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Preprint ARTICLE | doi:10.20944/preprints202305.1881.v1

Antiproliferative Activity of Euphorbia ingens Extract against Prostate Cancer Cell Line: An in silico and in vitro Analysis

Innocent Oluwaseun Okpako, Florence Atieno Ng'ong'a, Cleophas Mutinda Kyama, John Chukuwma Oyem, Sospeter Ngoci Njeru

Subject: Biology And Life Sciences, Life Sciences Keywords: Euphorbia ingens; Anticancer; Antiproliferative; Prostate Cancer; Network Pharmacology; Phyto-chemicals; Mechanism of action; Molecular targets

Online: 26 May 2023 (07:46:44 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202305.1658.v1

Employing Molecular Conformations for Ligand-based Virtual Screening with Equivariant Graph Neural Network and Deep Multiple Instance Learning

Yaowen Gu, Jiao Li, Hongyu Kang, Bowen Zhang, Si Zheng

Subject: Computer Science And Mathematics, Artificial Intelligence And Machine Learning Keywords: Virtual screening; Bioactivity prediction; Equivariant graph neural network; Multiple instance learning; Molecular conformation; Benchmark dataset

Online: 23 May 2023 (13:05:48 CEST)

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Ligand-based virtual screening (LBVS) is a promising approach for rapid and low-cost screening of potentially bioactive molecules in the early stage of drug discovery. Compared with traditional similarity-based machine learning methods, deep learning frameworks for LBVS can more effectively extract high-order molecule structure representations from molecular fingerprints or structures. However, the 3D conformation of a molecule largely influences its bioactivity and physical properties, and has rarely been considered in previous deep learning-based LBVS methods. Moreover, the relative bioactivity benchmark dataset is still lacking. To address these issues, we introduce a novel end-to-end deep learning architecture trained from molecular conformers for LBVS. We first extracted molecule conformers from multiple public molecular bioactivity data and consolidated them into a large-scale bioactivity benchmark dataset, which totally includes millions of endpoints and molecules corresponding to 954 targets. Then, we devised a deep learning-based LBVS called EquiVS to learn molecule representations from conformers for bioactivity prediction. Specifically, graph convolutional network (GCN) and equivariant graph neural network (EGNN) are sequentially stacked to learn high-order molecule-level and conformer-level representations, followed by attention-based deep multiple-instance learning (MIL) to aggregate these representations and then predict the potential bioactivity for the query molecule on a given target. We conducted various experiments to validate the data quality of our benchmark dataset, and confirmed EquiVS achieved better performance compared with 10 traditional machine learning or deep learning-based LBVS methods. Further ablation studies demonstrate the significant contribution of molecular conformation for bioactivity prediction, as well as the reasonability and non-redundancy of deep learning architecture in EquiVS. Finally, a model interpretation case study on CDK2 shows the potential of EquiVS in optimal conformer discovery. The overall study shows that our proposed benchmark dataset and EquiVS method have promising prospects in virtual screening applications.

Preprint ARTICLE | doi:10.20944/preprints202305.0648.v1

Genetic Characterization of Carbapenem-Resistant Klebsiella pneumoniae Clinical Isolates in a Tertiary Hospital in Greece, 2018-2022

Charalampos Zarras, Theodoros Karampatakis, Styliani Pappa, Elias Iosifidis, Eleni Vagdatli, Emmanuel Roilides, Anna Papa

Subject: Medicine And Pharmacology, Epidemiology And Infectious Diseases Keywords: carbapenem-resistant Klebsiella pneumoniae; whole genome sequencing; core genome single-nucleotide polymorphism analysis; molecular epidemiology

Online: 9 May 2023 (11:57:43 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202304.1069.v1

Dopamine Receptor Ligand Selectivity - An In Silico / In Vitro Insight

Lukas Zell, Alina Bretl, Veronika Temml, Daniela Schuster

Subject: Biology And Life Sciences, Neuroscience And Neurology Keywords: dopamine receptor; subtype selectivity; GPCR; in silico; molecular docking; secondary binding pocket; in vitro; HTRF

Online: 27 April 2023 (10:10:51 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202302.0191.v1

Pipeline to Design Inbred Lines and F1 Hybrids of Leaf Chicory (Radicchio) Using Male-sterility and Genotyping-by-sequencing

Francesco Scariolo, Fabio Palumbo, Silvia Farinati, Gianni Barcaccia

Subject: Biology And Life Sciences, Biochemistry And Molecular Biology Keywords: chicory; endive; RADseq; male-sterility; molecular breeding; SNPs; inbred lines; F1 hybrids; predicted breeding value

Online: 10 February 2023 (11:15:16 CET)

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Chicory, a horticultural crop cultivated worldwide, presents many botanical varieties and local biotypes. Among these, Italian radicchio group cultivars of pure Cichorium intybus L. and interspecific hybrids with Cichorium endivia L., as the “Red of Chioggia” biotype which in turn includes several phenotypes. This study deals with a pipeline for the marker-assisted breeding of F1 hybrids: it presents the genotyping-by-sequencing results of four elite inbred lines using a RADseq approach and an original molecular assay based on CAPS markers for screening mutants with nuclear male-sterility in radicchio of Chioggia. Two thousand nine hundred fifty-three SNP-carrying RADtags were identified and used to compute the actual estimates of homozygosity, and overall genetic similarity and uniformity of the populations, as well as to determine their genetic distinctiveness and differentiation. Molecular data were further used to investigate the genomic distribution of the RADtags among the two Cichorium species, allowing their mapping in 1,131 and 1,071 coding sequences in chicory and endive, respectively. In parallel, an assay to screen the genotype at the male-sterility locus Cims-1 was developed to discriminate wild-type and mutant alleles of the causative gene myb80-like. Moreover, a RADtag mapped close to this genomic region proved the potential application of this method for future marker-assisted selection tools. Finally, combining the genotype information of the core collection, the best ten individuals from each inbred line were selected to compute the observed genetic similarity as a measure of uniformity as well as the expected homozygosity and heterozygosity estimates scorable by the putative progenies derived from selfing (pollen parent) and full-sibling (seed parent) or pair-wise crossing (F1 hybrids). This predictive approach was conducted as a pilot study for understanding the potential application of RADseq in improving molecular breeding strategies aimed at the development of inbred lines and F1 hybrids in leaf chicory.

Preprint ARTICLE | doi:10.20944/preprints202212.0403.v1

The Structure of Evolutionary Model Space for Proteins Across the Tree of Life

Gabrielle E. Scolaro, Edward L. Braun

Subject: Biology And Life Sciences, Biochemistry And Molecular Biology Keywords: Molecular evolution; Substitution matrix; Amino acid exchangeability; Models of sequence evolution; Protein evolution; Archaea; Bacteria

Online: 21 December 2022 (13:06:09 CET)

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The factors that determine the relative rates of amino acid substitution during protein evolution are complex and they are known to vary among taxa. We estimated relative exchangeabilities for pairs of amino acids from clades spread across the tree of life and assessed the historical signal in the distances among these clade-specific models. We trained these models separately on collections of arbitrarily selected protein alignments and on ribosomal protein alignments. In both cases we found a clear separation between the models trained using multiple sequence alignments from bacterial clades and the models trained on archaeal and eukaryotic data. We assessed the predictive power of our novel clade-specific models of sequence evolution by asking whether fit to the models could be used to identify the source of multiple sequence alignments. Model fit was generally able to classify protein alignments correctly at the level of domain (bacterial versus archaeal), but the accuracy of classification at finer scales was much lower. The only exceptions to this were the relatively high classification accuracy for two archaeal lineages: Halobacteriaceae and Thermoprotei. Genomic GC content had a modest impact on relative exchangeabilities despite having a large impact on amino acid frequencies. Relative exchangeabilities involving aromatic residues exhibited the largest differences among models. There were a small number of exchangeabilities that exhibited large differences in comparisons among major clades and between generalized models and ribosomal protein models. Taken as a whole, these results reveal that a small number of relative exchangeabilities are responsible for much of the structure of the “model space” for protein sequence evolution. If we look beyond the information that these clade-specific models reveal about protein evolution the models themselves are likely to be useful tools for phylogenomic inference across the tree of life.

Preprint ARTICLE | doi:10.20944/preprints202212.0220.v1

Two-Steps Identification of N-, S-, R- and T-cytoplasm Types in Onion Breeding Lines using High Resolution Melting (HRM)-Based Markers

Ludmila Khrustaleva, Mais Nzeha, Aleksey Ermolaev, Ekaterina Nikitina, Valery Romanov

Subject: Biology And Life Sciences, Biochemistry And Molecular Biology Keywords: Cytoplasmic male-sterility; High resolution melting (HRM); molecular markers; mitochondrial genes; onion (Allium cepa L.)

Online: 13 December 2022 (02:28:27 CET)

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Preprint ARTICLE | doi:10.20944/preprints202212.0062.v1

Motif-based Graph Representation Learning with Application to Chemical Molecules

Yifei Wang, Shiyang Chen, Guobin Chen, Ethan Shurberg, Hang Liu, Pengyu Hong

Subject: Computer Science And Mathematics, Computer Vision And Graphics Keywords: graph neural network; motif-based representation; molecular property prediction; graph matching; interpretability; GPU-enabled accelerating.

