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Preprint REVIEW | doi:10.20944/preprints202409.2005.v1

Research Progress on CoCrCuNi High-Entropy Alloys

Fachang Zhao, Xingming Zhao, Tianzhi Jiang, Honglin Li, Xue Liu, Ziqing Ai, Rongda Zhao, Fufa Wu

Subject: Chemistry And Materials Science, Metals, Alloys And Metallurgy Keywords: high-entropy alloys; CoCrCuNi system; microstructure; mechanical properties

Online: 25 September 2024 (17:59:35 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.2033.v1

Study on the Influences of Idler Materials on Rolling Electrical Contact Performance

Haihong Wu, Zhiyuan Qian, Chuankun Qu, Lei Zhang, Huiqun Liu, Xiao Kang

Subject: Chemistry And Materials Science, Surfaces, Coatings And Films Keywords: flexible ring; Idler; electrical contact; material transfer; wear

Online: 25 September 2024 (15:35:42 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.2001.v1

Development of an Eco-Friendly Nanogel Incorporating Pectis brevipedunculata Essential Oil as Larvicidal Agent Against Aedes aegypti

Estela Mesquita Marques, Raiene Lisboa Rocha, Clenilma Marques Brandão, Júlia Karla de Albuquerque Melo Xavier, Marcos Bispo Pinheiro Camara, Caritas de Jesus Silva Mendonça, Roberto Batista de Lima, Melissa Pires Souza, Emmanoel Vilaça Costa, Renato Sonchini Gonçalves

Subject: Chemistry And Materials Science, Nanotechnology Keywords: thermoresponsive nanogel; Pectis brevipendunculata essencial oil; Aedes aegypti

Online: 25 September 2024 (12:10:31 CEST)

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Preprint REVIEW | doi:10.20944/preprints202409.2007.v1

Rechargeable Solid-State Batteries: Insights from a Cross-Sectional Thematic and Bibliometric Analysis

Raj Bridgelall

Subject: Chemistry And Materials Science, Applied Chemistry Keywords: Solid-state lithium-ion battery; Electric vehicles; Ionic conductivity; Dendrite suppression; Thermal management; Cycle life; Energy density; Electrode-electrolyte interface; Performance evaluation; Battery architecture

Online: 25 September 2024 (12:06:16 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1903.v1

Novel Acid-Assisted Polymerization Technique for Synthesis of Polyaniline Films at Room Temperature: Morphological Study and Supercapacitor Applications

Stephen Boahene, Štěpán Potocký, Kateřina Aubrechtová Dragounová, Elena Tomšík, Alexander Kromka

Subject: Chemistry And Materials Science, Electrochemistry Keywords: polyaniline (PANI); acid-assisted polymerization; glassy carbon (GC); electrochemistry

Online: 25 September 2024 (04:38:03 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1936.v1

Properties and Photocuring Behavior of Ceramic Polymer Composite Slurries with Varying Concentration of Silane Coupling Agent

Kook-Hyun Ryu, Ung-Soo Kim, Jin-Ho Kim, Jung-Hoon Choi, Kyu-Sung Han

Subject: Chemistry And Materials Science, Materials Science And Technology Keywords: Silane coupling agent; Al2O3 slurry; Rheology; Photocuring; Internal structure analysis

Online: 25 September 2024 (04:23:01 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1905.v1

An Open Frame Loading Stage for High-Resolution Microtomography

David Plappert, Georg C. Ganzenmüller

Subject: Chemistry And Materials Science, Materials Science And Technology Keywords: in-situ; computed tomography; CT; loading frame; fibre reinforced composites

Online: 24 September 2024 (14:05:18 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1885.v1

Development of cost-effective Sn-free Al-Bi-Fe alloys for efficient onboard hydrogen production through Al-Water reaction

Rui Deng, Mingshuai Wang, Hao Zhang, Ruijun Yao, Kai Zhen, Yifei Liu, Xingjun Liu, Cuiping Wang

Subject: Chemistry And Materials Science, Metals, Alloys And Metallurgy Keywords: Aluminum alloy; Gas atomization; Hydrolysis; Hydrogen production; Microstructure characterization; Activation energy

Online: 24 September 2024 (10:18:49 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1825.v1

Efficient Recovery of Silver and Aluminum from End-of-Life Photovoltaics: A Two-Step Leaching Approach

James Malumbo Mwase, Stefanie Wahl, Sylke Meyer, Duygu Yilmaz

Subject: Chemistry And Materials Science, Metals, Alloys And Metallurgy Keywords: Recycling; solar panels; silver; aluminum; lead; leaching; recovery

Online: 24 September 2024 (09:23:07 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1831.v1

Thermodynamic Properties of Two Cinnamate Derivatives with Flavor and Fragrance Features

Vera L.S. Freitas, Carlos A. O. Silva, Maria D.M.C. Ribeiro da Silva

Subject: Chemistry And Materials Science, Physical Chemistry Keywords: Fragrance compounds; Enthalpy of combustion; Enthalpy of vaporization; Enthalpy of formation; Hydrogenation Enthalpy; Ethyl (2E)-3-phenylacrylate; ethyl 3-phenylpropanoate

Online: 24 September 2024 (09:18:11 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1793.v1

Advanced HPLC Method with Diode Array Detection Using a Phenyl-Bonded Column for Simultaneous Quantitation of Three Sunscreen Filters in a Moisturizing Sunscreen Cream for Acne-Prone Skin

PANAYIOTIS FEIDIAS, Irene Panderi, GEORGIA ELENI TSOTSOU, IOANNA BALATSOUKA, SPYRIDON PAPAGEORGIOU, ATHANASIA VARVARESOU

Subject: Chemistry And Materials Science, Analytical Chemistry Keywords: 4-methylbenzylidene camphor; Enzacamene; Octyl methoxycinnamate; 2-ethylhexyl-4-methoxycinnamate, Avobenzone; Butyl methoxydibenzoylmethane; Cosmetics; Sunscreen; HPLC; Quality Control

Online: 24 September 2024 (05:12:56 CEST)

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This study introduces a novel, robust, and efficient method for the simultaneous quantitative determination of three sunscreen filters namely 4-methylbenzylidene camphor, octyl methoxycinnamate, and avobenzone, in a moisturizing sunscreen cream specifically designed for acne-prone skin. The method employs high performance liquid chromatography with photodiode-array detection, providing reliable separation of the analytes. Chromatographic separation was achieved using a Fortis Phenyl analytical column (150.0 x 2.1 mm, 5 μm), with isocratic elution at a flow rate of 0.4 mL/min. The mobile phase was composed of a 57/43 (v/v) mixture of acetonitrile/45 mM aqueous ammonium formate solution, ensuring sufficient resolution and peak symmetry for the target compounds. The method was validated comprehensively for critical performance parameters, including linearity, precision, accuracy, and robustness. Linearity was established across a suitable range for all three analytes, with high correlation coefficients. Precision was confirmed with intra-run and total precision coefficients of variation of ≤ 4.6 %, while accuracy assessments yielded a percent recovery between 98.6 and 100.4, for all quality control levels. Additionally, the method was able to effectively separate the sunscreen filters from other cosmetic ingredients, such as [β-(1.3), (1.6)-D-glucan], Low Molecular Weight (LMW) hyaluronic acid and plant extracts ensuring specificity in complex formulations. This straightforward and time efficient sample preparation process, involving methanol extraction followed by serial dilution, makes the method suitable for routine quality control in cosmetic laboratories. The method was successfully applied to the analysis of two different lots of a commercial sunscreen cream, achieving excellent recovery for all filters, ranging between 94.6% and 99.8%, thus demonstrating its reliability and applicability for the quality control of cosmetics.

