Chemistry and Materials Science

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Review
Polymers and Plastics
Chemistry and Materials Science

Bhushan P. Meshram,

Amit Love,

Omdeo Gohatre

Abstract: Fast-moving consumer goods (FMCG) often use multilayer packaging (MLP), which consists of composites made up of separate layers of material. Even though a million tonnes of MLP are created annually, most package trash needs to be separated and recycled using the existing infrastructure, which is predominantly dependent on mechanical recycling. However, confronting circular economy principles, this review will foresee the challenges, opportunities, and future scenarios of multilayer packaging recycling. Challenges were identified: material complexity and compatibility, sorting separation technologies, contamination and residue management, lack of standardization and technology, loss of material properties, and cost considerations. Opportunities were identified: design for recyclability, enhanced sorting and separation techniques, and advanced recycling technologies. The future scenario of recycling technologies for MLP in upcoming years was identified, which includes (i) reprocessing to hydrocarbon, (ii) high-performance recycling, (iii) downcycling, and (iv) business as usual. The short-term opportunities for MLP's efficient recycling represent the recognized gap between recycling technologies and targets.
Article
Food Chemistry
Chemistry and Materials Science

Eshetie Gelagay Erku,

Habtamu Admassu Admassu Tessema

Abstract: Garden cress (Lepidium sativum) seeds, from the Brassicaceae family, are rich in essential fatty acids and possess medicinal properties due to their phenol and flavonoid content. Oil extraction was performed using Soxhlet extraction with hexane as the solvent, investigating the effects of heat treatment, particle size, and extraction time on oil yield. A maximum predicted oil yield of 28.65% was achieved using Design Expert software (version 12.0.0), validated with an actual yield of 28.53%. The physical properties of the oil were determined as density (700 ± 10 kg/m³), viscosity (67.65 ± 1.15 mm²/s), and refractive index (1.47). Chemical properties included a free fatty acid value of 0.64%, peroxide value of 3.59 meq/kg, iodine value of 127 g I₂/100 g, and saponification value of 183.84 mg KOH/g. GC-MS analysis revealed that the oil contains 47.81% monounsaturated, 37.88% polyunsaturated, and 14.26% saturated fatty acids.
Article
Surfaces, Coatings and Films
Chemistry and Materials Science

Nilanthi P Haputhanthrige,

Mojtaba Rajabi,

Oleg D Lavrentovich

Abstract:

Spatially-varying alignment of liquid crystals is essential for research and applications. One widely used method is based on the photopatterning of thin layers of azo-dye molecules, such as Brilliant Yellow (BY), that serve as an aligning substrate for a liquid crystal. In this study, we examine how photopatterning conditions, such as BY layer thickness (b), light intensity (I), irradiation dose, and age affect the alignment quality and the strength of the azimuthal surface anchoring. The azimuthal surface anchoring coefficient, W, is determined by analyzing the splitting of integer disclinations into half-integer disclinations at prepatterned substrates. The strongest anchoring is achieved for b in the range of 5–8 nm. W increases with the dose, and within the same dose, W increases with I. Aging of a non-irradiated BY coating above 15 days reduces W. Sealed photopatterned cells filled with a conventional nematic preserve their alignment quality for up to four weeks, after which time W decreases. This work suggests the optimization pathways for photoalignment of nematic liquid crystals.

Article
Chemical Engineering
Chemistry and Materials Science

Vishal Murali

Abstract:

Ethanol has always been an integral part of our daily life. We often use ethanol knowingly or unknowingly in many formats. Industrialists use ethanol as a primary or secondary solvent in the synthesis of organic materials, as a cleaning/ sanitising solvent which can sanitise the area where it is applied onto. As a fuel, ethanol can be used as an additive to standard gasoline to make the fuel cleaner and greener. A greener commute/ travel is currently possible dominantly with the usage of electric vehicles (EVs). However, the EV infrastructure is in the primitive stages where the growth is not that exceptional as it expected but there is a steady growth. To catch up with the conventional fuels, it would take a considerable amount of time. In order to cut down the carbon footprint in the present, the addition of green additives in the fuels are the suggested actions. With countries like India initiating the action to bring down the gasoline consumption by increasing the ethanol content to a 20% by 2030, there is a good market for additives like ethanol and butanol which can be produced using a green way. There is also a concern with backwards compatibility of the EV with fuel which is not compatible. To make majority of the vehicles cleaner and greener bio-based additives are the go-to. The necessity of biofuels due to the reasons above has increased in the recent years which led to an increase in the production and the costs associated with the production. To cut down the costs associated with the production; process intensification techniques are utilised to reduce the time to process the raw materials to products. Intensification techniques like reactive distillation, pervaporation had been the norm to perform two-unit operations in the same machinery. In the recent years with the introduction of microbubbles, the addition of hot microbubbles has solved the long unsolved Mpemba effect along with the ability to perform multiple unit operations altogether. This project aspires to develop a Multiphysics model where the modelled system initially represents a single air microbubble in a reservoir of a binary mixture of ethanol and water in a 2-D axisymmetric domain and perform a parametric sweep on the bubble to incorporate hotter bubbles and observe its behaviour. The model is scaled up to a two-bubble system to find the optimum separation of bubbles where interaction is nil and the heat distribution I even across the system. A 3-D geometry is generated with the simulation from the 2-bubble system using the optimal distance where bubbles are generated using COMSOL’s application builder to build the ideal microbubble system and simulate the same.