Online: 5 December 2022 (06:57:41 CET)

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Preprint ARTICLE | doi:10.20944/preprints202207.0033.v1

A Circulating Serum miRNA-Based Model to Predict Early Mortality in Multiple Myeloma Patients Treated with Bortezomib-Based Regimens

Anna Puła, Paweł Robak, Dariusz Jarych, Damian Mikulski, Małgorzata Misiewicz, Izabela Drozdz, Wojciech Fendler, Janusz Szemraj, Tadeusz Robak

Subject: Medicine And Pharmacology, Oncology And Oncogenics Keywords: multiple myeloma; early mortality; blood plasma; circulating miRNA; hematological malignancies; molecular biomarker; multiparametric model; prognosissurvival

Online: 4 July 2022 (05:59:59 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202112.0289.v1

Attaching onto or Inserting into an Intramolecular Hydrogen Bond: Exploring and Controlling a Chirality-Dependent Dilemma for Alcohols

Manuel Lange, Elisabeth Sennert, Martin A. Suhm

Subject: Chemistry And Materials Science, Physical Chemistry Keywords: molecular recognition; infrared spectroscopy; Raman spectroscopy; supersonic expansion; chirality induction; hydrogen bond topology; cooperativity; chlorination

Online: 17 December 2021 (14:25:55 CET)

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Preprint ARTICLE | doi:10.20944/preprints202106.0568.v1

Unveiling the Intramolecular Ionic Diels-Alder Reactions within the Molecular Electron Density Theory

Luis R. Domingo, Mar Ríos-Gutiérrez, María José Aurell

Subject: Chemistry And Materials Science, Organic Chemistry Keywords: intramolecular ionic Diels-Alder reactions; Molecular Electron Density Theory; dieniminiums; superelectrophiles; global electron density transfer

Online: 23 June 2021 (11:10:59 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202105.0348.v1

3-Methoxycarpachromene and Masticadienonic Acid as New Target Inhibitors from Pistacia atlantica Leaves against Trypanothione Reductase of Leishmania Parasites: In Vitro and In Silico Studies

Saarra Maamri, Khedidja Benarous, Mohamed Yousfi

Subject: Biology And Life Sciences, Parasitology Keywords: Pistacia atlantica leaves; L. infantum; L. major; promastigote; antileishmanial; Masticadienonic acid, 3-Methoxycarpachromene; molecular docking.

Online: 14 May 2021 (15:36:40 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202101.0473.v1

Summarize of the Available Molecular Methods for Detection of Sars-Cov-2 During the Ongoing Pandemic

Fabio Arena, Simona Pollini, Gian Maria Rossolini, Maurizio Margaglione

Subject: Medicine And Pharmacology, Immunology And Allergy Keywords: molecular methods; virus; pandemic; Coronaviridae; COVID-19, diagnosis; UK variant; B.1.1.7 variant; 501Y.V2 variant

Online: 25 January 2021 (10:32:38 CET)

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Working Paper ARTICLE

Interface and Interphase in Polymer Nanocomposites with Bare and Core-Shell Metal Nanoparticles

Albert J. Power, Ioannis N. Remediakis, Vagelis Harmandaris

Subject: Chemistry And Materials Science, Polymers And Plastics Keywords: molecular dynamics simulations; gold; nanoparticles; core-shell; grafted; structural and dynamical properties of polymers; polyethylene

Online: 7 December 2020 (09:27:17 CET)

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Preprint ARTICLE | doi:10.20944/preprints202011.0685.v1

Fitting Together the Evolutionary Puzzle pieces of the Immunoglobulin T Gene from Antarctic Fishes

Alessia Ametrano, Marco Gerdol, Maria Vitale, Samuele Greco, Umberto Oreste, Maria Roria Coscia

Subject: Biology And Life Sciences, Anatomy And Physiology Keywords: teleost fish; Notothenioidei; genome modifications; IgT; exonic remnant; immunoglobulin domain; Antarctic marine environment; molecular evolution

Online: 27 November 2020 (11:31:09 CET)

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Preprint REVIEW | doi:10.20944/preprints202011.0667.v1

Conventional Breeding, Molecular Breeding and Speed Breeding; Brave Approaches to Revamp the Production of Cereal Crops

Muhammad Haroon, Muhammad Mubashar Zafar, Muhammad Awais Farooq, Rabail Afzal, Maria Batool, Fahad Idrees, Usman Babar, Abdu Saboor Khan, Huijuan Mo, Lin Li, Maozhi Ren

Subject: Biology And Life Sciences, Biochemistry And Molecular Biology Keywords: Plant breeding; Genome editing; Molecular breeding; Prime editing; Base editing; CRISPR Cas; Epigenetics; Speed breeding

Online: 26 November 2020 (11:17:56 CET)

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Preprint ARTICLE | doi:10.20944/preprints202009.0046.v1

Searching Hit Potential Antimicrobials in Natural Compounds Space Against Biofilm Formation

Roberto Pestana, Jorge Leyva, Juvenal Yosa

Subject: Physical Sciences, Atomic And Molecular Physics Keywords: Biofilms; virtual screening; molecular dynamics; natural products; binding energy; trans-Aconitic acid; hit-to-lead

Online: 3 September 2020 (03:53:16 CEST)

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Preprint REVIEW | doi:10.20944/preprints202004.0181.v1

Anti-Angiogenesis and Immunotherapy: Novel Paradigms to Envision Tailored Approaches in Renal Cell-Carcinoma

Antonella Argentiero, Antonio Giovanni Solimando, Markus Krebs, Patrizia Leone, Nicola Susca, Oronzo Brunetti, Vito Racanelli, Angelo Vacca, Nicola Silvestris

Subject: Medicine And Pharmacology, Oncology And Oncogenics Keywords: renal cell carcinoma; angiogenesis; immune-checkpoint inhibitor; tumor microenvironment; molecular subtypes; prognostic-biomarkers; predictive factors

Online: 12 April 2020 (04:48:44 CEST)

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Preprint REVIEW | doi:10.20944/preprints201912.0131.v1

In-Silico Methods for Investigating the Effect of Single Nucleotide Polymorphisms on the Structure and Function of Proteins: A Review

Ebenezer Asiedu

Subject: Biology And Life Sciences, Biochemistry And Molecular Biology Keywords: single nucleotide polymorphism; docking; molecular dynamics; in-silico studies; protein dynamics; missense; prediction algorithm; mutation

Online: 10 December 2019 (07:56:43 CET)

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Preprint ARTICLE | doi:10.20944/preprints201901.0097.v1

Cavity Closure of 2-Hydroxypropyl-β-cyclodextrin: Replica Exchange Molecular Dynamics Simulations

Khanittha Kerdpol, Jintawee Kicuntod, Peter Wolschann, Seiji Mori, Chompoonut Rungnim, Manaschai Kunaseth, Hisashi Okumura, Nawee Kungwan, Thanyada Rungrotmongkol

Subject: Chemistry And Materials Science, Theoretical Chemistry Keywords: 2-Hydroxypropyl-β-cyclodextrin (HPβCD); Replica exchange molecular dynamics (REMD); Conformational change; Cavity self-closure

Online: 10 January 2019 (11:43:44 CET)

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Preprint ARTICLE | doi:10.20944/preprints202409.0994.v1

Advances in Room Temperature of Indium Aluminum Nitride InAlN Deposition via Co-Sputtering DC for Solar Energy Applications

Juan David Cañón Bermudez, Luis Fernando Mulcué-Nieto

Subject: Physical Sciences, Condensed Matter Physics Keywords: InAlN solar cells; co-sputtering DC; room temperature; optical properties; morphological properties; low-cost synthesis; Indium Aluminum Nitride

Online: 12 September 2024 (12:58:45 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0383.v1

Identifying Oversold Levels and Developing Low-Frequency Trading Algorithms for the S&P 500: An Analysis Using Stochastic Oscillator, Williams %R, and Trading Volume

Chan Kyu Paik, Jinhee Choi, Ivan Ureta Vaquero

Subject: Business, Economics And Management, Finance Keywords: investment; trading; algorithm trading; market timing; ETF; S&; P 500; low-frequency trading; hit ratio, volume; oversold

Online: 4 September 2024 (16:27:56 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202408.2180.v1

Nonlinear Finite Element Analysis of Bone-Implant Contact in Three Short Dental Implant Models with Varying Osseointegration Percentages

Dawit Bogale Alemayehu, Masahiro Todoh, Song-Jeng Huang

Subject: Engineering, Mechanical Engineering Keywords: Biomechanical; Osseo-integration; Low-density; High-density; Cancellous bone; Short dental implant; Finite element analysis; bone-implant contact

Online: 29 August 2024 (14:26:57 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202407.2106.v1

Low-Dose Oral Misoprostol Versus Oxytocin Infusion For Induction Of Labor In Pregnant Women With Term Premature Rupture Of Membranes in China: A Prospective Nested Case-Control Study

Yike Yang, Zhiheng Yu, Huifeng Shi, Yan Wang, Yangyu Zhao

Subject: Medicine And Pharmacology, Obstetrics And Gynaecology Keywords: Premature rupture of membrane; Oxytocin infusion; Oral low-dose misoprostol; Vaginal delivery; Failed induction of labor; Postpartum hemorrhage

