and the effectiveness of the FMEA reports. This paper explains an Automatic FMEA tool which integrates the Model-based Design (MBD), FMEA, and Simulated Fault Injection techniques in a single environment. The Automatic FMEA tool has the following advantages compared to the existing FMEA analysis tool. First, the Automatic FMEA tool automatically generates FMEA reports compared to the traditional spreadsheet-based FMEA tools. Second, the Automatic FMEA tool analyzes the causality between the failure modes and the failure effects by performing model-based fault injection simulation. In order to demonstrate the applicability of the Automatic FMEA, we used the electronic fuel injection system (EFI) Simulink model. The results of the Automatic FMEA were compared to that of the legacy FMEA.

The past two decades have witnessed the introduction of and then a steady increase in the use of computational techniques in the study and development of molecularly imprinted polymers (MIPs). Molecular dynamics (MD) based studies have had a significant role in this development as they can provide insights concerning the mechanisms governing the molecular level events underlying MIP synthesis and MIP-ligand interactions and can be used for the identification of preferred monomer compositions and for the prediction of MIP properties. We here review the role that MD has played in the development of molecular imprinting and examine the different types of MD strategies that have been used, including their advantages and challenges. Recent trends in the application of MD to the study of MIPs are presented, along with a perspective on the future importance of MD-based studies for the development of molecular imprinting science and technology.

The risk related to embankment dam breaches needs to be evaluated in order to prepare emergency action plans. The physical and hydrodynamic parameters of the flood wave generated from dam-failure event correspond to various breach parameters such as width, slope and formation time. This study aimed to simulate dam-breach failure scenario of Yabous dam (NE Algeria) and analyze its influence on areas (urban and natural environments) downstream the dam. The simulation was completed using the sensitivity analysis method in order to assess the impact of breach parameters on the dam-break scenario. The propagation of flood wave associated to dam-break was simulated using the one-dimensional HEC-RAS hydraulic model. This study ap-plied a sensitivity analysis of three breach parameters (slope, width, and formation time) in five sites selected downstream the embankment dam. The simulation showed that the maximum flow of the flood wave recorded at the level of the breach was 8768 m3/s, which gradually attenuated along the river course to reach 1579.2m3/s at about 8.5km downstream the dam. This study estab-lished the map of flood-prone areas that illustrated zones threatened with the flooding wave trig-gered by the dam failure due to extreme rainfall events. The sensitivity analysis showed that flood wave flow, height and width revealed positive and similar changes for the increase in adjustments (±25% and ±50%) of breach width and slope in the 5 sites. However, flood wave parameters of breach formation time showed significant trends that changed in the opposite direction compared to breach slope and width.

The presented results of simulations take into account the optical parameters of the selected sea region (from literature data on the southern Baltic Sea) and two optically extreme types of crude oil (from historical data) which exist in the form of a highly diluted oil-in-water emulsion (10 ppm). The spectral index was analyzed based on the results of modelling the radiance reflectance distribution for almost an entire hemisphere of the sky (zenith angle from 0 to 80o). The spectral index was selected and is universal for all optically different types of oil (wavelengths 650 and 412 nm). The possibility of detecting pollution in the conditions of the wavy sea surface (as a result of wind of up to 10 m/s) was studied. It has been also shown that if the viewing direction is close to a direction perpendicular to the sea surface, observations aimed at determining the spectral index are less effective than observation under the zenith angle of incidence of sunlight for all azimuths excluding the direction of sunlight specular reflection.

In light of the self-simulation hypothesis, a simple form implementation of the principle of efficient language is discussed in a self-referential geometric quasicrystalline state sum model in three dimensions. Emergence is discussed in context of geometric state sum models.

This research aims to find out whether the synthetic 1, 2, 4-triazine and its derivatives have antifungal effects and can protect humans from infection with Candida albicans. Molecular docking and molecular dynamic simulation are widely used in modern drug design to target a We are interested in using molecular docking and molecular dynamics modelling to investigate the interaction between the derivatives of 1, 2, 4-triazine and the resulting lanosterol 14 - demethylase (CYP51) of Candida albicans The inhibition of Candida albicans CYP51 is the main goal of our research. The 1, 2, 4-triazine and its derivatives have been docked to the CYP51 enzyme, which is involved in Candida albicans Multidrug Drug Resistance (MDR). Autodock tools were used to identifying the binding affinities of molecules against the target proteins. Compared to conventional fluconazole, the molecular docking results indicated that each drug has a high binding affinity for CYP51 proteins and forms unbound interactions and hydrogen bonds with their active residues and surrounding allosteric residues. The docking contacts were made using a 10 ns MD simulation with nine molecules. RMSD, RMSF, hydrogen bonds, and the Rg all confirm these conclusions. In addition, these compounds were expected to have a favorable pharmacological profile and low toxicity. The compounds are being offered as scaffolds for the development of new antifungal drugs and as candidates for future in vitro testing.

Background: The gut microbiome plays a major role in chronic diseases, of which several are characterized by an altered composition and diversity of bacterial communities. Large-scale sequencing projects allowed characterizing the perturbations of these communities. However, translating these discoveries into clinical applications remains a challenges. To facilitate routine implementation of microbiome profiling in clinical settings, portable, real-time, and low-cost sequencing technologies are needed. Results: Here, we propose a computational and experimental protocol for whole genome quantitative metagenomics studies of human gut microbiome with Oxford Nanopore sequencing technology (ONT) that could be applied to other microbial ecosystems. We developed a bioinformatic protocol to analyse ONT sequences taxonomically and functionally and optimized pre-analytic protocols including stool collection and DNA extraction methods to maximize read length. This is a critical parameter for the sequence alignment and classification. Our protocol was evaluated using simulations of metagenomic communities which reflect naturally occuring compositional variations. Next, we validated both protocols using stool samples from a bariatric surgery cohort, sequenced with ONT, Illumina and SOLiD technologies. Results revealed similar diversity and microbial composition profiles. Conclusion: This protocol can be implemented in the clinical or research setting, bringing rapid personalized whole genome profiling of target microbiome species.