Communication
Physical Chemistry
Chemistry and Materials Science

Ning-Ning Zhang,

Xiang-Tong Liu,

Ke Xu,

Ya-Tong Liu,

Lin-Xu Liu,

Yong Yan

Abstract: Photo-thermo-electric conversion devices represent a promising technology for converting solar energy into electrical energy. Photothermal materials, as a critical component, play a significant role in efficient conversion from solar energy to thermal energy and subsequently to electrical energy, thereby directly influencing the overall system's solar energy utilization efficiency. However, the application of single-component photothermal materials in photo-thermo-electric conversion systems remains limited. The exploration of novel photothermal materials with broad-spectrum absorption, high photothermal conversion efficiency (PCE), and robust output power density is highly desired. In this study, we investigated a black cuprous halide compound, [Cu2Cl2PA]n (1, PA = phenazine), which exhibits broad-spectrum absorption extending into the near-infrared (NIR) region. Compound 1 demonstrated a high NIR-I PCE of 50% under irradia-tion of an 808 nm laser, attributed to metal-to-ligand charge transfer (MLCT) from Cu(I) to PA ligands and strong intermolecular π–π interactions among PA ligands. Furthermore, the pho-to-thermo-electric conversion device constructed using compound 1 achieved a notable output voltage of 261 mV and an output power density of 0.92 W/m² under the 1 Sun (1000 W/m²) xenon lamp.
Article
Organic Chemistry
Chemistry and Materials Science

Aleksei E. Machulkin,

Stanislav A. Petrov,

Maria D. Kraynova,

Anastasiia S. Garanina,

Bayirta V. Egorova,

Roman V. Timoshenko,

Alexander N. Vaneev,

Alexander S. Erofeev,

Anna B. Priselkova,

Mikhail A. Kalinin

+4 authors
Abstract: Nowadays PSMA ligands are widely used for radiotheragnostic purposes of prostate cancer. The goal of this study was to synthesize and estimate stability in vitro of copper complex with diacetate bispidine ligand (Bisp1), its bifunctional derivative (Bisp-alkyne) and its conjugate – bispidine-PSMA ligand (PSMA-Bisp) to evaluate the possibility of applying one as radiotheragnostic agent. The synthesis for PSMA-Bisp conjugate was developed and realized with good yields. All newly synthesized compounds were characterized by a set of physicochemical methods: 1H and 13C NMR, HRMS and LCMS (for final molecules). Subsequently, Bisp1 and Bisp-alkyne and its derivative PSMA-Bisp were labelled by 64Cu at mild conditions. In vitro studies of the labelled conjugate [64Cu]Cu-PSMA-Bisp have shown the great stability in model solutions. Finally, [64Cu]Cu-PSMA-Bisp was compared to well-known PSMA-617 conjugate labelled with 64Cu and they have showed similar stability in excess of bovine serum (BVS), and at the same time labelling PSMA-Bisp with 64Cu is characterized by extremely high kinetics at mild conditions, while labeling PSMA-617 with 64Cu requires heating (90 °C) [PMCID: PMC5435610]. Thus, the conjugate PSMA-Bisp could be promising candidate for further investigations expanded in vitro and in vivo investigations.
Article
Metals, Alloys and Metallurgy
Chemistry and Materials Science