Online: 26 July 2024 (06:17:37 CEST)

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Oxytocin is recommended as the first-line choice for labor induction in term pregnant women with premature rupture of membranes (PROM); however, it can occasionally lead to failed induction and delivery complications. The primary objective of this study was to compare delivery information and outcomes following the administration of oxytocin infusion or oral low-dose misoprostol solution for labor induction in term PROM women with an unfavorable cervical condition. Methods: A prospective nested case-control study was conducted at a tertiary general hospital in China from March 2020 to February 2024, comparing oxytocin infusion and oral administration of 25ug misoprostol every 2 hours for labor induction in term PROM women with a Bishop score <6. A total of 449 mothers were included, with 282 in the oxytocin group and 167 in the misoprostol group. Results: The rates of vaginal delivery and failed induction were similar between the two groups. The duration of total labor time was shorter in the misoprostol group. There were no significant differences observed regarding the incidence of uterine hyperstimulation, fetal stress, or suspected intrauterine infection between the two groups; however, there was a markedly higher incidence of postpartum hemorrhage (PPH) and severe PPH but lower postpartum urinary retention (PPUR) observed in the oxytocin group. Logistic regression analysis revealed that misoprostol administration demonstrated a negative relationship (aOR: 0.46; 95% CI: 0.21-0 .95) with failed labor induction outcomes, while IVF-ET showed a positive association (aOR:3.12; 95% CI:1.49-6.43). Furthermore, there was a negative correlation identified between misoprostol administration and occurrence of PPH (aOR: 0.49; 95% CI: 0.27-0.85). Conclusions: Oral low-dose misoprostol has demonstrated both safe and superior efficacy to oxytocin infusion for labor induction and may potentially reduce the incidence of failed induction and associated with a decreased risk of PPH were observed in the misoprostol group in term PROM pregnant women with unfavorable cervical condition.

Preprint REVIEW | doi:10.20944/preprints202407.1749.v1

Low-Resource Time-to-Digital Converters for Field 4 Programmable Gate Arrays: A Review

Diego Real, David Calvo

Subject: Engineering, Electrical And Electronic Engineering Keywords: Time-to-Digital Converter; Field Programmable Gate Array; Low-resource Time-to-Digital Converters

Online: 22 July 2024 (14:45:36 CEST)

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Preprint REVIEW | doi:10.20944/preprints202407.0025.v2

Survey of Deep Learning Accelerators for Edge and Emerging Computing

Md Shahanur Alam, Chris Yakopcic, Qing Wu, Mark Barnell, Simon Khan, Tarek M. Taha

Subject: Engineering, Electrical And Electronic Engineering Keywords: AI Accelerator; AI Frameworks; Deep Learning; Edge Computing; Low Power Applications; Quantization; PIM or CIM Computing; Neuromorphic Computing

Online: 10 July 2024 (11:58:14 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202407.0512.v1

Evidence On Viral Suppression Supports Scaling-Up Transition To Dolutegravir-Based Regimens In Pediatric Populations In Cameroon: A Multicentre Baseline Assessment For The Cipher-Adola Study

Joseph FOKAM, Yagai Bouba, Rogers Awoh Ajeh, Dominik Tameza Guebiapsi, Suzane Essamba, Albert Franck Zeh Meka, Ebiama Lifanda, Rose Armelle Ada, Yakouba Liman, Nancy Barbara Mbengono, Audrey Raissa Dzaddi Djomo, Suzie Ndiang Tetang, Samuel Martin Sosso, Jocelyne Carmen Babodo, Olivia Francette Ndomo Ambomo, Edith Michele Temgoua, Caroline Medouane, Sabine Ndejo Atsinkou, Justin Leonel Mvogo, Roger Martin Onana, Jean de Dieu Anoubissi, Alice Ketchaji, Alex Durand Nka, Davy-Hyacinthe Anguechia Gouissi, Aude Christelle Ka’e, Nadine Nguendjoung Fainguem, Rachel Simo Kamgaing, Désiré Augustin Komego Takou, Michel Carlos Tommo Tchouaket, Ezechiel Ngoufack Jagni Semengue, Marie Atsama Amougou, Julius Nwobegahay, Comfort Vuchas, Anna Nya Nsimen, Bertrand Bille Eyoum, Sandra kenmegne Gatchuessi, Francis Ndongo Ateba, Daniel Kesseng, Serge Clotaire Billong, Daniele Armenia, Maria Mercedes Santoro, Francesca Ceccherini-Silberstein, Paul Ndombo Koki, Hadja Cherif Hamsatou, Vittorio Colizzi, Alexis Ndjolo, Carlo Federico Perno, Anne-Cécile Zoung-Kanyi Bissek

Subject: Medicine And Pharmacology, Medicine And Pharmacology Keywords: Virological suppression; low level viremia; children, adolescents, and young-adults; DTG-based regimen; elimination of paediatric AIDS; Cameroon.

Online: 5 July 2024 (12:31:56 CEST)

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Preprint CONCEPT PAPER | doi:10.20944/preprints202406.2008.v1

Integration of Indigenous Low Carbon Technologies with Novel Low Energy Mass Housing in Ladakh (U.T.)

Samar Singh Virdi

Subject: Engineering, Architecture, Building And Construction Keywords: Housing; Low Energy; nZEB; High Altitude; Mountainous Region; Energy Efficiency;
Sustainability; Green Building Technology; Economically Weaker Section.

Online: 28 June 2024 (06:05:40 CEST)

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Great Himalayan range with regions namely, Jammu & Kashmir, Ladakh and high altitude parts of north eastern states inherently experience high solar exposure, cold, arid climate and significantly challenging geography. With a scarcity of affordable public housing projects in these regions a grid enabled low energy residential prototype is proposed having the capability to operate on nearly zero consumption of heating and cooling energy with the application of indigenous and contemporary energy efficient passive design techniques. Preliminary study, development of design and reading of simulation results were applied for the performance and benefit analysis of the low energy building prototype. Analysis of the climatic zone further classified and narrowed the design criterion by confirming upon beneficial architectural components proven to be energy efficient. These architectural components include, optimization of direct solar gain and orientation of building envelope, modified trombe wall system, traditional sunrooms, solar chimney with openable vents, efficient spatial planning and compliance of relevant parameters such as window-wall-ratio (WWR). The proposed low energy housing for the economically weaker section is estimated to save nearly 50% of active fuel based household heating energy. Site has been planned in such a way that about 100% of required electricity can be generated from on site renewable energy for the proposed infrastructure, it is proven more beneficial if additional electricity is generated to offset the power supply and result in lower or subsidized electricity bills. Design is compliant to different codes relevant to energy conservation and low-income housing with an embodied carbon of about 1.2 kgCO2/m2 per dwelling unit giving ‘A’ grade in cradle to gate impacts. The findings and performance of this prototype can serve as a guideline for energy efficient design in low income group housing situated in severe cold and arid regions of India such as Ladakh (U.T.).

Preprint ARTICLE | doi:10.20944/preprints202406.0386.v1

Safety and Immunogenicity of the Nonavalent Human Papillomavirus Vaccine in Spanish Women Living with HIV

Maria del Carmen Hidalgo-Tenorio, Raquel Moya, Mohamed Omar, Leopoldo Muñoz, Antonio SamPedro, Javier Lopez-Hidalgo, Coral Garcia-Vallecillos, Patricia Gomez-Ronquillo

Subject: Medicine And Pharmacology, Internal Medicine Keywords: nonavalent HPV vaccine; high squamous intraepithelial lesions (HSIL); low squamous intraepithelial lesion (LSIL); WLHIV; anal cancer; cervical cancer

Online: 7 June 2024 (02:48:24 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202402.1202.v1

Modern River-Sand Geochemical Mapping in the Manufahi Municipality and its Surroundings, Timor-Leste: Implications for Provenance

Vital Cruz Malai Araujo Vilanova, Tomoyuki Ohtani, Satoru Kojima, Kazuma Yatabe, Nene Valente Soares Cristovao, Aniceta Araujo

Subject: Environmental And Earth Sciences, Geochemistry And Petrology Keywords: geochemical mapping; lithological mapping; river sands; principal component analysis; provenance; alteration; silicification; low-grade metamorphism; secondary mineral assemblage.