Keywords: underground engineering; numerical simulation; excavation length effect, major principal stress; displacement; damage initiation; CPU time

Virtual Reality(VR) is an emerging technology with a broad range of application in training, entertainment, and business. To maximize the potentials of virtual reality as a medium, the unwelcome feeling of simulation sickness needs to be minimized. Even with advancements in VR, the usability concerns are barriers for a wide-spread acceptance. Several factors (hardware, software, human) play a part towards a pleasant VR experience. The reviewed scientific articles are mostly part of documents indexed in digital libraries. In this paper, we review the potential factors which cause simulation sickness and minimize the usability of virtual reality systems. We review the best practices from a developer’s perspective and some of the safety measures a user must follow while using the VR systems from existing research. Even after following some of the guidelines and best practices VR environments do not guarantee a pleasant experience for users. Limited research in VR environments towards requirement specification, design, and development for maximum usability and adaptability was the main motive for this work.

Unsupported sleepers or void zones in ballasted tracks are one of the most recent and frequent track failures. The void failures have the property of intensive development that, without timely maintenance measures, can cause the appearance of cost-expensive local instabilities like subgrade damages. The reason of the intensive void development lies in the mechanics of the sleeper and ballast bed interaction. The particularity of the interaction is a dynamic impact that occur due to void closure. Additionally, void zones cause inhomogeneous ballast pressure distribution between the void zone and fully supported neighbour zones. The present paper is devoted studying the mechanism of the sleeper-ballast dynamic impact in the void zone. The results of experimental in-situ measurements of rail deflections showed the significant impact accelerations in the zone even for light-weight slow vehicles. A simple 3-beam numerical model of track and rolling stock interaction has shown the similar to the experimental measurements dynamic interaction. Moreover, the model shows that the sleeper accelerations are more than 3 times higher than the corresponding wheel accelerations and the impact point appear before the wheel enters the impact point. The analysis of ballast loadings shows the specific impact behaviour in combination with the quasistatic part that is different for void and neighbour zones, which are characterised with high ballast pre-stressed conditions. The analysis of void sizes influence demonstrate that the impact loadings, wheel and sleeper maximal accelerations appear at certain void depth after which the values decrease. The ballast quasistatic loading analysis indicates more than twice increase of the ballast loading in neighbour zones for long voids and almost full quasistatic unloading for short length voids. However, the used imitation model cannot explain the nature of the dynamic impact. The mechanism of the void impact is clearly explained by the analytic solution using a simple clamped beam. A simplified analytical expression of the void impact velocity shows that it is linearly related to the wheel speed and loading. The comparison to the numerically simulated impact velocities shows a good agreement and the existence of the void depth with the maximal impact. An estimation of the long-term influences for the cases of normal sleeper loading, high ballast pre-stress and quasistatic loading in the neighbour zones and high impact inside the void are performed.

Molten salt reactors have gained substantial interest in the last years due to their flexibility and their potential for simplified closed fuel cycle operation for massive net-zero energy production. However, a zero-power reactor experiment will be an essential first step into the process delivering this technology. The choice of the optimal reflector material is one of the key issues for such experiments since on the one hand it offers huge cost saving potential due to reduced fuel demand, on the other hand an improper choice of the reflector material can have negative effects on the quality of the experiments. The choice of the reflector material is for the first time introduced through a literature review and a discussion of potential roles of the reflector. The 2D study of different potential reflector materials has delivered a first down selection with SS 304 as representative for stainless steel, lead, copper, graphite, and beryllium oxide. A deeper look identified in addition iron-based material with high Si content. The following evaluation of the power distribution has shown the strong influence of the moderating reflectors creating a massively disturbed power distribution with a peak at the core boundary. This effect has been confirmed through a deeper analysis of the 2D multi-group flux distribution which lead to the exclusion of the BeO and the graphite reflector. The most promising materials identified have been SS 304, lead, and copper. The final 3D Monte-Carlo study demonstrated that all three materials have the potential to reduce the required amount of fuel by up to 60% compared NaCl which has been used in previous studies and is now taken as reference A first cost analysis has identified the SS 304 reflector as the most attractive solution. The results of the 2D multi group deterministic study and the 3D multi group Monte-Carlo study have been confirmed through a continuous energy Monte-Carlo reference calculation showing only minor differences.

Molten salt reactors have gained substantial interest in the last years due to their flexibility and their potential for simplified closed fuel cycle operation for massive net-zero energy production. The importance of a zero-power reactor for the process of developing a new, innovative rector concept like molten salt fast reactor is described here. It is based on historical developments as well as the current demand for experimental results and key factors that are relevant to the success of the next step in the development process of all innovative reactor types. In the systematic modelling & simulation of a zero-power molten salt reactor, the radius and the feedback effects are studied for a eutectic based system, while a heavy metal rich chloride-based system are studied depending on the uranium enrichment accompanied with the effects on neutron flux spectrum and spatial distribution. These results are used to support the relevant decision for the narrowing down of the configurations supported by considerations on cost and proliferation for the follow up 3D analysis to provide for the first time a systematic modelling & simulation approach for a new reactor physics experiment. The expected core volumes for these configurations have been studied using multi-group and continuous energy Monte-Carlo simulations identifying the 35% enriched systems as the most attractive and finally leading to the choice of the heavy metal rich compositions 35% enrichment as the reference system for future studies of the next steps in the zero power reactor investigation. The inter-comparison of the different applied codes and approaches available in the SCALE package has delivered a very good agreement between the results creating trust into the developed and used models and methods.