Jiadong Li,

Yinglin Guo,

Xiaojiao Wang,

Dong Zhang,

Zhenluo Yuan,

Shiqian Zhao,

Yanping Fan

Abstract: Metal hydride hydrogen compressors have attracted great attention due to their reliable safety, environmental friendliness, and the absence of vibration and noise. Herein, the effects of Ti substitution for Zr on the crystal structure and hydrogen comprehensive performance of Ti0.92+xZr0.1-xCr1.0Mn0.6Fe0.4 (x = 0, 0.01, 0.02, 0.03) are investigated systematically. Among the investigated alloys, the Ti0.94Zr0.08Cr1.0Mn0.6Fe0.4 alloy can be considered as a promising candidate for application with a hydrogen capacity of 1.82 wt.% under 9 MPa at -10 °C. Meanwhile, it exhibits excellent hydrogen absorption kinetic performance, reaching 1.655 wt.% in 5 min. The desorption pressure at 83.9 °C is determined to be 25 MPa by Van't Hoff fitting plots, which fulfills the requirement of producing over 25 MPa hydrogen pressure in water-bath environments with a high compression ratio of 3.08. The Ti0.94Zr0.08Cr1.0Mn0.6Fe0.4 alloy is very promising for hydrogen refueling applications in long tube trailers and low-pressure gas cylinders.
Article
Polymers and Plastics
Chemistry and Materials Science

Amrita Milling,

Giuseppina Amato,

Su Taylor,

Pedro Moreira,

Daniel Braga

Abstract: Understanding the mechanical properties of the grid component of textile-reinforced mortars (TRM) is critical because they directly influence the behaviour and strengthening capabilities of the composite. This study explored the dynamic tensile behaviour of a bi-directional basalt fibre grid using a high-speed servo-hydraulic direct tensile testing machine with specialised grips. Failure mode and deformation were captured with a high-speed camera. Tensile strain values were extracted from the recorded images using a Matlab computer vision tool - 'vision.PointTracker'. Specimen sizes of one and four rovings were tested at intermediate (1-8/s) and quasi-static (10-3/s) strain rates for comparison. After the tensile tests, scanning electron microscopy (SEM) analyses were performed to examine the microscopic failure of the grid. Linear and non-linear stress-strain behaviours were observed in the range of 10-3 to 1/s and 4 to 8/s, respectively. Increased strain rate enhanced tensile strength, ultimate strain, toughness, and elastic modulus. Overall, the dynamic increase factors for these properties, except for the elastic modulus, were between 1.4 and 2.3. At the macroscopic level, the grid generally failed in a brittle manner. However, microscopic analysis revealed that the fibre and polymer coating were strain rate sensitive. The enhanced tensile performance of the grid under dynamic loading circumstances makes it suitable for retrofitting structures prone to extreme loading conditions.
Article
Applied Chemistry
Chemistry and Materials Science

Jingru Wang,

Xianshu Dong,

Yuping Fan,

Yingyong Wang,

Xiangyun Guo

Abstract: The hydrogenation of levulinic acid (LA) is an important route to prepare high-value biomass-based platform compound γ-valerolactone (GVL). Herein, a highly efficient RuIr alloy bimetallic catalyst supported on SiC for the aqueous hydrogenation of levulinic acid (LA) into γ-valerolactone (GVL) under mild conditions. The RuIr/SiC catalyst exhibited a high LA conversion and GVL selectivity (both >99%) in water under 0.2 MPa H2 pressure at 25 oC. The excellent performance is due to the synergistic effect of Ru and Ir nanoparticles on the semiconducting SiC. Moreover, the activity of RuIr/SiC alloy catalyst did not change significantly after 5 cycles, indicating that the bimetallic alloy catalyst has high stability.
Article
Organic Chemistry
Chemistry and Materials Science

Iwona Kowalczyk,

Anna Koziróg,

Adrianna Szulc,

Anna Komasa,

Bogumil Eugene Brycki

Abstract:

Cationic gemini surfactants are used due to their broad spectrum of activity, especially surface, anticorrosive and antimicrobial properties. Mixtures of cationic and anionic surfactants are also increasingly described. In order to investigate the effect of anionic additive on antimicrobial activity, experimental studies were carried out to obtain MIC (minimal inhibitory concentration) against E. coli and S. aureus bacteria. Two gemini surfactants (12-6-12 and 12-O-12) and two single quaternary ammonium salts (DTAB and DDAC) were analyzed. The most commonly used commercial compounds of this class, i.e. SDS and SL, were used as anionic additives. In addition, computer quantum-mechanical studies were also carried out to confirm the relationship between the structure of the mixture and the activity.

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