Online: 22 February 2024 (01:35:42 CET)

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Preprint ARTICLE | doi:10.20944/preprints202402.0995.v1

Experimental and Numerical Evaluation of Equivalent Stress Intensity Factor Models under Mixed-Mode (I+II) Loading

Estefania Gómez-Gamboa, Jorge Guillermo Díaz-Rodríguez, Jairo Andres Mantilla-Villalobos, Oscar Rodolfo Bohórquez-Becerra, Manuel del Jesús Martínez

Subject: Engineering, Mechanical Engineering Keywords: Equivalent Stress Intensity factor; Low-carbon steel; Mixed Mode I/II; Finite element method (FEM); Boundary element method

Online: 19 February 2024 (08:14:08 CET)

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Preprint ARTICLE | doi:10.20944/preprints202310.0194.v1

SARS-CoV-2 Impact on Red Blood Cell Morphology

Kirill Kondratov, Alexander Artamonov, Vladimir Mikhailovskii, Anastasiya Velmiskina, Sergey Mosenko, Evgeniy Grigoryev, Anna Anisenkova, Yuri Nikitin, Svetlana Apalko, Natalya Sushentseva, Andrey Ivanov, Sergey Shcherbak

Subject: Biology And Life Sciences, Cell And Developmental Biology Keywords: COVID-19; erythrocyte; red blood cells; cytokine storm; severe COVID-19; low voltage scanning electron microscopy; erythrocyte size

Online: 4 October 2023 (04:10:30 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202309.0461.v1

Preparation and Application of a Fast, Naked-Eye, Highly Selective and Sensitive Fluorescent Probe of Schiff Base for Detection of Cu2+

Juan Liu, Peng-Yu Cheng, Qi Wu, Sai Chen, Meng Wang, Kai Wei, Yuan Li, Yao-Yao Cao, Xi-Yao Liang, Xin Zeng, Xing Wang, Hong-Lei Li

Subject: Chemistry And Materials Science, Analytical Chemistry Keywords: fluorescent probe of schiff base; copper ion; high sensitivity and selectivity; good anti-interference ability; low detection limit

Online: 7 September 2023 (04:20:37 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202306.0491.v1

Further Explanation on the Excitation Mechanism of Stay Cable Vibration in Dry Conditions

Duy Thao Nguyen, Duy Hung Vo

Subject: Engineering, Civil Engineering Keywords: Dry-state galloping; excitation mechanism; Karman vortex; low-frequency-vortices; shedding correlation; along-wind component; vertical-wind component

Online: 7 June 2023 (05:33:12 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202305.1847.v1

Study on Emission Control of Berthing Vessels-Based on Non-cooperative Game Theory

Qin Wang, Minhang Jiang, Shiyao Man, Jiajie Zhou

Subject: Environmental And Earth Sciences, Sustainable Science And Technology Keywords: ship emissions; air pollution; ship emission control policies; emission reduction; non-cooperative game; green shipping; low sulfur fuel

Online: 26 May 2023 (04:29:39 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202304.1182.v1

Implementation of Deep Learning based Bi-Directional DC-DC Converter for V2V and V2G applications in Microgrid - An Experimental Investigation

Sreedhar Madichetty, Mohan Krishna Banda, Shanthi Kumar Nandavaram Banda

Subject: Engineering, Electrical And Electronic Engineering Keywords: Non-isolated bi-directional converter (NIBC) 2; V2V charger 3; Deep learning 4; High voltage 5; Low voltage

Online: 28 April 2023 (12:54:21 CEST)

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Preprint REVIEW | doi:10.20944/preprints202304.0736.v1

Biological Therapies Beyond PARP-Inhibitors in Advanced Breast Cancer Patients with Germline BRCA1/2 Mutations

Marta Nerone, Lorenzo Rossi, Rosaria Condorelli, Vilma Ratti, Fabio Conforti, Antonella Palazzo, Rossella Graffeo

Subject: Medicine And Pharmacology, Oncology And Oncogenics Keywords: advanced breast cancer; germline BRCA1/2 mutations; pathogenic/likely pathogenic variants; CDK4/6 inhibitors; Pi3Ka inhibitors; HER2-low

Online: 23 April 2023 (03:12:48 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202304.0443.v1

Direction of Arrival (DoA) Estimation Performance for Satellite Applications with Spatial Correlation in a Multipath Environment

Mutmainnah Hasib, Sithamparanathan Kandeepan, Wayne S. T. Rowe, Akram Al-Hourani

Subject: Engineering, Telecommunications Keywords: Direction of Arrival (DoA) Estimation; Multipath Environment; Geostationary Earth Orbit (GEO); Low Earth Orbit (LEO); and Spatial Correlation

Online: 17 April 2023 (10:21:49 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202303.0294.v1

Oscillations Analysis and Control Optimization of Hydraulic Turbine Based on Variable Speed Reaching Law

Xiaoping Huang, Wenzhe Huang, Qiu Lu

Subject: Engineering, Control And Systems Engineering Keywords: Hydroelectric units; Low frequency oscillation; Internal characteristic model; Sliding mode control; Robust control; HTRS(Hydro-turbine regulating system)

Online: 16 March 2023 (02:20:26 CET)

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Preprint ARTICLE | doi:10.20944/preprints202204.0169.v1

New and Perspective Directions for the Development of Active RC- and RLC- Filter Architectures of the Sallen-Key Family

Darya Denisenko, Vladislav Chumakov, Yuriy Ivanov, Nikolai Prokopenko

Subject: Engineering, Electrical And Electronic Engineering Keywords: Sallen-Key; active RC- filter; active RLC- filter; low pass filter; high pass filter; bandpass filter; rejection filter

Online: 18 April 2022 (11:34:20 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202107.0074.v1

DC Solid-State Circuit Breakers with Two-Winding Coupled Inductor for Low Voltage DC Microgrid

Jung Min Park, Chung Yuen Won, Hyung Jun Byun, Sung Hoon Kim, Si Hwan Kim

Subject: Engineering, Automotive Engineering Keywords: Solid-state DC circuit breaker; Coupled inductor; Pole-to-ground fault protection; LVDC(Low voltage DC) microgrid protection

Online: 5 July 2021 (07:58:00 CEST)

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Working Paper REVIEW

A Review on Mitigating Fear and Aggression in Dogs and Cats in a Veterinary Setting

Stefanie Riemer, Carmen Heritier, Ines Windschnurer, Christine Arhant, Lydia Pratsch, Nadja Affenzeller

Subject: Biology And Life Sciences, Animal Science, Veterinary Science And Zoology Keywords: Stress; fear; anxiety; aggression; veterinary visit; low-stress handling; counterconditioning; behaviour modification; anxiolytic medication; psychoactive drugs; dogs; cats

Online: 8 January 2021 (14:37:01 CET)

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Preprint ARTICLE | doi:10.20944/preprints201908.0269.v2

Factors Predicting the Physical Activity Behavior based on Theory of Reasoned Action among Chronic Low Back Pain of the Patients Referring to Comprehensive Health Service Centers in the Shahid Beheshti University of Medical Sciences in Tehran, Iran

Mohammad Hossein Delshad, Alireza Hidarnia, Fatemeh Pourhaji

Subject: Social Sciences, Psychology Keywords: Exercise; Health Behavior; Attitudes; Referral; Quality of Life; Low Back Pain; Health Services; Models; Outcome Assessment (Health Care)

Online: 11 December 2020 (11:32:36 CET)

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Background: Low-level physical activity (PA) among Chronic Low Back Pain (cLBP) is associated with various biopsychosocial factors. This research aimed to study the predictors of PA behavior among cLBP patients. Methods: In the present study 300 eligible patients with cLBP who referred to comprehensive health service centers in the Shahid Beheshti University of Medical Sciences (SBUMS) in Tehran, Iran were random selected.To diagnose the predictors of PA behavior, all the Theory of Reasoned Action (TRA) constructs were examined as risk factors to see if they influence on the probability of PA behavior occurrence and were interpreted through odds ratio (OR). SPSS version 19 was used to analyze the data. Results: Totally 280 cLBP patients with mean age of 57.07 ±13.09 years old participated in the study. This study showed that motivation to comply significant predictor the cLBP patients for subjective norm OR (%95CI): 2.095(0.116-2.792), p-value<0.001), intention was significant predictor for perform the PA behavior OR (%95CI): 1.431(0.138-1.538), p-value <0.001), behavior beliefs could predictor for attitude OR (%95CI): 1.276(0.106-1.355), p-value= 0.002). attitude, normative beliefs, subjective norm ,and evaluation outcome behavior could predictors the cLBP patients for intention to perform the PA behavior OR (%95CI): 1.188(0.032-1.312), p-value<0.001)., OR (%95CI): 1.158(0.076-2.208), p-value=0.003) ., OR (%95CI): 1.104(0.076-1.128), p-value<0.001) ., OR (%95CI): 0.814(0.301-1.440), p-value=0.007). Conclusions: This study showed that the cLBP patients who were normative beliefs and evaluation regarding PA behavior could effect on the intention to engage in greater PA than those via other constructs (attitude and subjective norm). This study showed that the cLBP patients who were normative beliefs and evaluation regarding PA behavior could effect on the intention to engage in greater PA than those via other constructs (attitude and subjective norm). This study showed that the cLBP patients who were normative beliefs and evaluation regarding PA behavior could effect on the intention to engage in greater PA than those via other constructs (attitude and subjective norm).

Preprint ARTICLE | doi:10.20944/preprints201909.0083.v2

When Green Infrastructure Turns Grey: Implications of Overdesign on Plant Water Stress

Min-cheng Tu, Joshua S. Caplan, Sasha W. Eisenman, Bridget M Wadzuk

Subject: Engineering, Civil Engineering Keywords: evapotranspiration; green infrastructure; HYDRUS; leaf water potential; low impact development; optimization; overdesign; stomatal conductance; simulated runoff test; static sizing; stormwater control measure; tree trench

Online: 15 January 2020 (07:28:40 CET)

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Preprint ARTICLE | doi:10.20944/preprints201902.0014.v1

Toward Optimality of Proper Generalised Decomposition Bases

Shadi Alameddin, Amélie Fau, David Néron, Pierre Ladevèze, Udo Nackenhorst

Subject: Engineering, Control And Systems Engineering Keywords: model order reduction (MOR); low-rank approximation; proper generalised decomposition (PGD); PGD compression; randomised SVD; nonlinear material behaviour.