Preprint ARTICLE | doi:10.20944/preprints202409.1796.v1

Harnessing AI in Information Technology to Optimize Nanoparticle Synthesis via Photochemical Methods

Abiodun Okunola

Subject: Chemistry And Materials Science, Other Keywords: nanoparticle synthesis; photochemical methods; artificial intelligence; machine learning; predictive modeling; optimization

Online: 24 September 2024 (05:10:21 CEST)

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Preprint REVIEW | doi:10.20944/preprints202409.1712.v1

Exploring Silica Nanoparticles: A Sustainable Solution for Pest Control in Sri Lankan Rice Farming

Zeyu Wang, Nirusha Thavarajah, Xavier Fernando

Subject: Chemistry And Materials Science, Materials Science And Technology Keywords: silica nanoparticles; biopesticide; nanopesticide

Online: 24 September 2024 (03:50:56 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1787.v1

Influence of Al and Ti Alloying and Annealing on the Microstructure and Compressive Properties of Cr-Fe-Ni Medium-Entropy Alloy

Keyan An, Tailin Yang, Junjie Feng, Honglian Deng, Xiang Zhang, Zeyu Zhao, Qingkun Meng, Jiqiu Qi, FuXiang Wei, Yanwei Sui

Subject: Chemistry And Materials Science, Metals, Alloys And Metallurgy Keywords: high-entropy alloy; Al and Ti elements; annealing heat treatment; second phase strengthening; compressive properties

Online: 24 September 2024 (03:07:19 CEST)

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Preprint REVIEW | doi:10.20944/preprints202409.1804.v1

Recent Advancements In Hplc Method Development And Validation: Pushing The Boundaries Of Analysis

Shreya Talreja, Shashank Tiwari

Subject: Chemistry And Materials Science, Analytical Chemistry Keywords: Method Development; Method Optimization; Chromatographic Conditions; Mobile Phase; Stationary Phase; Gradient Elution; Isocratic Elution; Sample Preparation; Detection Methods; UV-Vis Detection

Online: 23 September 2024 (15:04:55 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1802.v1

Investigation of Scaling and Materials Performance in Simulated Geothermal Brine

David Martelo, Briony Holmes, Namrata Kale, Samuel Warren Scott, Shiladitya Paul

Subject: Chemistry And Materials Science, Electrochemistry Keywords: Geothermal energy; Calcite scaling; anti-scaling materials; Coatings; TSA; Corrosion

Online: 23 September 2024 (14:34:13 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1799.v1

Shape Memory Polymer Foam Based on Nanofibrillar Composites of Polylactide/Polyamide

Dhanumalayan Elumalai, Ramin Hosseinnezhad, Vladislav Bondarenko, Jerzy Morawiec, Iurii Vozniak, Andrzej Galeski

Subject: Chemistry And Materials Science, Materials Science And Technology Keywords: shape memory; polymer foams; polymer-polymer nanocomposites; supercritical carbon dioxide foaming

Online: 23 September 2024 (14:21:48 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1769.v1

The Entropy of Mixing in Self-Assembly and the Role of Surface Tension in Modeling the Critical Micelle Concentration

Frank Müh

Subject: Chemistry And Materials Science, Physical Chemistry Keywords: critical micelle concentration; detergent; Flory-Huggins theory; free volume; molecular surface; molecular thermodynamic modeling; solubility; surface tension; transfer free energy; volume fraction

Online: 23 September 2024 (12:48:28 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1665.v1

Carbon Dots and Their Films with Narrow Full Width At Half Maximum Orange Emission

Jiangchen Wu, Jianan Liu, Xinghua Liu, Jingxia Zheng, Lin Chen, Yongzhen Yang, Chunhui Su

Subject: Chemistry And Materials Science, Nanotechnology Keywords: phloroglucinol; orange emissive carbon dots; fluorescent films; narrow full width at half maximum

Online: 23 September 2024 (08:56:40 CEST)

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Preprint REVIEW | doi:10.20944/preprints202409.1650.v1

Nano-Engineering Halide Perovskites: Towards Energy Harvesting, Nano-Plasmon Sensing and Photoflexoelectric Potential Applications

Taame Abraha Berhe, Wei-Nien Su, Bing Joe Hwang

Subject: Chemistry And Materials Science, Materials Science And Technology Keywords: nano-engineering; microscopic origin; strain; energy harvesting; photo-sensing; Nano-plasmonic sensing; photoflexoelectricity; halide perovskites

Online: 23 September 2024 (08:09:02 CEST)

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Halide perovskite are known by their (1) organic inorganic hybrid and (2) inorganic halide perovskite. Having this in mind, monolithic perovskite/silicon tandem solar cell has already demonstrated extraordinarily high performance in the field of photovoltaic with current efficiency of 29.15%, breaking the efficiency limit for silicon solar cell. Currently, halide perovskites become successful not only in photovoltaic but also in many other related potential optoelectronic applications. Because of this reason, the origin of their multifunctional properties, remarkable energy harvesting and emitting efficiency and the corresponding potential applications in various optoelectronic devices become controversial issues and hot topics of academic research this time. In this review, nano-engineering strategies, microscopic origins and mechanisms are reviewed well to make clarity on what the origin of multifunctional properties such as tunability, ferroelasticity, piezoelectricity, pyroelectricity and thermoelectric properties of halide perovskites. Moreover, the coexistence of multiple properties makes halide provskites possible for synergistic applications and multifunctional perspectives such as emerging energy harvesting, conversion technologies, nano-plasmonic sensing and electromechanical applications, which are now open for the scientific community for further detail investigations. To successfully explore this field, advanced nanometer scale domain characterization tools are highly relevant to understand the microscopic origin of these electrical properties; aid the commercial enterprises and the research institutions. Not only the microscopic origin but also identifying factors and issues affecting the successful understanding and presence or absence of these electrical parameters should be primary task in this review. Finally, the big challenges for operation of halide perovskites owing to temperature, moisture, light, air, etc. induced material degradation and device deteriorations as well as lattice instability, nano scale defects, surface and bulk defects should be considered while dealing with these future research topics.