Molten salt reactors have gained substantial interest in the last years due to their flexibility and their potential for simplified closed fuel cycle operation for massive net-zero energy production. However, a zero-power reactor experiment will be an essential first step into the process of delivering this technology. The topic of the control and shut down for a zero power reactor is for the first time introduced through a literature review and the reduction of the control approaches to a limited number of basic functions with different variations. In the following, the requirements for the control and shutdown system for a reactor experiment are formulated, and based on these assessments, an approach for the shutdown – splitting the lower part of the core with reflector, and an approach for the control – a vertically movable radial reflector are proposed. Both systems will be usable for a zero-power system with a liquid as well as with as a solid core and even more importantly, both systems somehow work on the integral system level without disturbing the central part of the core which will be the essential area for the experimental measurements. Both approaches have been investigated as a singular system as well as their interactions with one another and the sensitivity of the control system. The study has demonstrated that both proposed systems are able to deliver the required characteristics with sufficient shutdown margin and a sufficiently wide control span. The interaction of the system has been shown to be manageable and the sensitivity is on a very good level. The multi-group Monte-Carlo approach has been cross evaluated by a continuous energy test leading to good results, but they also demonstrate that there is room for improvement.

Magnetometric Resistivity(MMR) Method, which can use the power supply method of the traditional apparent resistivity method to measure the magnetic field. At present, the application research abroad is relatively extensive, but the domestic(China) research on the application of the MMR method is very few, and it is not even well-known. This paper is based on the MMR theoretical method under the point source DC condition, combined with the abnormal potential method and the modified Biot-Savart law, and using the three-dimensional numerical calculation method of the finite difference method to calculate the abnormal potential field, electric field, and magnetic field on the matlab2018a platform. Calculate, realize the multi-physics simulation in the electromagnetic field through Matlab platform programming, and verify the correctness of the algorithm by the spherical anomaly model with an analytical solution. Through the visual simulation of the three-dimensional data volume of the multi-physics field in the electromagnetic field, we can better understand the response mechanism of the electromagnetic field under DC conditions and grasp their three-dimensional spatial distribution rules. It is hoped that the research in this article can help the research of MMR Personnel better use this method for exploration.

For the problem of poor accuracy of the existing multi-rate simulation methods, this paper proposes a multi rate real-time simulation method based on the Norton equivalent, compared with multi-rate simulation method based on the ideal source equivalent. After the Norton equivalence of the fast subsystem and the slow subsystem, they are obtained simultaneously at the junction nodes. In order to reduce the amount of simulation calculation, the Norton equivalent circuit is obtained by incremental calculation. The data interface between the fast subsystem and the slow subsystem is realized by extrapolation method. For ensuring the real-time performance of the simulation, the method that the slow subsystem calculates ahead of the fast subsystem is given for the slow subsystem with a large amount of calculation. Finally, the AC/DC hybrid power system was simulated on the real-time simulation platform (FRTDS), and the simulation results were compared with the single-rate simulation, which verified the correctness and accuracy of the method.

We review and assess the classic SIR and SEIR epidemiological models regarding possible applications to the COVID-19 pandemic. In spite of numerous more complicated models, we show how the qualitative features of the solution to the SIR and SEIR models continue to provide valuable public health insights in some scenarios. Using estimated COVID-19 data as of this date, the SEIR model shows that if it were possible to reduce R₀ from 2.5 to 1.25 through social distancing and other measures, the maximum fraction of the population that would become infected at any particular time would drop from 17% to 4%, provided that all of the model assumptions are satisfied. Finally, we compare the classic SIR model with a recent stochastic model with favorable results. Since this comparison underscores the importance of underlying connectivity assumptions, we conclude with Monte-Carlo simulations with specific connectivity that reproduce the classical SIR model with standard incidence.

Predictive simulation of concurrent debris flow using only pre-disaster information has proven to be difficult as a result of problems in predicting the location of debris-flow initiation (i.e., slope failure). However, because catchment topography has concave characteristics, with all channels in a catchment joining each other as they flow downstream, it is possible to predict damage to downstream area using relatively inaccurate initiation points. Based on this, this paper presents methodologies employing debris-flow initiation points generated randomly using statistical slope failure prediction. A many-case simulation across numerous initiation points was performed to quantify the effect of slope-failure location in terms of deviations in the predicted water level and terrain deformation. It was found that the relative standard deviation diminished as the points approached the downstream area, indicating a location-based predictability effect.

We have proposed a data-driven approach for designing mesoscale porous structures of Li-ion battery electrode with three-dimensional virtual structures and machine learning techniques. Over 2,000 artificial 3D structures assuming positive electrode composed of random packed spheres as active material particles are generated, and charge/discharge resistance has been evaluated using simplified Physico-chemical model. In this model, resistance from Li diffusion in active material particles (diffusion resistance), transfer resistance of Li+ in electrolyte (electrolyte resistance) and reaction resistance on the interface between active material and electrolyte are simulated based on mass balance of Li, Ohm’s law in and linearized Butler-Volmer equation, respectively. Using these simulation results, regression models via Artificial Neural Network (ANN) have been created in order to predict charge/discharge resistance from porous structure features. In this study, porosity, active material particle size and volume fraction, pressure in the compaction process, electrolyte conductivity, and binder volume fraction are adopted as features, associated with controllable process parameters for manufacturing battery electrode. As results, the predicted electrode resistance by ANN regression model is good agreement with the simulated values. Furthermore, sensitivity analysis and optimization of the process parameters have been carried out. The proposed data-driven approach could be a solution as a guiding principle for manufacturing battery electrode.

Mixing is considered as a critical process parameter (CPP) during process development due to its significant influence on reaction selectivity and process safety. Nevertheless, mixing issues are difficult to identify and solve owing to their complexity and dependence on knowledge of kinetics and hydrodynamics. In this paper, we proposed an optimization methodology using Computational Fluid Dynamics (CFD) based compartmental modelling to improve mixing and reaction selectivity. More importantly, we have demonstrated that through the implementation of surrogate-based optimization, the proposed methodology can be used as a computationally non-intensive way for rapid process development of reaction unit operations. For illustration purpose, reaction selectivity of a process with Bourne competitive reaction network is discussed. Results demonstrate that we can improve reaction selectivity by dynamically controlling rates and locations of feeding in the reactor. The proposed methodology incorporates mechanistic understanding of the reaction kinetics together with an efficient optimization algorithm to determine the optimal process operation and thus can serve as a tool for quality-by-design (QbD) during product development stage.