Online: 1 February 2019 (10:41:27 CET)

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Preprint ARTICLE | doi:10.20944/preprints201902.0009.v1

Assessment of Thermal Stresses in Asphalt Mixtures at Low Temperatures Using the Tensile Creep Test and the Bending Beam Creep Test

Marek Pszczola, Mariusz Jaczewski, Cezary Szydlowski

Subject: Engineering, Civil Engineering Keywords: asphalt mixture; low-temperature cracking; Tensile Creep Test (TCT); Bending Beam Creep Test (BBCT); tensile strength; thermal stress;

Online: 1 February 2019 (09:45:08 CET)

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Preprint ARTICLE | doi:10.20944/preprints201811.0609.v1

Exploiting Autoimmunity Unleashed by an Off-Label Low-Dose Immune Checkpoint Blockade to Treat Advanced Cancer

Tibor Bakacs, Ralph W. Moss, A. Marcell Szasz, Colin C. Anderson

Subject: Medicine And Pharmacology, Oncology And Oncogenics Keywords: immune checkpoint inhibitors; immune-related adverse events (irAEs); tolerance; ipilimumab; nivolumab; interleukin-2; hyperthermia; low-dose-combination therapy

Online: 28 November 2018 (10:23:31 CET)

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As a result of the cancer immunotherapy revolution hundreds of clinical trials of the newly approved immunotherapies are now under way to improve responses. Not unexpectedly, the 2018 Nobel Prize in Physiology or Medicine was awarded to James P. Allison and Tasuku Honjo for their development of cancer therapy by blockade of co-inhibitory signals. While success stories of terminal cancer patients achieving complete remissions are accumulating, not enough research has been done into the risks of the new therapies. Since the use of immunotherapy is becoming more common, and is expected to develop into first- and second-line treatments, immunotoxicity and autoimmunity are emerging as the nemesis of immunotherapy. Immune-related adverse events (IrAEs) could affect any tissue, their incidence may reach up to 90% of patients and toxicity is dose-dependent. While the combination of two immune checkpoint inhibitors (ICIs) increased efficacy, the incidence of severe adverse events was also increased. Apparently, ICIs cannot be restricted to the targeted anti-tumor T cell population. The long lasting objective of cancer regression can only be achieved by paying a price: tolerance to healthy self tissues is compromised. In the face of an ipilimumab induced pan-lymphocytic activation, a therapeutic paradigm shift is required. The task is not desperately trying to put the genie back in the bottle by immune suppressive treatments, but instead harnessing the autoimmune forces by an off label low-dose combined anti-CTLA-4 and anti-PD1 antibody blockade, which is supplemented with conventional interleukin-2 stimulation and hyperthermia. The proof-of-principle of the low-dose-combination therapy was demonstrated in a heavily pre-treated triple negative breast cancer (TNBC) patient with far advanced pulmonary metastases and severe shortness of breath, who had exhausted all conventional treatment. Her pulmonary metastases went into complete remission with transient WHO I-II diarrhea and skin rash. She lived for 27 months after starting the low-dose-combination therapy. She had recurrence as a sternal mass and pleural metastases up to 3 cm. Since the low-dose-combination protocol consists only of approved drugs and treatments, this exceptional response should instigate further research efforts.

Preprint ARTICLE | doi:10.20944/preprints201708.0031.v1

Detection of Aβ(1-40) Protein in Human Serum as A Causative Agent of Alzheimer’s Disease by Strain Gauge Cantilever Biosensor Immobilizing Liposome Incorporating Cholesterol

Tomoya Taniguchi, Yuki Murakami , Masayuki Sohgawa , Kaoru Yamashita, Minoru Noda

Subject: Chemistry And Materials Science, Analytical Chemistry Keywords: cantilever; NiCr strain gauge; biosensor; liposome; amyloid beta; aggregation; fibrillization; interaction; human serum; digital low-pass filtering procedure

Online: 8 August 2017 (09:57:28 CEST)

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Preprint REVIEW | doi:10.20944/preprints202409.0013.v1

Revolutionizing Molecular Design for Innovative Therapeutic Applications through Artificial Intelligence

Ahrum Son, Jongham Park, Woojin Kim, Yoonki Yoon, Sangwoon Lee, Yongho Park, Hyunsoo Kim

Subject: Computer Science And Mathematics, Artificial Intelligence And Machine Learning Keywords: Computational Biology; Protein Engineering; Artificial Intelligence; Molecular Design; De Novo Protein Design; Therapeutic Proteins; Synthetic Biology

Online: 2 September 2024 (09:12:26 CEST)

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Preprint REVIEW | doi:10.20944/preprints202403.0467.v2

Exploring the Role of Circulating Cell-Free DNA in Disease Diagnosis and Therapy

Mohammad Odah

Subject: Biology And Life Sciences, Biochemistry And Molecular Biology Keywords: circulating cell-free DNA (ccfDNA); molecular diagnostics; liquid biopsies; cancer biomarkers; genomic sequencing; bioinformatics; personalized medicine

Online: 15 August 2024 (16:34:36 CEST)

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Preprint REVIEW | doi:10.20944/preprints202408.0272.v1

Advances in Protein Dynamics: Unraveling the Molecular Motions Underlying Biological Functions and Therapeutic Innovations

Ahrum Son, Woojin Kim, Jongham Park, Wonseok Lee, Yerim Lee, Hyunsoo Kim

Subject: Biology And Life Sciences, Biochemistry And Molecular Biology Keywords: Protein Dynamics; Structural Biology; Molecular Dynamics; Allosteric Regulation; Enzyme Catalysis; Artificial Intelligence; Protein Folding; Conformational Changes

Online: 6 August 2024 (04:44:33 CEST)

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Preprint REVIEW | doi:10.20944/preprints202407.1678.v1

Physiological and Molecular Mechanisms of Rice Tolerance to Salt and Drought Stress: Advances and Future Directions

Qingyang Li, Peiwen Zhu, Xinqiao Yu, Guolan Liu, Junying Xu

Subject: Biology And Life Sciences, Agricultural Science And Agronomy Keywords: salt and drought stress; physiological and molecular mechanisms; transcription factors; gene editing; multi-omics; smart agriculture

Online: 22 July 2024 (07:08:46 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202407.0023.v1

An In-silico Designing of Vaccine against All Serotypes of Dengue Virus Based on Virtual Screening of B-Cell and T-Cell Epitopes

Hikmat Ullah, Shaukat Ullah, Li Jinze, Fan Yang, Lei Tan

Subject: Biology And Life Sciences, Immunology And Microbiology Keywords: Dengue virus; in-silico designing; B cell epitope; T cell Epitopes; pan-serotype vaccine; molecular docking

Online: 1 July 2024 (09:12:15 CEST)

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Preprint REVIEW | doi:10.20944/preprints202407.0048.v1

Cellular and Molecular Biology of Mitochondria in Chronic Obstructive Pulmonary Disease

Chin-Ling Li, Shih-Feng Liu

Subject: Biology And Life Sciences, Biochemistry And Molecular Biology Keywords: chronic obstructive pulmonary disease; cellular and molecular biology of mitochondria; antioxidants and mitochondrial biogenesis; mitochondrial biomarkers

Online: 1 July 2024 (08:20:27 CEST)

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Abstract: Chronic Obstructive Pulmonary Disease (COPD) is a continually advancing respiratory disorder, characterized by enduring airflow limitation along with long-lasting inflammation in the airways. An expanding pool of evidence is emphasizing how mitochondrial dysfunction directly impacts the development and progression of COPD. This comprehensive review delves deeper into the intricate cellular and molecular biology of mitochondria within the framework of COPD, spotlighting significant alterations in structure and function that accompany mitochondrial dysfunction. In this narrative, we delve into the observed changes in mitochondrial shape, behavior, and respiratory chain complex alterations seen in individuals afflicted with COPD. The discussion includes implications on cellular signaling pathways and how this affects the natural process of programmed cellular death (apoptosis) and cellular aging, particularly in reference to COPD. Additionally, we consolidate ongoing therapeutic strategies, honing in on the management of COPD through a focus on mitochondrial dysfunction. Prominent among these strategies is the potential role of antioxidants and mitochondrial biogenesis inducers, which are emerging as promising fields of intervention. Furthermore, we embark on an overview of the possible use of mitochondrial biomarkers as innovative tools in diagnosing COPD, evaluating disease progression, and monitoring the efficacy of COPD treatments. As we unravel the rather complex interplay between mitochondrial biology and COPD, this review highlights the critical importance of formulating treatments that target mitochondrial dysfunction. The ultimate goal of these strategic interventions is to slow down the rate of COPD progression and significantly improve patient outcomes. Lastly, though our understanding of the nexus between COPD and mitochondrial dysfunction has significantly enhanced, ample scope remains for further investigation. Improved insights into the mechanisms of mitochondrial dysfunction, discovered biomarkers, and targeted therapies could encompass a revolutionary step towards comprehensive disease management. The future of COPD treatment seems to lean towards a combination of strategies, prioritizing not only the management of symptoms but also focused on preserving and restoring lung function, improving physical capacity, and enhancing quality of life for COPD patients.