Preprint ARTICLE | doi:10.20944/preprints202409.1642.v1

In-Situ Multiphysical Metrology for Photonic Wire Bonding by Two Photon Polymerization

Yu Lei, Wentao Sun, Xiaolong Huang, Yan Wang, Jinling Gao, Xiaopei Li, Rulei Xiao, Biwei Deng

Subject: Chemistry And Materials Science, Materials Science And Technology Keywords: two-photon polymerization; photonic wire bonding; in-situ SEM; optical loss; mechanical reliability

Online: 23 September 2024 (02:31:33 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1596.v1

Research on Catalytic Pyrolysis Process of Coconut Coat of Tropical Agricultural and Forestry Wastes

Shitao Zhi, Mingyuan Gao, Jin Li, Tao Pan

Subject: Chemistry And Materials Science, Organic Chemistry Keywords: Catalytic pyrolysis; Biomass; Liquid product; Bio-oil

Online: 22 September 2024 (06:37:46 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1592.v1

Analysis of the Bactericidal Properties of Filtration Nonwovens Containing Active Nanoparticles of ZnS, TiO₂ and Nano-Ag

Dominik Borkowski, Konrad Sulak, Piotr Czarnecki, Sławomir Kęska, Paulina Sobczak, Krystyna Guzińska, Zbigniew Draczyński

Subject: Chemistry And Materials Science, Polymers And Plastics Keywords: nonwoven of PLA; titanium (IV) oxide; zinc oxide; nano-Ag; antibacterial activity test; SEM/EDS

Online: 22 September 2024 (06:35:36 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1653.v1

Development of a Rapid Detection Method for Ethylene Glycol and Glycolic Acid in Feline Samples: A Response to Increasing Antifreeze Poisoning Incidents in Korea

HyunYoung Chae, Jae Won Byun, Go-Eun Shin, Kyunghyun Lee, Ah-Young Kim, Bok-Kyung Ku, Md Akil Hossain, Tae-Wan Kim, JeongWoo Kang

Subject: Chemistry And Materials Science, Analytical Chemistry Keywords: Antifreeze poisoning; Ethylene glycol; Glycolic acid; Rapid determination method

Online: 21 September 2024 (06:15:31 CEST)

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Preprint REVIEW | doi:10.20944/preprints202409.1618.v1

Fouling of Reverse Osmosis (RO) and Nanofiltration (NF) Membranes by Low Molecular Weight Organic Compounds (LMWOCs), Part 1: Fundamentals and Mechanism

Yasushi Maeda

Subject: Chemistry And Materials Science, Materials Science And Technology Keywords: fouling; organic fouling; internal fouling; surface fouling; flow loss; reverse osmosis; nanofiltration; NOM; EfOM; surfactant; phonolics; plasticizaer; leachables; antiplasticization; octanol-water partition coefficient; pore size; network pore; aggregate pore; free volume

Online: 20 September 2024 (11:31:25 CEST)

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Reverse osmosis (RO) and nanofiltration (NF) are ubiquitous technologies in modern water treatment, finding applications across various sectors. However, the availability of high-quality water suitable for RO/NF feed is diminishing due to droughts caused by global warming, increasing demand, and water pollution. As concerns grow over the depletion of precious freshwater resources, a global movement is gaining momentum to utilize previously overlooked or challenging water sources, collectively known as “marginal water.” Fouling is a serious concern when treating marginal water. In RO/NF, biofouling, organic and colloidal fouling, and scaling are particularly problematic. Of these, organic fouling, along with biofouling, has been considered difficult to manage. The major organic foulants studied are natural organic matter (NOM) for surface water and groundwater and effluent organic matter (EfOM) for municipal wastewater reuse. Polymeric substances such as sodium alginate, humic acid, and proteins have been used as model substances of EfOM. Fouling by low molecular weight organic compounds (LMWOCs) such as surfactants, phenolics, and plasticizers is known, but there have been few comprehensive reports. This review aims to shed light on fouling behavior by LMWOCs and its mechanism. LMWOC foulants reported so far are summarized, and the role of LMWOCs is also outlined for other polymeric membranes, e.g., UF, gas separation membranes, etc. Regarding the mechanism of fouling, it is explained that the fouling is caused by the strong interaction between LMWOC and the membrane, which causes the water permeation to be hindered by LMWOCs adsorbed on the membrane surface (surface fouling) and sorbed inside the membrane pores (internal fouling). Adsorption amounts and flow loss caused by the LMWOC fouling were well correlated with the octanol-water partition coefficient (log P). In part 2, countermeasures to solve this problem and applications using the LMWOCs will be outlined.

Preprint REVIEW | doi:10.20944/preprints202409.1601.v1

Recent Overview and Future Research Prospects of Cross-linked Polyethylene Materials: Cross-linking Methods and Applications

Jie Zhang, Jingwei Li, Hongbin Li, Ming Yang, Yake Li, Yunxia Qi, Yiquan Xu, Wei Hu, Baijun Liu

Subject: Chemistry And Materials Science, Polymers And Plastics Keywords: cross-linked polyethylene; cross-linking method; application; performance

Online: 20 September 2024 (08:11:27 CEST)

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Preprint REVIEW | doi:10.20944/preprints202409.1552.v1

Polysaccharide-Based Bioplastics: Eco-Friendly and Sustainable Solutions for Packaging

Ashoka Gamage, Punniamoorthy Thiviya, Anuradhi Liyanapathiranage, M.L. Dilini Wasana, Yasasvi Jayakodi, Amith Bamdara, Asanga Manamperi, Rohan S. Dassanayake, Philippe Evon, Othmane Merah, Terrence Madhujith

Subject: Chemistry And Materials Science, Surfaces, Coatings And Films Keywords: Active packaging; Alginates; Bioplastics; Carrageenan; Cellulose; Chitin; Chitosan; Gellan gum; Intelligent packaging; Polysaccharides; Starch

Online: 20 September 2024 (05:46:39 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1509.v1

The Role of Feather Pre-Treatment and Alkaline Hydrolysis Conditions in Enhancing the Antioxidant Activity of Keratin

Agara Sommer, Antoni Taraszkiewicz, Hanna Staroszczyk

Subject: Chemistry And Materials Science, Food Chemistry Keywords: alkaline hydrolysis; feather keratin; feather pre-treatment methods; antioxidant activity

Online: 19 September 2024 (20:12:22 CEST)

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Preprint REVIEW | doi:10.20944/preprints202409.1549.v1

A Systematic Review of AI-Driven Prediction of Fabric Properties and Handfeel

Yi-fan Tu, Mei-ying Kwan, Kit-lun Yick

Subject: Chemistry And Materials Science, Materials Science And Technology Keywords: fabric handfeel prediction; AI in textiles; textile property prediction; tactile simulation

Online: 19 September 2024 (15:54:50 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1481.v1

Flour Treatments Affect Gluten Protein Extractability, Secondary Structure, and Antibody Reactivity

Bruna Mattioni, Michael Tilley, Patricia Matos Scheuer, Niraldo Paulino, Umut Yucel, Donghai Wang, Alicia de Francisco

Subject: Chemistry And Materials Science, Food Chemistry Keywords: wheat; glutenin; gliadin; celiac disease ;

Online: 19 September 2024 (11:59:41 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1464.v1

Comparison of Biowaste Fillers Extracted from Fish Scales and Collagen on the Mechanical Properties of High-Density Polyurethane Foams

Zodidi Obiechefu, Stanley Chibuzor Onwubu, Deneshree Naidoo, Thabang Hendrica Mokhothu, Phumlane Selby Mdluli

Subject: Chemistry And Materials Science, Polymers And Plastics Keywords: Biowaste fillers; Fish scales; Collagen; Polyurethane foams; Mechanical properties; Sustainability

Online: 19 September 2024 (11:31:46 CEST)

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Preprint REVIEW | doi:10.20944/preprints202409.1495.v1

Application of Inorganic-Based Nanoparticles and Bionanomaterials as Biocompatible Scaffolds for Regenerative Medicine and Tissue Engineering: Current Advances and Developments

Nabanita Saikia

Subject: Chemistry And Materials Science, Biomaterials Keywords: regenerative medicine; inorganic biomaterials; nanoparticles; tissue engineering; nanotechnology