Star block-copolymers (SBCs) are macromolecules formed by a number of diblock copolymers anchored to a common central core, being the internal monomers solvophilic and the end monomers solvophobic. Recent studies have demonstrated that SBCs constitute a self-assembling building blocks with specific softness, functionalization, shape, and flexibility. Depending on different physical and chemical parameters the SBCs can behave as flexible patchy particles. In this paper, we study the rotational dynamics of isolated SBCs using a hybrid mesoscale simulation technique. We compare three different approaches to analyse the dynamics: the laboratory frame, the non-inertial Eckart's frame, and a geometrical approximation relating the conformation of the SBC to the velocity profile of the solvent. We find that the geometrical approach is adequate when dealing with very soft systems while in the opposite extreme, the dynamics is best explained using the laboratory frame. On the other hand, the Eckart frame is found to be very general and to reproduced well both extreme cases. We also compare the rotational frequency and the kinetic energy with the definitions of the angular momentum and inertia tensor different from recent publications.

We estimated the daily intakes of chlorpyrifos and cypermethrin via ingestion of indoor dust and outdoor soils using the Stochastic Human Exposure and Dose Simulation Model on a probabilistic approach for Taiwan’s homes. Variable information for the daily intake estimation, such as concentration, ingestion rate, body weight, was adopted from previous studies. Monte Carlo simulation was performed with 1,000,000 iterations to simulate a single daily intake, which was shown in terms of percentage of the Acceptable Daily Intake (ADI) of either insecticide. The daily intakes were minimal with a 99% probability; at 99.9th percentile, however, the total intakes leaped to 13.1% and 20.0% of the respective ADIs of chlorpyrifos and cypermethrin. The sensitivity analysis indicated that concentration was the most determinant variable. Compared to the data of daily intakes via dietary ingestion of vegetables derived from a previous study, the estimated intakes by this study were considerable at the highest percentile, which referred to insecticide residues few days after insecticide application. Consequently, the non-dietary ingestion exposure to either insecticide was negligible in most cases; nevertheless, for those with indoor insecticide applications, the daily intakes for young children could be of concern. Frequently home cleaning is recommended to reduce the exposure.

The processing of woody biomass waste piles for use as fuel instead of burning them was investigated. At each landing slash pile location, a 132 kW grapple excavator was used to transfer the waste piles into a 522 kW horizontal grinder. Economies of scale could be expected when grinding a larger pile, although the efficiency of the loading operation might be diminished. Here, three piles were ground and the operations were time-studied: Small (20 m long × 15 m wide × 4 m high), Medium (30 × 24 × 4 m), and Large (35 × 30 × 4 m) piles. Grinding the Medium pile was found to be the most productive at 30.65 bone dry tons per productive machine hour without delay (BDT/PMH₀), thereby suggesting that there might be an optimum size of slash pile for a grinding operation. We also examined modeling of the excavator and grinder operations, and we observed that the constructed simulation model well-replicated the actual operations. Based on the modeling, we estimated that the productivity of grinding at a landing area of 710 m² of slash pile location was 31.24 BDT/PMH₀, which was the most productive rate.

Lactoperoxidase (LP), which is a high-value minor whey protein, has recently drawn extensive attention from research scientists and industry due to its multi-function and potential therapeutic applications. In this study, the separation and optimization of two similar-sized proteins, LP and lactoferrin (LF) were investigated using strong cation exchange column chromatography. Optimization was started with central composite design based experiments to characterize the importance of different decision variables. The three variables used in the optimization were flow rate, length of gradient and final salt concentration in the linear elution gradient step. The obtained empiric functional model represented the effect of the significant factors on the yield as the objective function. Afterwards, the calibrated mechanistic model was employed to predict accurate optimal set of variables. The optimal operating points were found and the results were compared with validation experiments. Predictions respecting yield confirmed a very good agreement with experimental results while keeping purity, a product quality characteristic, equal or above to a predefined value.

In this paper, the performance of Cu-(In,Ga)-S2 (CIGS2) solar cells with adjusting composite CGI-ratio absorber is explored and compared through an improved three-stage co-evaporation technique. For co-evaporating CIGS2 absorber as a less toxic alternative to Cd-containing film, we analyse the effect of the CGI-ratio stoichiometry and crystallinity, and explore its opto-electric sensing characteristic of individual solar cell. The results of this research signify the potential of high-performance CIGS2-absorption solar cells for photovoltaic (PV)-module industrial applications. For the optimal CIGS2-absorption film (CGI=0.95), the Raman main-phase signal (A1) falls at 291 cm-1, which is excited by the 532-nm line of Ar+-laser. Using photo-luminescence (PL) spectroscopy, the corresponding main-peak bandgaps measured is 1.59 eV at the same CGI-ratio film. Meanwhile, the best conversion efficiency (=3.212%) and the average external quantum efficiency (EQE=51.1% in the visible-wavelength region) of photo-electric properties were achieved for the developed CIGS2-solar cells (CGI=0.95). The discoveries of this CIGS2-absorption PV research provide a new scientific understanding of solar cells. Moreover, this research undeniably contributes to a major advancement towards practical PV-module applications and can help more to build an eco-friendly community.

Lithium-metal batteries offer high energy density, but are challenged by dendrite growth, which can lead to short circuits and battery failure. Various models with varying degrees of accuracy and computational cost have been developed to understand and predict dendrite growth. In this study, a simple simulation model to predict macroscale dendrite growth on lithium metal electrodes is presented. The model uses a 3D single-particle diffusion-limited aggregation (DLA) algorithm, biased by the electric field, to simulate dendrite growth. The model was validated using 3D MRI of dendrite growth in a lithium symmetric cell. It was used to simulate deposition between consecutive measured dendrite structures. The model also introduces an important parameter, namely the biasing factor c, which determines the balance between diffusion and electric field effects. This parameter was calibrated using the overlap and displacement of deposition sites metrics, achieving optimal results at c = 0.7. The model predictions were in good agreement with experimental data confirmed by fractal dimension analysis. This model provides a useful tool for predicting and studying dendrite formation in lithium and other metal batteries.