Preprint REVIEW | doi:10.20944/preprints202405.2016.v1

Tolerance Mechanisms of Olive Tree (Olea europaea) Under Saline Conditions

Mohamed El Yamani, María del Pilar Cordovilla

Subject: Biology And Life Sciences, Plant Sciences Keywords: ; salt stress; tolerance; morphological adaptation; photosynthesis; antioxidant defense; osmotic adjustment; proteins; molecular mechanisms

Online: 30 May 2024 (08:33:54 CEST)

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Preprint REVIEW | doi:10.20944/preprints202405.1236.v1

Plant Viruses: A Historical and Scientific Exploration

Shobith Suresh

Subject: Biology And Life Sciences, Virology Keywords: Plant Virus; History; transmission; genome; Detection; biological era; biophysical era; molecular genetics era; viral diagnostics era

Online: 20 May 2024 (12:40:05 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202403.1766.v1

Revealing the Critical Role of Global Electron Density Transfer in the Reaction Rate of Polar Organic Reactions within Molecular Electron Density Theory

Luis R. Domingo, Mar Ríos-Gutiérrez

Subject: Chemistry And Materials Science, Organic Chemistry Keywords: Global electron density transfer; Molecular Electron Density Theory; Polar reactions; Interacting Quantum Atoms; Interacting Quantum Fragments.

Online: 28 March 2024 (14:20:44 CET)

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Preprint ARTICLE | doi:10.20944/preprints202403.0789.v1

Molecular Identification and Prevalence of the Mite Carpoglyphus lactis (Acarina: Carpoglyphidae) in Apis mellifera in the Republic of Korea

Thi-Thu Nguyen, Mi-Sun Yoo, Hyang-Sim Lee, So Youn Youn, Se-Ji Lee, Su-Kyoung Seo, Jaemyung Kim, Yun Sang Cho

Subject: Biology And Life Sciences, Animal Science, Veterinary Science And Zoology Keywords: Apis mellifera; Carpoglyphus lactis; Cytochrome c oxidase subunit 1 (COI) gene; Molecular identification; Republic of Korea

Online: 13 March 2024 (16:10:18 CET)

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Preprint ARTICLE | doi:10.20944/preprints202403.0474.v1

Prediction of Mismatch Repair Status in Endometrial Cancer from Histological Slide Images Using Various Deep Learning-Based Algorithms

Mina Umemoto, Tasuku Mariya, Yuta Nambu, Mai Nagata, Toshihiro Horimai, Shintaro Sugita, Takayuki Kanaseki, Yuka Takenaka, Shota Shinkai, Motoki Matsuura, Masahiro Iwasaki, Yoshihiko Hirohashi, Tadashi Hasegawa, Toshihiko Torigoe, Yuichi Fujino, Tsuyoshi Saito

Subject: Medicine And Pharmacology, Obstetrics And Gynaecology Keywords: endometrial cancer; deep learning; artificial intelligence; biomarker; mismatch repair; molecular classification; whole slide imaging; digital pathology

Online: 8 March 2024 (09:24:54 CET)

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Preprint ARTICLE | doi:10.20944/preprints202402.0757.v1

Understanding the SARS-CoV-2-Human Liver Interactome Using a Comprehensive Analysis of the Individual Virus-Host Interactions.

Giovanni Colonna

Subject: Biology And Life Sciences, Biochemistry And Molecular Biology Keywords: COVID19; Covid molecular mechanisms; SARS-CoV-2; Liver interactome; Liver proteome during COVID19; viral strategy; Ribosome.

Online: 13 February 2024 (15:59:01 CET)

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Preprint ARTICLE | doi:10.20944/preprints202402.0625.v1

Confinement of a Styryl Dye into Nanoporous aluminophosphates: Channels vs Cavities

Ainhoa Oliden-Sánchez, Rebeca Sola-Llano, Joaquín Pérez-Pariente, Luis Gómez-Hortigüela, Virginia Martínez-Martínez

Subject: Chemistry And Materials Science, Physical Chemistry Keywords: styryl dyes; aluminophosphates; photoactive hybrid systems; MgAPO; AEL framework; CHA framework; fluorescence; nanochannels; cavities; molecular sieves

Online: 12 February 2024 (09:04:37 CET)

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Preprint ARTICLE | doi:10.20944/preprints202310.1193.v1

Synthesis, Structure, DFT and In Silico Studies of Zn (II) Complex with Lipoic Acid: A Potential Antidiabetic Drug

Farkhod Jumabaev, Diyorbek Khayrullaev, Rukhsona Zakirova, Azamat Abdunazarov, Avez Sharipov

Subject: Chemistry And Materials Science, Inorganic And Nuclear Chemistry Keywords: Racemic α-lipoic acid; zinc; metallcomplex, in silico, DFT calculation; molecular docking simulation; target proteins; diabetes

Online: 19 October 2023 (08:09:26 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202310.0708.v1

Molecular and Associative Evaluation of ERG11, ERG3, CDR1, and SNQ2 Genes Linked to Fluconazole Resistance in Candida glabrata in a Colombian Population

Leidy Yurany Cárdenas Parra, Ana Elisa Rojas Rodríguez, Jorge Enrique Pérez Cárdenas, Juan Manuel Pérez-Agudelo

Subject: Public Health And Healthcare, Other Keywords: Candida glabrata; fungal drug resistance; reverse transcriptase polymerase chain reaction; fluconazole; molecular docking simulation; multivariate analysis

Online: 11 October 2023 (12:24:15 CEST)

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Preprint REVIEW | doi:10.20944/preprints202310.0626.v1

Reappraisal of the Concept of Accelerated Aging in Neurodegeneration and Beyond

Yauhen Statsenko, Nik V. Kuznetsov, Daria Morozova, Katsiaryna Liaonchyk, Gillian Lylian Simiyu, Darya Smetanina, Aidar Kashapov, Sarah Meribout, Klaus Neidl-Van Gorkom, Rifat Hamoudi, Fatima Ismail, Suraiya Anjum Ansari, Bright Starling Emerald, Milos Ljubisavljevic

Subject: Medicine And Pharmacology, Neuroscience And Neurology Keywords: aging; accelerated aging; brain aging; neurodegeneration; epigenetics; biological clocks; molecular biomarkers; rejuvenation; structural reserves; functional reserves

Online: 10 October 2023 (10:15:33 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202310.0042.v1

A Molecular Dynamics Simulation Study of In- and Cross-Plane Thermal Conductivity of Bilayer Graphene

Rafat Mohammadi, Mohammad Reza Ghaderi, Ebrahim Hajian

Subject: Engineering, Mechanical Engineering Keywords: bilayer graphene; in-plane and cross-plane thermal conductivities; non-equilibrium molecular dynamics; anisotropic thermal transport

Online: 2 October 2023 (05:09:39 CEST)

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Preprint REVIEW | doi:10.20944/preprints202309.0163.v1

Medical Application of Molecular Hydrogen to Diabetic Kidney Disease: Therapeutic Potential through Improvements in Mitochondrial Function

Shin-ichi Hirano, Yusuke Ichikawa, Bunpei Sato, Yoshiyasu Takefuji, Fumitake Satoh

Subject: Medicine And Pharmacology, Medicine And Pharmacology Keywords: molecular hydrogen; diabetic kidney disease; mitochondrial dysfunction; oxidative stress; in-flammation; reactive oxygen species; medical application

Online: 4 September 2023 (11:16:33 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202307.0489.v1

Autoantigens of Nervous System and Human Coronavirus Antigens: Is There a Possibility for Molecular Mimicry?