Online: 19 September 2024 (10:50:21 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1442.v1

Preparation and Characterization of Cellulose/Silk Fibroin Composites Microparticles for Drug Controlled-Release Applications

Suchai Tanisood, Yodthong Baimark, Prasong Srihanam

Subject: Chemistry And Materials Science, Materials Science And Technology Keywords: blue dextran; cattail; cellulose; microparticle; silk fibroin; water-in-oil emulsification-diffusion

Online: 19 September 2024 (09:53:05 CEST)

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Microparticles derived from biomaterials are becoming increasingly popular for various applications, particularly in drug delivery systems. In this study, the water-in-oil (W/O) emulsification-diffusion method was used to create cellulose (C), silk fibroin (SF), and C/SF composite microparticles. We then observed the morphology of all obtained microparticles using scanning electron microscopy (SEM), evaluated their functional groups using attenuated total reflection Fourier transform infrared spectroscopy (ATR-FTIR), and conducted thermogravimetric analysis using a thermogravimetric analyzer (TGA). SEM micrographs indicated that the native SF microparticles have the highest spherical shape with smooth surfaces. With blue dextran, the C microparticle was smaller compared to the native microparticle, while the drug-loaded SF microparticles were bigger than the native microparticle. The morphological surfaces of the C/SF composite microparticles were varied in shape and surface depending on the C/SF ratio used. The spherical shape of the C/SF composite microparticle was increased as SF content increased. Furthermore, the size of drug-loaded C/SF composite microparticles was gradually increased by the SF content. The significant functional groups in the C and SF structures were identified based on the ATR-FTIR data, and a suggestion was made regarding the interaction between the functional groups of each polymer. When compared to both native polymers, the C/SF composite microparticles exhibit improved thermal stability. The C/SF composite microparticle at a 1:3 ratio had the lowest drug release content, whereas the hydrophilicity of the C microparticle affected the highest drug release content. As a result, one crucial factor affecting the medication released from the microparticle is its thermal stability. According to the obtained results, C, SF, and C/SF composite microparticles show promise as delivery systems for drugs with controlled release.

Preprint ARTICLE | doi:10.20944/preprints202409.1452.v1

Bimetallic Mesoporous MCM-41 Nanoparticles with Ta/(Ti, V, Co, Nb) with Catalytic and Photocatalytic Properties

Viorica Parvulescu, Gabriela Petcu, Nicoleta G. Apostol, Irina Atkinson, Simona Petrescu, Adriana Baran, Daniela C. Culita, Ramona Ene, Bogdan Trică, Elena M. Anghel

Subject: Chemistry And Materials Science, Nanotechnology Keywords: Ta/Me-MCM-41; Me (Nb; Ti; V; Co); bimetallic catalysts; photocatalysts; olefine oxidation; organic pollutants

Online: 19 September 2024 (07:44:25 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1423.v1

Sustainable Synthesis of New Antioxidants from Hydroxytyrosol by Direct Biocatalytic Esterification in Ionic Liquids

Susana Nieto, Inmaculada Lozano, Francisco J. Ruiz, Jose F. Costa, Rocio Villa, Pedro Lozano

Subject: Chemistry And Materials Science, Applied Chemistry Keywords: hydroxytyrosol; applied biocatalysis; green processes; sponge-like ionic liquids; antioxidants

Online: 19 September 2024 (03:41:11 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1427.v1

Chiral Sodium Glicerophosphate Catalyst for Enantioselective Michael Reactions of Chalcones

Giovanni Ghigo, Julia Rivella, Alessio Robiolio Bose, Stefano Dughera

Subject: Chemistry And Materials Science, Organic Chemistry Keywords: conjugate addition; organocatalyst; chiral catalyst

Online: 18 September 2024 (15:34:19 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1358.v1

Quantitation of EPA and DHA in Fish Oil Dietary Supplements Sold in the United States

Joseph E. Hilton, William N. Setzer, Prabodh Satyal, Ambika Poudel, Sawyer Ashcroft, Rakesh Satyal

Subject: Chemistry And Materials Science, Analytical Chemistry Keywords: Fish oil; EPA; DHA; Label Claim; of ω -3 fatty acid

Online: 18 September 2024 (12:12:31 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1349.v1

Historical Analysis of Resilience in Spanish Desalination Companies: Period 1980-2024

Borja Montano

Subject: Chemistry And Materials Science, Food Chemistry Keywords: Desalination Industry; Renewable; Energy Integration

Online: 18 September 2024 (12:08:06 CEST)

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Preprint SHORT NOTE | doi:10.20944/preprints202409.1348.v1

Optimized Nanocellulose-Based Magnetic Metal-Organic Frameworks for Antibiotic Adsorption: A Cutting-Edge Strategy in Environmental Remediation

Pham Vu Nhat Uyen, Dang Anh Tuan

Subject: Chemistry And Materials Science, Chemical Engineering Keywords: Nanocellulose; Metal-Organic Frameworks; Water Remediation; Antibiotic Adsorption; Environmental Sustainability

Online: 18 September 2024 (12:00:59 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1389.v1

Nanostructured Polymer Dispersed Liquid Crystals Using a Ferroelectric Smectic a Liquid Crystal

Masaki Yamaguchi, Hiroyuki Matsukizono, Yasushi Okumura, Hirotsugu Kikuchi

Subject: Chemistry And Materials Science, Applied Chemistry Keywords: Polymer dispersed liquid crystals; Memory effect; Birefringence; Molecular orientation

Online: 18 September 2024 (10:21:53 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1340.v1

Enhanced Chemical Stability of Tetramethylammonium Head Groups via Deep Eutectic Solvent: A Computational Study

Mirat Karibayev, Bauyrzhan Myrzakhmetov, Yanwei Wang, Almagul Mentbayeva

Subject: Chemistry And Materials Science, Physical Chemistry Keywords: Tetramethylammonium Head Groups; Deep Eutectic Solvent; Anion Exchange Membranes; Chemical Stability; Density Functional Theory; Molecular Dynamics; Ylide Formation; Nucleophilic Substitution

Online: 18 September 2024 (08:24:16 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1305.v1

Effect of Surface Roughness on the Electrochemical Behavior and Corrosion Resistance of TiTaNbZrAg Alloy with Different Amount of Tantalum in Bulk Composition

Gabriel Dobri, Alexandra Banu, Cristina Donath, Elena Ionela Neacsu, Mihai Anastasescu, Monica Elisabeta Maxim, Cora Vasilescu, Loredana Preda, Maria Marcu

Subject: Chemistry And Materials Science, Biomaterials Keywords: titanium alloys; corrosion; biomaterials; PBS; surface roughness

Online: 18 September 2024 (03:08:11 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1343.v1

A MEDT Study of the Reaction Mechanism and Selectivity of the Hetero Diels-Alder Reaction between 3-Methylene-2,4-chromandione and Methyl Vinyl Ether

Abderrazzak Bouhaoui, Aziz Moumad, Luis Ramon Domingo, Latifa Bouissane

Subject: Chemistry And Materials Science, Organic Chemistry Keywords: Molecular Electron Density Theory; Hetero Diels-Alder; ambident heterodiene; 3-methylene-2,4-chromandione; methyl vinyl ether; pseudocyclic selectivity; Relative Interacting Atomic Energy

Online: 17 September 2024 (16:49:30 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1337.v1