The rotational correlation times of a small compact spin probe (2,2,6,6-tetramethylpiperidin-1-yl)oxyl in isotactic polypropylene were obtained over a wide temperature range by EPR spectra simulation taking into account anisotropic rotation as well as distribution of probe molecules by rotational mobility. The averaged values of rotational correlation times were compared with the corresponding values calculated using well-known approximated formulas based on the intensities and widths of the spectral lines. It was shown that the calculated values can be used as effective parameters to characterize rotational mobility of the spin probe in the polymer matrix in a wide range of rotational correlation times.

The iron roughneck is an automated equipment utilized for the connection and removal of drilling tools. This paper presents the design of an integrated iron roughneck, providing a detailed introduction to its clamp body structure, along with an analysis of its structural characteristics and performance requirements. The study delves into the integration mode and working characteristics of the clamping mechanism and spin buckle mechanism for the integrated upper clamp body structure of the iron roughneck. Additionally, this paper conducts an in-depth theoretical study on the spin buckle mechanism. Firstly, it analyzes the actual working condition of the spin buckle roller from two perspectives: contact theory and rolling friction theory, determining the structural form of the spin buckle roller. Secondly, it investigates the relative displacement between the spin buckle mechanism and the drilling tool, proposing a design method for the floating device mounted on the spin buckle roller and establishing the kinematic equation of the spin buckle roller under the influence of the floating device. Furthermore, the kinematic equations of the spin buckle roller under the influence of the floating device are established. Finally, a dynamics simulation experiment is performed to simulate the working process of the spin buckle mechanism under actual working conditions, analyzing the dynamics and kinematics of the spin buckle mechanism and obtaining the relevant parameter curves of the spin buckle mechanism and drilling tools. Through data comparison and analysis, the correctness of the theoretical analysis results and the rationality of the performance and structure of the spin buckle mechanism are verified.

Digital Twin (DT) technology is a pivotal innovation within the built environment industry, facilitating digital transformation through advanced data integration and analytics. DTs have demonstrated significant benefits in building design, construction, and asset management, including optimizing lifecycle energy use, enhancing operational efficiency, enabling predictive maintenance, and improving user adaptability. By integrating real-time data from IoT sensors with advanced analytics, DTs provide dynamic and actionable insights for better decision-making and resource management. Despite these promising benefits, several challenges impede the widespread adoption of DT technology, such as technological integration, data consistency, organisational adaptation, and cybersecurity concerns. Addressing these challenges requires inter-disciplinary collaboration, standardization of data formats, and the development of universal design and development platforms for DTs. This paper provides a comprehensive review of DT definitions, applications, capabilities, and challenges within the Architecture, Engineering, and Construction (AEC) industries. This paper provides important insights for researchers and professionals, helping them gain a more comprehensive and detailed view of DT. The findings also demonstrate the significant impact that DTs can have on this sector, contributing to advancing DT implementations and promoting sustainable and efficient building management practices. Ultimately, DT technology is set to revolutionize the AEC industries by enabling autonomous, data-driven decision-making and optimizing building operations for enhanced productivity and performance.

This work offers a new log generalized odd log-logistic exponential regression model for analyzing weekly dengue fever cases in 2022 with a location-systematic component. To achieve this, a data set of 49 observations of dengue fever cases in the Federal District of Brazil is employed. A review of the mathematical properties of the generalized odd log-logistic exponential distribution is provided, the maximum likelihood method is used to estimate the parameters, and, through Monte Carlo simulations, the accuracy of the estimators is investigated. The model's fit is assessed using global influence metrics and residual analysis. For the time scenario studied, the proposed regression identified factors that have an impact on dengue fever cases, which may contribute to improve disease control. Finally, several interpretations are addressed, and a discussion presents results that aid in better understanding the data set and future research on different data.

Petri nets are a graphical notation for describing a class of discrete event dynamic systems whose behaviours are charaterised by concurrency, synchronisation, mutual exclusion and conflict. They have been used over the years for the modelling of various distributed systems applications. With the advent of pervasive systems and the Internet of Things, the Calculus of Context-aware Ambients (CCA) emerged as a suitable formal notation for analysing the behaviours of these systems. In this paper, we are interested in comparing the expressive power of Petri nets to that of CCA. That is, can the class of systems represented by Petri nets be modelled in CCA? To answer this question, an algorithm is proposed that maps any Petri net onto a CCA process. We show that a Petri net and its corresponding CCA process behave the same way through experiments. It follows that CCA is at least as expressive as Petri nets, i.e. any system that can be specified in Petri nets can also be specified in CCA. Moreover, tools developed for CCA can also be used to analyse Petri nets.

With the continuous increase in ship size combined with the generally slower increase in the size of waterways, the need for the prediction of ship maneuvering in shallow waterways continues to attract attention from the international scientific community. Ship behavior in shallow water is relevant in seabed effects that result in changing the hydrodynamic forces acting on the ship. In this study, the maneuvering characteristics of container ship with four degrees of freedom in shallow water are analyzed. The Reynolds-averaged Navier Stokes approach in Ansys Fluent code is used to produce the maneuvering coefficients through the simulations of forward running, static drift, static heel, circular motion, the combined motions, and the pure roll motion of the Kriso container ship. The maneuvering characteristics of the ship are estimated for evaluating the ship behaviors in shallow water condition. The obtained results show that the roll has a significant decrease and the ship’s turning diameter has a significant increase when the ship operates in the shallow waterway. The prediction of maneuvering characteristics of the ship are in good agreement with those of free running model tests, indicating that the numerical simulation based on the Computational Fluid Dynamics method has compromising capability to predict the maneuvering derivatives and the 4-DOF ship maneuvering motion in shallow water as well.