Natalia Y. Gavrilova, Muslimbek G. Normatov, Lidia A. Soprun, Vladimir J. Utekhin, Tamara V. Fedotkina, Leonid P. Churilov

Subject: Medicine And Pharmacology, Neuroscience And Neurology Keywords: molecular mimicry; post-COVID-19 syndrome; SARS-CoV-2; human coronaviruses; autoimmunity; autoantigens of nervous system

Online: 7 July 2023 (10:41:49 CEST)

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Preprint COMMUNICATION | doi:10.20944/preprints202305.0704.v2

Generating Potential Protein-Protein Interaction Inhibitor Molecules Based on Physicochemical Properties

Masahito Ohue, Yuki Kojima, Takatsugu Kosugi

Subject: Chemistry And Materials Science, Other Keywords: protein-protein interaction inhibitor; rule of five; rule of four; QEPPI; molecular generation; virtual chemical library

Online: 30 June 2023 (08:50:24 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202306.1963.v1

Exploring Silybin B as a FOXM1 Inhibitor in Glioblastoma Stem Cells: Molecular Docking, ADMET, and Molecular Dynamics Approaches

Kumari Swati, Sameer Quazi, Rashi Srivastava, Siva Prasad Panda, Kirti Agrawal, Anand Parkash, Dhruv Kumar

Subject: Medicine And Pharmacology, Oncology And Oncogenics Keywords: Glioblastoma Multiform (GBM); Cancer Stem Cella (CSC); Molecular Dynamics Simulation; In-silico; Phytochemical Screening; FOXM1; ADMET

Online: 28 June 2023 (08:23:27 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202306.1484.v1

Molecular Diet Analysis of Asian Clam for Estuarine Biodiversity Monitoring: A Case Study of Nakdong River Estuary

Kanghui Kim, Gea-Jae Joo, Kwang-Seuk Jeong, Ye-Lim Lee, Donghyun Hong, Hyunbin Jo

Subject: Biology And Life Sciences, Ecology, Evolution, Behavior And Systematics Keywords: Corbicula fluminea; Nakdong River Estuary; eDNA metabarcoding; biodiversity; molecular diet analysis; next-generation sequencing; 18S V9

Online: 21 June 2023 (05:31:05 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202306.0923.v1

Insight into the Clonal Lineage and Antimicrobial Resistance of Staphylococcus aureus from Vascular Access Infections before and during the COVID-19 Pandemic

Chih-Chen Kao, Chi-Hsiang Lai, Min Yi Wong, Tsung-Yu Huang, Yuan-Hsi Tseng, Yao-Kuang Huang

Subject: Medicine And Pharmacology, Epidemiology And Infectious Diseases Keywords: vascular access infections (VAIs); Staphylococcus aureus; antibiotic resistance; antibiotic resistance genes; multilocus sequence typing; molecular characterization

Online: 13 June 2023 (10:14:42 CEST)

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Preprint REVIEW | doi:10.20944/preprints202306.0803.v1

Recent Advances in Machine Learning-Based Chemoinformatics: A Comprehensive Review

Sarfaraz K Niazi, Zamara Mariam

Subject: Computer Science And Mathematics, Artificial Intelligence And Machine Learning Keywords: QSAR/QSPR; cheminformatics; small-molecules; AI/ML; molecular descriptors; biological activity; SAR; predictive modeling; computational validation

Online: 12 June 2023 (08:56:18 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202306.0605.v1

Synthesis and Evaluation of 99mTc-labeled PSMA-targeted Tracers Based on the Lys-urea-Aad Pharmacophore for Detecting Prostate Cancer with Single Photon Emission Computed Tomography

Kelly Lu, Chengcheng Zhang, Zhengxing Zhang, Hsiou-Ting Kuo, Nadine Colpo, François Bénard, Kuo-Shyan Lin

Subject: Chemistry And Materials Science, Medicinal Chemistry Keywords: prostate-specific membrane antigen (PSMA); technetium-99m; single photon emission computed tomography (SPECT); molecular imaging; HYNIC

Online: 8 June 2023 (08:11:15 CEST)

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Preprint REVIEW | doi:10.20944/preprints202306.0468.v1

Circulating miRNAs as a Tool for Early Diagnosis of Endometrial Cancer – Implications for the Fertility-sparing Process: Clinical, Biological and Legal Aspects

Roberto Piergentili, Giuseppe Gullo, Giuseppe Basile, Caterina Gulia, Alessandro Porrello, Gaspare Cucinella, Enrico Marinelli, Simona Zaami

Subject: Medicine And Pharmacology, Oncology And Oncogenics Keywords: Endometrial cancer (EC); assisted reproduction techniques (ART); miR-based; molecular evaluation; ethical and legal/regulatory implications

Online: 6 June 2023 (14:54:47 CEST)

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Preprint REVIEW | doi:10.20944/preprints202305.1589.v1

Are Protein Cavities and Pockets Commonly Used by Redox Active Signalling Molecules?

John T. Hancock

Subject: Biology And Life Sciences, Biochemistry And Molecular Biology Keywords: argon; hydrogen peroxide; hydrogen sulfide; hydroxyl radicals; molecular hydrogen; nitric oxide; peroxynitrite; protein cavities; superoxide; xenon

Online: 23 May 2023 (07:12:09 CEST)

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Preprint REVIEW | doi:10.20944/preprints202305.0031.v1

Mast Cells as a Potential Target of Molecular Hydrogen in Regulating the Local Tissue Microenvironment

Dmitri Atiakshin, Andrey Kostin, Artem Volodkin, Anna Nazarova, Viktoriya Shishkina, Dmitry Esaulenko, Igor Buchwalow, Markus Tiemann, Mami Noda

Subject: Medicine And Pharmacology, Pharmacology And Toxicology Keywords: molecular hydrogen; reactive oxygen intermediates; mast cells; secretome; specific mast cell proteases; local tissue microenvironment; inflammation

Online: 1 May 2023 (11:54:37 CEST)

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Preprint REVIEW | doi:10.20944/preprints202302.0312.v1

Prospects of Microfluidic Technology in Nucleic Acid Detection Approaches

Zilwa Mumtaz, Zubia Rashid, Ashaq Ali, Afsheen Arif, Fuad Ameen, Mona S. AlTami, Muhammad Zubair Yousaf

Subject: Biology And Life Sciences, Biology And Biotechnology Keywords: Nucleic acid detection; microfluidics; portable devices; molecular diagnostics; isothermal amplification; lab on chip; Nucleic Acid Testing

Online: 17 February 2023 (13:42:33 CET)

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Preprint ARTICLE | doi:10.20944/preprints202212.0299.v1

Designing of Multiepitope Subunit Vaccine Against Leptospirosis Using Immunoinformatics Approach

Kopal Kapoor, Amrutlal Patel, Satyamitra Shekh, Chaitanya G. Joshi

Subject: Biology And Life Sciences, Immunology And Microbiology Keywords: Leptospirosis; Multi-epitope vaccine; immuno-informatics; T-cell epitope; B-cell epitope; docking; molecular dynamic simulation

Online: 16 December 2022 (08:15:24 CET)

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Preprint ARTICLE | doi:10.20944/preprints202209.0250.v1

Kinetic Theory and Memory Effects of Homogeneous Inelastic Granular Gases Under Nonlinear Drag

Andrés Santos, Alberto Megías

Subject: Physical Sciences, Fluids And Plasmas Physics Keywords: granular gases; kinetic theory; Enskog--Fokker--Planck equation; direct simulation Monte Carlo; event-driven molecular dynamics

Online: 16 September 2022 (14:12:00 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202207.0110.v1

An Account of Models of Molecular Circuits for Associative Learning with Reinforcement Effect and Forced Dissociation

Zonglun Li, Alya Fattah, Peter Timashev, Alexey Zaikin

Subject: Computer Science And Mathematics, Applied Mathematics Keywords: associative learning; molecular circuits; synthetic biology; mathematical modeling; Hill equation; Pavlov’s dog; reinforcement; dissociation; non-dimensionalization

Online: 7 July 2022 (04:38:20 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202205.0366.v1

Electron-Phonon Coupling and Nonthermal Effects in Gold Nano-Objects at High Electronic Temperatures

Nikita Medvedev, Igor Milov

Subject: Physical Sciences, Condensed Matter Physics Keywords: Electron-phonon coupling; Nanoparticle; Ultrathin layer; Nonthermal melting; Tight-binding molecular dynamics; Boltzmann collision integrals; XTANT

Online: 26 May 2022 (10:44:54 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202110.0198.v1

Cell Cycle Regulation and DNA Damage Response Networks in Diffuse-and Intestinal-Type Gastric Cancer

Shihori Tanabe, Sabina Quader, Ryuichi Ono, Horacio Cabral, Kazuhiko Aoyagi, Akihiko Hirose, Hiroshi Yokozaki, Hiroki Sasaki

Subject: Medicine And Pharmacology, Pharmacology And Toxicology Keywords: BRCA1; cancer stem cell; cell cycle; epithelial-mesenchymal transition; DNA damage response; gastric cancer; molecular network

Online: 13 October 2021 (11:06:51 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202110.0178.v1

Assessment of the Contribution of a Thermodynamic and Mechanical Destabilization of Myosin–Binding Protein C Domain C2 to the Pathomechanism of Hypertrophic Cardiomyopathy–causing Double Mutation MYBPC3Δ25bp/D389V

Frederic V. Schwäbe, Emanuel K. Peter, Manuel H. Taft, Dietmar J. Manstein

Subject: Biology And Life Sciences, Biochemistry And Molecular Biology Keywords: cardiac muscle; cardiac contractility; force generation; enhanced molecular dynamics simulations; allostery; protein folding; disease; hypertrophic cardiomyopathy

Online: 12 October 2021 (12:20:26 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202107.0462.v1

Halogens in Acetophenones Direct the Hydrogen Bond Docking Preference of Phenol via Stacking Interactions

Charlotte Zimmermann, Manuel Lange, Martin A. Suhm

Subject: Chemistry And Materials Science, Analytical Chemistry Keywords: London dispersion; ketone complexes; density functional theory; hydrogen bonds; molecular recognition; vibrational spectroscopy; gas phase; benchmark

Online: 20 July 2021 (16:06:47 CEST)

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Preprint REVIEW | doi:10.20944/preprints202106.0609.v1

Treatment-Free Remission in Chronic Myeloid Leukaemia: Can We Identify Prognostic Factors?