Exploring the Application of Advanced Chromatographic Methods to Characterize the Surface Physicochemical Properties and Transition Phenomena of Polystyrene-b-Poly(4-vinylpyridine)

Tayssir Hamieh

Subject: Chemistry And Materials Science, Materials Science And Technology Keywords: Adsorption; London dispersion interaction; dispersive and polar free surface energy; enthalpy and entropy of adsorption; Hamieh thermal model; glass transition; Lewis’s acid-base surface energies

Online: 17 September 2024 (14:05:51 CEST)

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Preprint REVIEW | doi:10.20944/preprints202409.1288.v1

Development of Slow-Release Fertilizers with Function of Water Retention Using Eco-Friendly Starch Hydrogels

Yue Song, Litao Ma, Qingfei Duan, Huifang Xie, Huaran Zhang, Xinyi Dong, Long Yu

Subject: Chemistry And Materials Science, Biomaterials Keywords: slow-release fertilizers; superabsorbent polymer; hydrogel; starch

Online: 17 September 2024 (11:57:32 CEST)

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Various slow-release fertilizers (SRFs) have been developed and commercialized, particularly over the past two decades, with the primary aim of mitigating environmental issues associated with excessive fertilizer use. A range of methodologies, including chemical and physical reactions, incorporation into carriers with porous and layered structures, and coating techniques, have been explored and refined. On the other hand, dry and desertification are big challenges for agriculture in many countries in the world. Application of hydrogels or superabsorbent polymers as carrier materials to develop SRFs could add the function of moisture retention. This paper reviewed the development of application eco-friendly starch hydrogels as fertilizer carrier and water retention to develop SRFs, in particular starch-based superabsorbent polymers through grafting copolymerization with acrylamide. The reviewer includes both scientific issues like general microstructures of various starch hydrogels and releasing mechanisms, and technical development involving copolymerization technologies, multi-initialization and loading fertilizer into hydrogel etc. Starch, recognized as one of the most abundant carbohydrate polymers, is both biodegradable and renewable. It exhibits excellent chemical stability and high reactivity. The fabrication technique of starch hydrogels though grafting polymerization have been developed from batch chemical reaction in aqueous solution to high efficient and no-solvent reactive extrusion. The benefits of SRFs based on starch hydrogel encompass enhanced soil aeration, prevention of soil deterioration, minimization of water evaporation, environmental pollution control, reduction in plant mortality, and prolonged nutrient retention within the soil. Based on the literatures and our experience, we have not only discussed and summarized the achievements, but also pointed out the weakness of current technologies and proposed research directions in this review.

Preprint ARTICLE | doi:10.20944/preprints202409.1277.v1

Impact of Zirconium Carbide Particles on the Microstructure and Mechanical Characteristics of As-Cast and Heat Treated Al7475-Zirconim Carbide Composites

Vijayakumar R, Vidyadhar Pujar, Hemanth Raju T, Jagadeesha T, Udayashankar S, Dayanand M. Goudar, K. Raju, Deesy G. Pinto

Subject: Chemistry And Materials Science, Materials Science And Technology Keywords: Al7475; Zirconium carbide; Heat Treatment; Tensile Strength; Compression Strength

Online: 17 September 2024 (08:34:19 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1243.v1

Research on the Influence of Matrix Shape on Percolation Threshold Values for Current Flow Conducted Using the Monte Carlo Simulation Method

Vitalii Bondariev, Pawel Okal, Przemyslaw Rogalski, Alexander Pogrebnjak, Pawel Zukowski

Subject: Chemistry And Materials Science, Nanotechnology Keywords: percolation; conductivity; nanocomposite; matrix; simulation

Online: 17 September 2024 (02:56:02 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1159.v1

Hydrogen and CO Over-Equilibria in Catalytic Reactions of Methane Reforming

Vitaliy R. Trishch, Mykhailo O. Vilboi, Gregory S. Yablonsky, Dmytro O. Kovaliuk

Subject: Chemistry And Materials Science, Chemical Engineering Keywords: modelling; optimization; methane reforming; chemical equilibrium; conservatively perturbed equilibrium; extremum; CPE point

Online: 16 September 2024 (10:08:23 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1126.v1

Quality-Downgraded Fluorinated Carbon Nanotubes as Eco-Additives in Microgel Composites for Sustained Water Release

Favour Levechi Ezeogu, Gunendra Prasad Ojha, Promise Uzoamaka Otuokere, Mohammad Tarequl Islam, Tony Grady, Yunxiang Gao

Subject: Chemistry And Materials Science, Materials Science And Technology Keywords: carbon nanotubes; fluorinated carbon; waste reuse; microgel; polyacrylamide; composites; water retention; sustained release; materials sustainability; eco-friendly

Online: 14 September 2024 (09:41:20 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1087.v1

Gopal as a Sustainable Alternative: Chemical, Rheological, and Mechanical Insights

Anwar Yamin, Zuni Asih Nurhidayati, Laely Fitria Hidayatiningrum, Dani Hamdani

Subject: Chemistry And Materials Science, Biomaterials Keywords: Bio-asphalt; Gondorukem; crude palm oil; chemical properties; rheological properties; mechanical properties; FTIR; EDX

Online: 14 September 2024 (07:40:09 CEST)

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Preprint SHORT NOTE | doi:10.20944/preprints202409.1071.v1

(4aS, 5S, 6aR, 10aR, 10bR)-5-Methoxy-9,9-Dimethyl-4a, 5,6a, 7,10a, 10b-Hexahydro-12H-[1,3]dioxino[4′, 5’:5,6]pyrano[4,3-b][1,2, 3]triazolo[1,5-d][1,4]oxazine

Leticia Lomas Romero, Guillermo E. Negrón Silva, Ricardo Corona Sánchez, Elsie Ramírez Domínguez, Atilano Gutiérrez Carrillo, Alma Sánchez Eleuterio

Subject: Chemistry And Materials Science, Organic Chemistry Keywords: 1,2,3-triazoles; click chemistry; carbohydrates; morpholine-fused [5,1-c]-triazole

Online: 14 September 2024 (05:35:38 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1038.v1

The Thermomechanical, Functional and Biocompatibility Properties of an Au-Pt-Ge Alloy for PFM Dental Restorations

Peter Majerič, Minja Miličić Lazić, Dijana Mitić, Marko Lazić, Ema Krdžović Lazić, Gyöngyi Vastag, Ivan Anžel, Vojkan Lazić, Rebeka Rudolf

Subject: Chemistry And Materials Science, Biomaterials Keywords: Au-Pt-Ge; noble alloys; PFM alloys; thermomechanical properties; biocompatibility

Online: 13 September 2024 (14:54:18 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1077.v1

Research on B₄C/PEEK Composite Material Radiation Shielding

Hongxia Li, Hongping Guo, Hui Tu, Xiao Chen, Xianghua Zeng

Subject: Chemistry And Materials Science, Inorganic And Nuclear Chemistry Keywords: radiation shielding; simulation; hardening component; B4C/PEEK; composite material

Online: 13 September 2024 (10:48:13 CEST)

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Preprint REVIEW | doi:10.20944/preprints202409.0950.v1

The Impact of Freeze Drying on Bioactivity and Physical Properties of Food Products