In this study, a Traveling-Wave Mach-Zehnder intensity Modulator (TW-MZM) was designed and optimized for six different electro-optical (EO) crystals: Lithium Niobate (LNB), Potassium Niobate (KNB), Lithium Titanate (LTO), Beta Barium Borate (BBO), Cadmium Telluride (CdTe), and Indium phosphide (InP). The performance of each EO crystal, including optical and radio frequency (RF) loss, applied voltage, and modulation bandwidth, was estimated and compared. The results suggested that, in theory, KNB, LTO, BBO, and CdTe have the potential to outperform LNB. However, it should be noted that the loss associated with KNB and LTO is comparable to that of LNB. The findings demonstrated that BBO and CdTe exhibit a modulation bandwidth exceeding 100 GHz and demonstrate the lowest loss among the considered crystals based on the assumed geometry.

Dynamic virtual testing by Hardware in the Loop (HIL) real time simulation systems is common to minimize physical tests to validate and verify control algorithms, logics and software, under normal and emergency conditions. The accurate but costly HIL models setup activities could have an extended use to simulate faulty conditions that are seldom observable in the real system, yet they must be detected in advance and recognized. Data driven diagnostic methods have reached a mature development, in various sectors, proving effective in early detecting slowly varying deviations from nominal patterns of signals, even without a priori knowledge of their nature and behavior. These methods rely on vast amount of data logged from real systems that are ever and ever richer of monitoring telemetries that are worth being exploited. However, due to the usually reliable and safe systems being managed, it is often difficult to collect enough data on anomalous situations to validate fault detection and isolation and limit false positives. HIL model-based simulations allow generating and observing operational domains or transients rarely observed in real operations. This allows identifying the signals that are most correlated to faults and that could be selected to setup data-based diagnostic models of parts or subsystems, which are more suitable than the whole HIL model for online diagnostics, as well as to identify the features and trends that are most symptomatic of anomalous conditions.

In this paper, low circumferential reciprocating load foot-scale tests were performed on two truncated PHC B 600 130 tubular piles with bearing nodes to characterize the damage process and morphology of the specimens and to investigate the load-carrying performance of the members. The test results reveal that under the action of tensile-bending-shear loading, the bearing concrete in the node area buckles and is damaged, the anchored reinforcement in the node area yields, the constraint is weakened, an articulation point is formed, and the node rotational capacity increases. When the embedment depth increases from 200 mm to 300 mm, the ultimate bearing capacities of the positive and negative nodes increase by 57.60% and 54.60%, respectively. A numerical simulation is used to verify the test results. Considering the three types of piles with truncated nodes, the numerical simulation is used to analyze the node-bearing capacity at different embedment depths. Finally, two preferred node types are proposed as follows: pipe pile core-filled longitudinal reinforcement anchored into the bearing node and pipe pile body longitudinal reinforcement anchored into the bearing node + pipe pile core-filled longitudinal reinforcement anchored into the bearing node, with preferred embedment depths of 350 mm and 200 mm, respectively.

This paper proposes a lightweight joint with bamboo culm cross connection, which is constructed by screwing one side of the screw into the other side of the wooden plug, its simple construction makes it easy to manufacture and cost-effective. This form connects adjacent bamboo culms to form corner joints, and bolt connects adjacent bamboo culm frames to form edge joints, to explore the mechanical properties of the combination joints formed by corner joints and edge joints, by combining experiments and numerical simulations, the method discovered and explained the relationship and mechanism between the number and position of bolts and the stiffness of edge joints. A calculation model for frame-unit bamboo culm members considering semi-stiffness of joints is proposed, and the conversion equations between linear stiffness of corner and edge joint and their rotational stiffnesses are derived. By establishing the series and parallel relationship between the corner and edge joints in the assembled members, a generalized relational equation between the total stiffness of the assembled joint and the stiffness of the corner and edge joints is derived. A numerical simulation method for frame-unit bamboo culm members with semi-rigid joints is proposed, which can obtain the stiffness calculation formula of edge joints and the average rotational stiffness value of semi-rigid corner joints. A finite element analysis method based on semi-rigid joints is proposed for frame-unit bamboo culm members, and the internal force sketches and calculation methods for bamboo culms and joints are presented, which can be used for the internal force analysis and design of frame-unit bamboo culm lattice structures.

Over-capacity flight scheduling by commercial airlines due to the surging demand in recent years creates congestion and significant delays at major airports. This maximizing throughput attitude calls for tactical flight rescheduling to comply with airports’ capacity limitations and distribute the peak hour demand over the course of a day. Such displacements of flights may cause significant problems and costs for airlines and some cancellations or missed connections for the passengers. This paper presents an optimization model for flight rescheduling at a schedule-coordinated airport to minimize congestion and flight delays. The optimization model is used to make better scheduling intervention decisions considering the airport resource constraints and safety of operation. We have also developed a simulation method to replicate arrival and departure processes in such an airport. The simulation adheres to a first come first served (FCFS) discipline and enforces runway capacity constraints and minimum turnaround times. We compare the delays caused by an ad hoc FCFS operation with those obtained by the optimization model. Computational results from a case study demonstrate that a reduction of 40.7% and 61.6% in total delay times for the arrival and departure flights can be achieved by the optimization model. It also facilitates implementing a collaborative decision-making system for better coordination with commercial airlines.