Hilbeen Hisham Saifullah, Claire Marie Lucas

Subject: Medicine And Pharmacology, Immunology And Allergy Keywords: Chronic myeloid leukaemia; chronic phase; Tyrosine kinase inhibitor; Treatment free remission; deep molecular response; BCR-ABL.

Online: 25 June 2021 (08:13:40 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202105.0784.v1

New (Iso)Quinolinyl-Pyridine-2,6-dicarboxamide G-Quadruplex Ligands. A Structure-Activity Relationship Study

Enrico Cadoni, Pedro R. Magalhães, Rita M. Emídio, Eduarda Mendes, Jorge B. Vítor, Josué Carvalho, Carla Cruz, Bruno L. Victor, Alexandra Paulo

Subject: Chemistry And Materials Science, Analytical Chemistry Keywords: Quinoline; Isoquinoline; G-Quadruplex ligands; k-RAS; c-MYC; telomere; SAR; pyri-dine-dicarboxamide; molecular dynamics

Online: 31 May 2021 (14:03:28 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202105.0672.v1

Unveiling the Ionic Diels-Alder Reactions within the Molecular Electron Density Theory

Luis R. Domingo, Mar Ríos-Gutiérrez, María J. Aurell

Subject: Chemistry And Materials Science, Organic Chemistry Keywords: ionic Diels-Alder reactions; Molecular Electron Density Theory; iminium cations; superelectrophiles; global electron density transfer, asynchronicity.

Online: 27 May 2021 (13:56:43 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202105.0421.v1

Unveiling the Different Reactivity of Bent and Linear Three-Atom-Components Participating in [3+2] Cycloaddition Reactions

Mar Ríos-Gutiérrez, Luis R. Domingo, Fatemeh Ghodsi

Subject: Chemistry And Materials Science, Analytical Chemistry Keywords: [3+2] cycloaddition reactions; bent and linear three-atom-components; reactivity; regioselectivity; molecular electron density theory

Online: 18 May 2021 (11:19:57 CEST)

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Preprint REVIEW | doi:10.20944/preprints202101.0337.v1

Advanced Pediatric Diffuse Pontine Glioma Animal Models Pave the Way Towards Precision Medicine

Zirong Chen, Peng Peng, Xiaolin Zhang, Barbara Mania-Farnell, Guifa Xi, Feng Wan

Subject: Biology And Life Sciences, Biochemistry And Molecular Biology Keywords: Diffuse intrinsic pontine glioma; molecular biology; patient derived xenografts; genetically engineered mouse model; humanized mouse model

Online: 18 January 2021 (12:50:14 CET)

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Preprint CASE REPORT | doi:10.20944/preprints202012.0548.v1

Characterization of New ATM Deletion Associated with Hereditary Breast Cancer

Sandra Parenti, Claudio Rabacchi, Marco Marino, Elena Tenedini, Lucia Artuso, Sara Castellano, Chiara Carretta, Selene Mallia, Laura Cortesi, Angela Toss, Elena Barbieri, Rossella Manfredini, Mario Luppi, Tommaso Trenti, Enrico Tagliafico

Subject: Medicine And Pharmacology, Immunology And Allergy Keywords: next-generation sequencing; hereditary breast cancer; Homologous Recombination Repair; hereditary cancer syndrome; Clinical genomics; Molecular diagnostics

Online: 22 December 2020 (10:17:48 CET)

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Preprint ARTICLE | doi:10.20944/preprints202011.0047.v1

Stacking Effects on Anthraquinone/DNA Charge-Transfer Electronically Excited States

Gustavo Cárdenas, Juan J. Nogueira

Subject: Chemistry And Materials Science, Analytical Chemistry Keywords: Photodynamic Therapy; Charge Transfer; Electronically Excited States; Anthraquinone; DNA; Molecular Dynamics; TD-DFT; Transition-Density Analysis

Online: 2 November 2020 (14:15:09 CET)

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Preprint REVIEW | doi:10.20944/preprints202008.0642.v1

Gigantea: Uncovering New Functions in Flower Development

Claudio Brandoli, Cesar Petri, Marcos Egea-Cortines, Julia Weiss

Subject: Biology And Life Sciences, Plant Sciences Keywords: gene ontology; molecular function; cellular localization; biological function; circadian clock; flowering time; flower development; floral scent

Online: 28 August 2020 (11:42:40 CEST)

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Preprint REVIEW | doi:10.20944/preprints202004.0083.v1

Strengthening the Practical Application of Experiments Assessing Maize Drought Tolerance

Qinbin Zhang, Wei Wang

Subject: Biology And Life Sciences, Plant Sciences Keywords: drought-tolerance characteristics; maize breeding; maize drought tolerance; molecular markers; phenotype; screening of drought-tolerant plants

Online: 7 April 2020 (10:28:30 CEST)

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Preprint HYPOTHESIS | doi:10.20944/preprints202003.0247.v1

Prediction of Potential 3CLpro-Targeting Anti-SARS-CoV-2 Compounds from Chinese Medicine

Ning Sun, Wing-Leung Wong, Jiao Guo

Subject: Medicine And Pharmacology, Pharmacy Keywords: SARS-CoV-2; COVID-19; molecular docking; Chinese medicine; lithospermic acid B; specnuezhenide; neonuezhenide; rutin; neodiosmin

Online: 15 March 2020 (15:11:22 CET)

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Preprint ARTICLE | doi:10.20944/preprints202001.0279.v1

1H-Imidazole-2,5-Dicarboxamides as NS4A Peptidomimetics: Identification of a New Venue to Inhibit HCV-NS3 Protease

Abdelsattar M. Omar, Mahmoud A. Elfaky, Stefan T. Arold, Sameh H. Soror, Maan T. Khayat, Hani Z. Asfour, Faida H. Bamane, Moustafa E. El-Araby

Subject: Chemistry And Materials Science, Medicinal Chemistry Keywords: NS3 inhibitors; allosteric inhibitors; NS4A; peptidomimetics; imidazole; hepatitis C virus; molecular dynamics; Flaviviridae; DSLS; binding assay

Online: 24 January 2020 (11:11:46 CET)

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Preprint COMMUNICATION | doi:10.20944/preprints201812.0178.v2

Ecological Drivers of Species Distributions and Niche Overlap for Three Subterranean Termite Species in the Southern Appalachian Mountains, USA

Chaz Hyseni, Ryan Garrick

Subject: Biology And Life Sciences, Ecology, Evolution, Behavior And Systematics Keywords: biodiversity; biogeography; competitive exclusion; ecological niche model; molecular taxonomic identification; PCR-RFLP; Reticulitermes; saproxylic; species richness

Online: 17 January 2019 (03:55:36 CET)

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Preprint ARTICLE | doi:10.20944/preprints201811.0250.v1

High-throughput of measure-preserving integrators for constant temperature molecular dynamics simulations on GPUs

Luis Guarneros-Nolasco, Ketzasmin A. Terrón-Mejía, Jorge Mulia-Rodríguez, Daniel Osorio-Gonzalez, Roberto López-Rendón, Felipe Rodriguez-Romero

Subject: Physical Sciences, Mathematical Physics Keywords: High-Throughput Molecular Dynamics (HTMD) simulations; Nosé-Hoover Chain (NHC); Canonical ensemble; Graphics Processing Units (GPUs).

Online: 9 November 2018 (15:26:49 CET)

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Preprint REVIEW | doi:10.20944/preprints201804.0009.v1

Applications of the FIV Model to Study HIV Pathogenesis

Craig Miller, Zaid Abdo, Aaron Ericsson, John Elder, Sue VandeWoude

Subject: Biology And Life Sciences, Animal Science, Veterinary Science And Zoology Keywords: feline immunodeficiency virus; FIV; human immunodeficiency virus; HIV; animal models, opportunistic disease, lentiviral pathogenesis; molecular biology

Online: 2 April 2018 (07:54:28 CEST)

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Preprint ARTICLE | doi:10.20944/preprints201803.0003.v1

The Docking Studies of New Derivatives of N-Phenylanthranilic Acids as Inhibitors of Microsomal Prostaglandin E Synthase-1 (mPGES-1)

Marharyta M. Suleiman, Diana A. Alferova, Valentina V. Druhovina, Olena M. Sergienko, Natalya P. Kobzar, Olga V. Kiz

Subject: Chemistry And Materials Science, Medicinal Chemistry Keywords: derivatives of N-phenylanthranilic acids; anti-inflammatory activity; flexible molecular docking; microsomal prostaglandin E synthase-1

Online: 1 March 2018 (04:58:58 CET)

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Preprint ARTICLE | doi:10.20944/preprints202403.0224.v1

An Investigation into the Distribution of Fluctuating Wind Pressure and Associated Probabilistic Characteristics of Low-Rise Buildings Impacted by the Gap between the Hillside and the Building

Min Zhong, Chao Wang, Minghui Lin, Junyu Lu, Xiangjun Wang

Subject: Engineering, Civil Engineering Keywords: Fluctuating wind pressure distribution; Probabilistic properties; Low-rise buildings; Mountain form; The gap between the hillside and the building

Online: 5 March 2024 (06:39:04 CET)

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