Nurten Coşkun, Sümeyye Sarıtaş, Yassine Jaouhari, Matteo Bordiga, Sercan Karav

Subject: Chemistry And Materials Science, Food Chemistry Keywords: Freeze drying; physical property; bioactive property; flavor; waste by-product

Online: 13 September 2024 (04:08:37 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.1027.v1

Biomimetic Elastomeric Conductive Coatings for the iCub Robotic Skin and the Hannes Prosthetic Hand

Emilie Forestier, Nicolo Boccardo, Simeone Dussoni, Michele Canepa, Marco Maggiali, Ilker S. Bayer

Subject: Chemistry And Materials Science, Materials Science And Technology Keywords: Biobased ink; carbon nanofibers; conductive coatings; stretchable coatings

Online: 12 September 2024 (15:41:50 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0992.v1

Effect of Mechanical Damage on Tritium Permeability Resistance of FeAl/Al₂O₃ Coating on 316L Stainless Steel

Yinghong Li, Lihong Nie, Fantao Meng, Haixiang Hu, Sifan Zong, Zhihao Hong, Long Wang, Changzheng Li, Qisen Ren, Jing Hu

Subject: Chemistry And Materials Science, Materials Science And Technology Keywords: FeAl/Al₂O₃ tritium resistant coating; mechanical damage; tritium permeation

Online: 12 September 2024 (11:34:45 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0959.v1

Chondroitin Sulphate and Proteinoids in Neuron Models

Panagiotis Mougkogiannis, Andrew Adamatzky

Subject: Chemistry And Materials Science, Physical Chemistry Keywords: Chondroitin sulphate; Proteinoids; Izhikevich neuron model; Computational neuroscience; Neuronal dynamics; Extracellular matrix; Synaptic plasticity; The Prisoner’ s Dilemma

Online: 12 September 2024 (05:35:32 CEST)

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Preprint ESSAY | doi:10.20944/preprints202409.0868.v1

Constructing Bimetallic Cobalt-Iron MOF-derived Carbon for Efficiently Activating Peroxydisulfate to Improve Degradation of Organic Pollutants

Qin Liu, Hua li Zhang, Kang hui Zhang, Jin xiu Li, Jia heng Cui

Subject: Chemistry And Materials Science, Other Keywords: NH₂-MIL-101(Fe); Hydrothermal synthesis; Peroxydisulfate; TC (tetracycline hydrochloride); Carbon materials

Online: 11 September 2024 (16:58:17 CEST)

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Peroxydisulfate activation has garnered a lot of interest due to its benefits of broad adaptability, strong anti-interference ability, and powerful oxidation capacity. Due to their low cost and potent action, carbon materials are new green catalysts that have garnered interest. In order to effectively degrade organic contaminants in water by activating peroxydisulfate, carbon compounds are currently commonly used. Better metal ions for activating peroxydisulfate include Fe2+ and Co2+, and these metal ions can be encapsulated in carbon compounds made by calcinating metal organic framework（MOFs ）as precursors. The synthesis of carbon compounds from MOF precursors as well as their effectiveness and mechanism in reducing organic pollutants in peroxydisulfate systems. The following are the specific research contents: NH2-MIL-101 (Fe/Co) bimetallic MOFs material was synthesized by hydrothermally altering the Fe3+ to Co2+ ratio, followed by the carbonization of Fe/Co-CNs. XRD, SEM, TEM, FT-IR, and XPS were used to analyze the materials' morphology, structure, and chemical make-up. The results demonstrate that Fe/Co-CNs-2 (Co2+ doping concentration approaches 20%) has a stable three-dimensional carbon structure and effectively incorporated Co ions into the carbon material. The simultaneous encapsulation of both Fe and Co metals by the three-dimensional carbon skeleton ensures material stability and reaction activity. Tetracycline hydrochloride was reported to degrade more quickly in Fe/Co-CNs-2 than in other Co2+ doping concentrations within 30 minutes of peroxymonosulfate（PMS） activation. The degradation rate of Fe/Co-CNs-2 for 20 mg/L TC was determined to be 93.34% within 30 minutes under the following conditions: Fe/Co-CNs-2 concentration of 0.1 g/L, PMS concentration of 0.2 g/L, and pH of 7.33. The catalyst also demonstrates good stability. Last but not least, the Fe/Co-CNs-2 free radical quenching experiment revealed that singlet oxygen (1O2) is the primary active species in the reaction system, and a potential mechanism was examined by combining degradation and XPS analysis.

Preprint ARTICLE | doi:10.20944/preprints202308.1057.v2

Peptide-Functionalized Polymeric Nanoparticles for Delivery of Curcumin to Cancer Cells

Neda Rostami, Aida Ghebleh, Hadi Noei, Zahra Salimian, Alaa Moeinzadeh, Abuzar Nikzad, Mohammad Mahmoudi Gomari, Vladimir N. Uversky, Parastoo Tarighi

Subject: Chemistry And Materials Science, Polymers And Plastics Keywords: Targeted delivery; A6 peptide; PCL-PEG; Nanoparticle; Nanopolymer; Curcumin; Cancer

Online: 11 September 2024 (15:30:07 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0893.v1

Theoretical Study of The Halogen Concentration Effect on The 1,3-Butadiene Polymerization Catalyzed by the Neodymium-Based Ziegler–Natta System

Alexey N. Masliy, Ildar G. Akhmetov, Andrey M. Kuznetsov, Ilsiya M. Davletbaeva

Subject: Chemistry And Materials Science, Polymers And Plastics Keywords: DFT; ONIOM; 1,3-butadiene polymerization; stereospecificity; cis-1,4-polybutadiene; neodymium based Ziegler– Natta catalyst

Online: 11 September 2024 (11:26:04 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0821.v1

N-oxide Coordination to Mn(III) Chloride

Ananya Saju, Mathew R. Crawley, Samantha N. MacMillan, Pierre Le Magueres, Mark Del Campo, David C. Lacy

Subject: Chemistry And Materials Science, Inorganic And Nuclear Chemistry Keywords: Mn(III); N-oxide ligands; coordination chemistry; C– H chlorination

Online: 11 September 2024 (10:41:02 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0849.v1

A Brief Survey of ML Methods Predicting Molecular Solubility: Towards Lighter Models via Attention and Hyperparameter Optimization

Andrew Lew

Subject: Chemistry And Materials Science, Materials Science And Technology Keywords: cheminformatics; water solubility; transformer network; Bayesian optimization

Online: 11 September 2024 (10:35:31 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0846.v1

Gemcitabine Delivery System Based on Chitosan Capsules with Magnetite and Natural Zeolite (Clinoptilolite). Synthesis, Characterization and Evaluation of Its Anticancer and Bactericidal Properties

Yuly Andrea Guarín-González, Gerardo Cabello-Guzman, José Reyes-Gasga, Yanko Moreno-Navarro, Luis Vergara-González, Antonia Martin-Martín, Rodrigo López-Muñoz, Galo Cárdenas-Triviño, Luis Felipe Barraza

Subject: Chemistry And Materials Science, Applied Chemistry Keywords: chitosan; magnetic nanoparticles; zeolite clinoptilolite; gemcitabine; drug carriers; ionic gelation

Online: 11 September 2024 (10:22:01 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0880.v1

A Comparative Study of Sol-Gel Deposited Zinc Oxide, Tin Oxide, and Titanium Dioxide Thin Films and Their Photocatalytic Performance on MB Decoloration