Transport electrification is essential for reducing CO2 emissions, and technologies such as hybrid and range-extended electric vehicles will play a crucial transitional role. Such vehicles employ an internal combustion engine for on-board chemical energy conversion. The Wankel rotary engine should be an excellent candidate for this purpose, offering high power-to-weight ratio, simplicity, compactness, perfect balance, and low cost. Until recently, however, it has not been in production in the automotive market, due, in part, to relatively low combustion efficiency and high fuel consumption and unburnt hydrocarbon emissions, which can be traced to constraints on flame speed, an elongated combustion chamber, and relatively low compression ratios. This work uses large-eddy simulation to study the in-chamber flow in a peripherally ported 225cc Wankel rotary engine, providing insight into these limitations. Flow structures created during the intake phase play a key role in turbulence production but presence of the pinch point inherent to Wankel engine combustion chambers inhibits flame propagation. Two efficiency-enhancement technologies are introduced as disruptive solutions: (i) pre-chamber jet ignition and (ii) the two-stage rotary engine. These concepts overcome the traditional efficiency limitations and show that Wankel rotary engine design can be further enhanced for its role as a range extender in electrified vehicles.

An existing simplified simulation model of global climate, population, economy, and governance is extended, through statistical and other data analysis, to include several measures of human well-being and population displacement. The revised model is used to explore (in testing to the year 2060) vicious cycles and causal cascades that, some have warned, could lead to acceleration of climate change in the coming decades. Model scenario testing addresses two uncertainties, namely the strength of the effect of climate change on governance erosion, and the strength of the “heat trap” effect from physical tipping points such as ice loss and permafrost thaw. This testing indicates that a strong heat trap effect could very well accelerate climate change, but that even a strong governance erosion effect is unlikely to do so. Governance erosion would hurt human well-being but is probably not much of a climate threat per se. These results are tentative but point to the possibility of formally modeling causal cascades beyond what the larger climate models have done to date.

For both conventional and renewable energy conversion processes, computational fluid dynamics (CFD) has been used to address more energy-related challenges in recent decades. Using CFD to investigate vertical-axis wind turbines has become more common in recent years. The main goals of this application have been to more accurately predict the turbine's performance and to comprehend the complicated nature of the complex turbulent flow. The Vertical Axis Wind Turbine (VAWT) simulation for energy-generating applications has several intricate components. One of them is being aware of the chaotic flow that occurs during the first stages of the starting process, which influences overall effectiveness. In this article, the performance of the wind turbine was increased by using a passive flow control approach. The numerical research was carried out using Large Eddy Simulation for four alternative tip speed ratios in both cases, the classic and the optimized, equipped with a vortex trap on the exterior of the blades. The power and torque coefficient variations, as well as the velocity magnitude contours, show that the starting process may begin with a significant improvement in efficiency when flow control is used.

The first paper of this two-part series paper discussed the development of a novel lightweight 3D wood dowel-reinforced glass epoxy hybrid composite material (3DdrFRP) and its manufacturing procedures. It also experimentally compared the performance of scaled utility poles made from conventional 2D E-glass epoxy and 3DdrFRP materials. In the second part, we developed robust finite element (FE) models in LS-DYNA, calibrated them based on experimental results, and used them to simulate the performance of equivalent 2D and 3D poles, proving the integrity of the numerical model. Additionally, we developed a simplified analytical calculation method for engi-neers to determine the stiffness of 3D-DrFRP poles accurately and quickly.

Bifacial PV modules have become the pervasive choice for utility-scale solar photovoltaic (PV) installations. Understanding bifacial PV performance for commercial deployments is, therefore, critically important. Although there have been studies on the modeling of Bifacial PV performance, to the best of our knowledge, the comprehensive integration of racking and mounting geometry for Bifacial PV performance simulation is yet to be reported. In this work, we modeled the racking and mounting geometry for a field-deployed operational PV array. We then applied optical ray-trace simulation to study the impact of those structures on array performance. The study reveals that the support structures have a considerable impact on the rear surface irradiance and overall bifacial PV performance, amounting to as much as 30% shading in certain situations. The work analyzes the impact of installation parameters such as tilt, height, and row spacing on the bifacial PV array’s performance. Thus, a novel holistic approach to studying the sensitivity of various installation parameters’ impact on bifacial PV array performance, with the racking and mounting structure’s geometry integrated, has been demonstrated through the work. This knowledge and its practice enables site-specific design optimization for utility-scale bifacial solar PV arrays and synergistic PV applications such as agrivoltaics and carports, where maximizing power generation is not necessarily the sole objective.

Zinc, being a part of many proteins and enzymes, plays an important role in the vital processes of the body. Racemic α-lipoic acid (LA) has a wide range of biological activities: antioxidant, antidiabetic, anticancer, and it is also used in diseases such as Parkinson's and Alzheimer's. Nowadays, the synthesis and structural studies of new zinc complexes with biologically active compounds are of great importance for drug discovery. This work shows the studies carried out on the synthesis, structure, identification, also biological activity using in silico methods of a complex compound based on LA and zinc. A complex compound of zinc with LA (ZnLA) was synthesized in the presence of LA and zinc acetate in ethanol. The identification of ZnLA by (FT-IR, XRD and TGA-DTA), also DFT calculations at the B3LYP/def2-TZVPP level of theory was performed. The molecular docking investigation involved docking ZnLA with two different protein receptors such us Glycogen phosphorylase (2GPA) and Kv potassium channel beta subunit (1ZSX) using CB-Dock 2 server and Auto-Dock Vina program to determine the mechanism of action and biological activity. This study reveals potential ligand-protein interactions at the atomic level and suggests that the treatment of diabetes (non-insulin dependent) with ZnLA.

The resistance of Candida spp to fluconazole is a serious problem; Therefore, it must be investigated to expand the understanding of the phenomenon with a view to its clinical applicability. The aim was to evaluate the expression of ERG3, ERG11, CDR1, and SNQ2 genes involving computational analysis. Relative expression was quantified by RT-qPCR. Metrics were obtained by molecular docking and through Fisher's discriminant functions, a predictive classification against susceptibility to fluconazole was performed. The expression of ERG3, CDR1, and SNQ2 genes was higher in resistant strains than in dose-dependent sensitive strains. The gene with the highest expression in strains exposed to fluconazole was CDR1 and, in both resistant and dose-dependent sensitive strains exposed to fluconazole, the ERG11 gene had lower expression. The molecular docking model generated lower median fluconazole-ERG11 contacts than the median fluconazole-ERG3, -CDR1, and -SNQ2 contacts. The predicted classification through the multivariate model for fluconazole sensitivity obtained an accuracy of 73.5%. Resistant strains had a significant expression of CDR1, SNQ2 and ERG3 genes, compared to a comparatively low expression of ERG11. Molecular analysis identified a low affinity between fluconazole and its drug target, which may explain a lower intrinsic susceptibility of the fungus.