Heberto Gómez, Angélica Gómez-Monsivais, Krishna Karthik Tangirala, Hector Daniel Molina, Maria De la Luz Olvera, Arturo Maldonado, Jose Luiz González

Subject: Chemistry And Materials Science, Surfaces, Coatings And Films Keywords: photocatalysis; methylene blue; thin film; dip coating

Online: 11 September 2024 (09:21:56 CEST)

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Preprint COMMUNICATION | doi:10.20944/preprints202409.0838.v1

Synthesis and Characterization of N-Nitrososydnonimine as NO. Donor

Nathalie Saffon-Merceron, Christian Lherbet, Pascal Hoffmann

Subject: Chemistry And Materials Science, Organic Chemistry Keywords: Sydnone; Sydnonimine; Imine; Nitric oxide; SIN-1

Online: 10 September 2024 (15:43:25 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0776.v1

Neutral Red Film Augments Direct and Mediated Extracellular Electron Transfer Performed by Clostridium pasteurianum DSM 525

Ana Clara Bonizol Zani, João Carlos de Souza, Adalgisa Rodrigues de Andrade, Valeria Reginatto

Subject: Chemistry And Materials Science, Electrochemistry Keywords: Clostridium pasteurianum DSM 525; glycerol; mediated electron transfer (MET); neutral red (NR); methyl viologen (MV)

Online: 10 September 2024 (15:18:57 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0831.v1

Peroxymonosulfate Activation by Fe@N Co-doped BC for the Degradation of Sulfamethoxazole: The Key Role of Pyrrolic N

Tong Liu, Chen-Xuan Li, Xing Chen, Yihan Chen, Kangping Cui, Dejin Wang, Qiang Wei

Subject: Chemistry And Materials Science, Materials Science And Technology Keywords: Biochar; Sulfate radicals; Peroxymonosulfate; Pyrrolic N

Online: 10 September 2024 (14:58:23 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0820.v1

Making Mobile Nanotechnology Accessible: Is the Explicit Preparation of Janus Nanoparticle Necessary to Achieve Mobility?

Vagisha Nidhi, Arthur Allaire, Zakariya Ait Athmane, Patrick Guenoun, Fabienne Testard, Jean-Philippe Renault, Florent Malloggi

Subject: Chemistry And Materials Science, Nanotechnology Keywords: self-propulsion; mobility; chemotaxism; Janus particles; Gold-Silica particles; DLS; PTV

Online: 10 September 2024 (14:00:06 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0815.v1

Computational Model of the Effect of pH on Calcium Carbonate Precipitation by Sporosarcina pasteurii

Shiva Khoshtinat, Claudia Marano, Mahdi Kioumarsi

Subject: Chemistry And Materials Science, Biomaterials Keywords: Computational Model; Sporosarcina pasteurii; CaCO₃ Precipitation; effect of pH

Online: 10 September 2024 (13:58:39 CEST)

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Utilising the metabolic processes (urease activity) of certain microorganisms that result in the precipitation of calcium carbonate (CaCO₃) as a sustainable method for manufacturing self-healing cementitious materials for use in the construction, soil stabilization, and wind-induced erosion industries has garnered considerable attention over the last twenty years. Despite extensive efforts for experimental characterization of the effect of numerous influential factors such as the bacteria type, nutrition type and quantity, and environmental conditions governing this phenomenon, computational modeling of this biochemical process has not advanced significantly due to its complexity and intertwined involved parameters. Among these parameters, pH is of special significance since the initial pH level has an immediate effect on the bacteria's urease activity, which then influences the rate at which calcium carbonate precipitates. Furthermore, during the CaCO₃ precipitation process, pH changes due to the generation of byproducts such as ammonium, which alters the velocity of the bacteria's urease activity continuously.The present study proposes a computational model for calcium carbonate precipitation by urease activity of Sporosarcina pasteurii using COMSOL Multiphysics^®. The theoretical background on governing parameters and chemical reactions involved in the process are discussed. The model takes into account the impact of calcium and urea concentrations, as well as the initial pH level and pH variations caused by the production of by-products during the process. The capability of the model to foresee CaCO3 concentration and ultimate pH level is evaluated by comparing the computational outcomes with empirical data obtained from established literature sources. The influence of the initial pH of the environment on the pH variation of the system during the precipitation process was simulated and compared to actual data available in the literature, suggesting that the model can accurately predict the kinetic. Finally, a parametric analysis is performed to identify the ideal initial environmental pH for calcium carbonate precipitation by the S. pasteurii bacterium.

Preprint ARTICLE | doi:10.20944/preprints202409.0791.v1

Holographic Simulation of the Electric Field of a 6KA Rare Earth Molten Salt Electrolytic Cell

Yongfu Wu, Shouying Ma, Rixin Wang, Zhongxing Liu, Yubao Liu, Zhi Li

Subject: Chemistry And Materials Science, Electrochemistry Keywords: Rare earth; Holographic electric field model; Cell voltage; Structural voltage drop; Numerical simulation

Online: 10 September 2024 (09:37:20 CEST)

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Preprint REVIEW | doi:10.20944/preprints202409.0775.v1

Hydrogen Production from Biomass on an Industrial Scale

Richa Tungal, Rehmat Kaur

Subject: Chemistry And Materials Science, Chemical Engineering Keywords: hydrogen; biomass; wood biomass; sustainibility; biomass industrialization

Online: 10 September 2024 (09:35:27 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0695.v1

A Combined Experimental and Computational Study on the Effect of the Reactor Configuration and Operational Procedures on Formation, Growth and Dissociation of Carbon Dioxide Hydrate

Chrysoula Tallarou, Anastasios Labropoulos, Stavros Stavropoulos, Nikos Pasadakis, Emmanuel Stamatakis, Spyros Bellas, Raoof Gholami, Ioannis Yentekakis

Subject: Chemistry And Materials Science, Physical Chemistry Keywords: Sustainable decarbonization; CO₂ hydrates; CO₂-H₂O phase diagrams; gas-liquid-hydrate phase equilibrium; induction period; hydrate dissociation; CO₂ capture

Online: 10 September 2024 (03:35:49 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0686.v1

Chemically Degradable Vitrimeric Materials Based on Divanillin Imine Epoxy Monomer and Aliphatic Diamines. Effect of Transamination in the Stress Relaxation Process

Tommaso Telatin, Silvia De la Flor, Xavier Montané, Àngels Serra

Subject: Chemistry And Materials Science, Polymers And Plastics Keywords: vitrimers; polyimines; epoxy; creep resistance; chemical degradation; composites; carbon fiber composites

Online: 9 September 2024 (12:56:34 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0666.v1

CFD Based Process Simulation Models for the Turbulent Mixing of the Electrode Slurries Using Rotor-Stator Mixers

Md Shaheen Alam, Mohammed Shariq, Dominik Nemec

Subject: Chemistry And Materials Science, Surfaces, Coatings And Films Keywords: dispersion; battery slurry; turbulent mixing; process simulation; CFD; rheology

Online: 9 September 2024 (11:53:00 CEST)

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Preprint BRIEF REPORT | doi:10.20944/preprints202409.0640.v1

Finding Transmittance Spectrum Envelopes for Optical Characterization of Thin Solid Films