Large language models (LLMs) excel in providing natural language responses that sound authoritative, reflect knowledge of the context area, and can present from a range of varied perspectives. Agent Based Models and Simulation consist of simulated agents that interact within a simulated environment to explore societal, social, and ethical, among other, problems. Agents generate large volumes of data over time and discerning useful and relevant content is an onerous task. LLMs can help in communicating agents’ perspectives on key events by providing natural language narratives. However, these narratives need to be factual, transparent, and reproducible. To this end, we present a structured narrative prompt for sending queries to LLMs. Chi-square tests and Fisher’s Exact tests are applied to assess statistically significant difference in sentiment scores of the narrative messages between simulation generated narratives, ChatGPT-generated narratives, and real tweets. The narrative prompt structure effectively yields narratives with the desired components from ChatGPT. This structure is expected to be extensible across LLMs. In 14 out of 44 categories, ChatGPT generated narratives which has sentiment scores that were not discernibly different, in terms of statistical significance (alpha level of 0.05), from the sentiment expressed in real tweets. Three outcomes are provided: (1) a list of benefits and challenges for LLMs in narrative generation; (2) a structured prompt for requesting narratives of a LLM based on simulated agents’ information; and (3) an assessment of statistical significance in the sentiment prevalence of the generated narratives compared to real tweets. This indicates significant promise in the utilization of LLMs for helping to connect simulated agent’s experiences with real people.

Bistatic scattering coefficient have important application of ocean active microwave remote sensing. In this paper, a general expression of the composite scattering coefficient for multiple dielectric targets of one-dimensional fractal sea surface is derived by MOM method. Secondly, the bistatic scattering coefficient is computed, there are two class missile targets and one class ship target of one-dimensional fractal sea surface, and the influence of the water dielectric constant, fractal dimension, wind speed, the target dielectric constant and spatial position is discussed, and the corresponding conclusions are given. The proposed algorithm is able to solve some composite scattering problems, such as “dielectric or conductive object + rough surface”, “dielectric or conductive floating object +rough ”and it has certain generalization and reference.

Glioblastoma multiforme (GBM) is a highly heterogeneous brain tumor with limited treatment options and a poor prognosis. Cancer stem cells (CSCs) have emerged as a critical factor in GBM resistance and management, contributing to tumor growth, heterogeneity, and immunosuppression. The transcription factor FOXM1 has been identified as a key player in the progression, spread, and therapy resistance of various cancers, including GBM. In this study, researchers conducted structure-based in silico screening to identify natural compounds that could target the DNA-binding domain (DBD) of the FOXM1 protein. Through molecular docking analyses, identified Silybin B as a potential inhibitor of FOXM1, exhibiting strong interaction with the protein. MD simulations were performed to validate the binding stability of the FOXM1-Silybin B complex. The study provides valuable insights into the potential of Silybin B as a FOXM1 inhibitor and its ability to induce senescence in GBM stem cells. These findings contribute to the development of structure-based design strategies for FOXM1 inhibitors and innovative therapeutic approaches for the treatment of Glioblastoma.

Breaching and liquefaction are two types of coastal flow slides proposed in the literature. While their final results are similar, liquefaction and breaching failure are two different processes, with breaching failure characterized by a different progression and sand movement mechanisms. In densely packed sand, breaching causes delayed sand grain discharge and negative excess pore pressures. Liquefaction, when a mass of soil suddenly behaves like a liquid, flow out over overly gentle slopes. Flow slides typically go unnoticed until the slope fails above ground because they start below the water. Without modern technology, diving equipment, risk assessment, and probabilistic and sensitivity assessments, flow slides inherently challenging. The authors developed a new sensitivity index to detect the susceptibility of coastal flow slides. It was established a sophisticated hybrid model that accommodates flow slides in sync with unpredictable variables employed in this new sensitivity index. Innovative hybrid model has three distinctive models. The Hybrid Hydrodynamic Model addresses wave, wind, current, climate change, and sediment transfer. The Monte Carlo Simulation analyses sensitivity, and the Bayesian Network calculates joint probability of coastal flow slide parameters of this new index that includes environmental characteristics, including climate change. With the assistance of these three models, researchers aim at a) presenting a methodology for coupling coastal flow slide projections with outcomes; b) distinguishing two flow slides; c) examining variables influencing flow slides. The use of such a hybrid model and risk index offers a robust and computationally efficient approach to evaluating the critical angle slope for breaching failure.

Lamb waves occur in thin-walled structures in two wave modes, the symmetric and antisymmetric mode. Their oscillation on the structures‘ surfaces is either in phase (symmetric) or shifted by a phase angle of π (antisymmetric). In this work, a method is developed to compare the surfaces‘ oscillation phase relation. It is based on the evaluation of time signals regarding the instantaneous phase angle using the continuous wavelet transformation and as a comparative method the short-time Fourier transformation. For this purpose, numerical simulations utilizing the finite element method provide time signals from the top and bottom surface of different thin-walled structures. They differ with respect to their material settings and laminate configurations. The numerically obtained time signals are evaluated by the developed methods. The occurring oscillation phase differences on the top and bottom surface are studied and both methods are compared. Subsequently, the oscillation phase is evaluated experimentally for the wave propagation in a fiber metal laminate. It is shown that the method based on the continuous wavelet transformation is suitable for the evaluation of oscillation phase relations in time signals. Additionally, it is proven that fiber metal laminates show only two phase relations which indicates the occurrence of Lamb waves.