Manuel Ballester, Emilio Marquez, Florian Willomitzer, Aggelos Katsaggelos

Subject: Chemistry And Materials Science, Surfaces, Coatings And Films Keywords: Thin solid films; Spectroscopy; Swanepoel method; Envelopes; Optical Properties; Optimization

Online: 9 September 2024 (11:34:42 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0607.v1

Strongly ROS-Correlated, Time-Dependent and Selective Antiproliferative Effects of Synthesized Nano Vesicles on BRAF Mutant Melanoma Cells and Their Hyaluronic Acid-Based Hydrogel Formulation

Silvana Alfei, Guendalina Zuccari, Constantinos M. Athanassopoulos, Cinzia Domenicotti, Barbara Marengo

Subject: Chemistry And Materials Science, Organic Chemistry Keywords: cutaneous metastatic melanoma (CMM); triphenyl phosphonium (TPP) groups; mitochondria-targeting molecules; nanosized bola-amphiphiles vesicles; cytotoxicity studies; low hemolytic effects; hydrogel formulation; biodegradability; high porosity; high swelling

Online: 9 September 2024 (09:03:54 CEST)

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Cutaneous metastatic melanoma (CMM) is the most aggressive form of skin cancer with a poor prognosis. Drugs-induced secondary tumorigenesis and the emergency of drug resistance worsen the already worrying scenario, thus rendering urgent the development of new treatments, not dealing with mutable cellular processes. Triphenyl phosphonium salts (TPPSs), in addiction to act as cytoplasmic membrane disruptors, are reported to be mitochondria-targeting compounds, exerting anticancer effects mainly by damaging their membranes and causing depolarization, impairing mitochondria functions and their DNA, triggering oxidative stress (OS), and priming primarily apoptotic cell death. TPP-based bola-amphiphiles are capable to self-form nanoparticles (NPs) with enhanced biological properties, as commonly observed for nanomaterials. Already employed in several other biomedical applications, only recently the per se selective potent antibacterial effects of a TPP bola-amphiphile has been demonstrated on 50 multidrug resistant (MDR) clinical superbugs, as well as its exceptional and selective anticancer properties, on sensitive and MDR neuroblastoma cells. Here, aiming at finding new molecules possibly developable as new treatments for counteracting CMM, the effects of this TPP-based bola-amphiphile (BPPB) have been investigated against two BRAF mutants CMM cell lines (MeOV and MeTRAV) with excellent results (even IC50 = 49 nM on MeOV after 72 h treatment). Upon these findings and considered the low cytotoxicity of BPPB against different mammalian not tumoral cell lines and red blood cells (RBCs, selectivity indexes up to 299 on MeOV after 72 h treatment), the possible future development of BPPB as topical treatment for CMM lesions was presumed. In this sight, a biodegradable hyaluronic acid (HA)-based hydrogel formulation (HA-BPPB-HG) was prepared without using any potentially toxic crosslinking agents, but simply dispersing suitable amounts of the two ingredients in water and sonicating under gentle heating. HA-BPPB-HA was completely characterized with promising outcomes, such as high swelling capability, high porosity and viscous elastic rheological behavior.

Preprint ARTICLE | doi:10.20944/preprints202409.0597.v1

Studies on Square Wave and Cyclic Voltammetric Behavior of 1,2- and 1,4-Dihydroxybenzenes and Their Derivatives in Acetic Acid, Ethyl Acetate and in Their Mixtures

László Kiss

Subject: Chemistry And Materials Science, Electrochemistry Keywords: dihydroxybenzenes; acetic acid; ethyl acetate; mcroelectrode; voltammetry

Online: 9 September 2024 (08:28:25 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0610.v1

Evaluation of APTES Functionalized Zinc Oxide Nanoparticles for Adsorption of CH₄ and CO₂

Luis A. Montejo-Mesa, Alicia Díaz-García, Celio L. Cavalcante Jr., Enrique Vilarrasa-García, Enrique Rodríguez-Castellón, Daniel Ballesteros-Plata, Giselle I. Autié-Castro

Subject: Chemistry And Materials Science, Materials Science And Technology Keywords: ZnONPs@APTES nanoparticles; functionalization; adsorption; separation; CH₄; CO₂

Online: 9 September 2024 (08:28:13 CEST)

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Preprint SHORT NOTE | doi:10.20944/preprints202409.0592.v1

(R)-2-Amino-1-Hydroxyethylphosphonic Acid

Majid Motevalli, Isaac Abrahams, Peter Blakskjær, Caroline E. Wyatt, Peter B. Wyatt

Subject: Chemistry And Materials Science, Organic Chemistry Keywords: X-ray structure; amino phosphonic acid; hydrogen bonding

Online: 9 September 2024 (08:28:10 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0566.v1

Facile Fabrication of Co–Doped Porous Carbon from Coal Hydrogasification Semi-Coke for Efficient Microwave Absorption

Yan-Fang Li, Li-Fang Wang, Shu-juan Gao, Tan-Lai Yu, Qi-Feng Li, Junwei Wang

Subject: Chemistry And Materials Science, Materials Science And Technology Keywords: Co/C composites; microwave absorption; dielectric loss; magnetic loss

Online: 9 September 2024 (07:07:45 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0398.v1

Effect of Sintering Temperature on the Physical and Mechanical Characteristics of Fabricated ZrO2-Cr-Ni-Ce-Y Composite

Brajesh Chandra Saini, Naman Jain, Dinesh Kumar Rao, Varun Singhal, Akarsh Verma, Dayanand M. Goudar, K Raju, Deesy G. Pinto

Subject: Chemistry And Materials Science, Materials Science And Technology Keywords: powder metallurgy; microhardness; flexural strength; zirconium dioxide; sintering

Online: 9 September 2024 (04:28:01 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0553.v1

Ternary ZnS/ZnO/Graphitic Carbon Nitride Heterojunction for Efficient and Stable Hydrogen Photocatalytic Production

Asset Bolatov, Alida Manjovelo, Bilel Chouchene, Lavinia Balan, Thomas Gries, Ghouti Medjahdi, Bolat Uralbekov, Raphaël Schneider

Subject: Chemistry And Materials Science, Chemical Engineering Keywords: ZnS/ZnO/gCN heterojunction; Photocatalytic hydrogen evolution; Double Z-scheme mechanism

Online: 7 September 2024 (15:51:27 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0563.v1

Innovative Surface Plasmon Resonance Aptasensor for Detecting Cocaine in Human Urine

Gül KEKLIK ŞAH, Aybüke A. ISBIR TURAN

Subject: Chemistry And Materials Science, Biomaterials Keywords: synthetic urine; aptamer; gold nanoparticle; surface characterization

Online: 6 September 2024 (14:42:00 CEST)

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Preprint REVIEW | doi:10.20944/preprints202409.0530.v1

Precious Cargo: The Role of Polymeric Nanoparticles in the Delivery of Covalent Drugs

Daniel Weissberger, Martina Stenzel, Luke Hunter

Subject: Chemistry And Materials Science, Medicinal Chemistry Keywords: targeted covalent inhibitors; reactive drugs; electrophilic warheads; drug delivery; nanomedicine

Online: 6 September 2024 (13:21:23 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0515.v1

Dual Fractions Proteomic Analysis of Silica Nanoparticles Interactions with Protein Extracts

Marion Schvartz, Florent Saudrais, Yves Boulard, Jean-Philippe Renault, Céline Henry, Stéphane Chédin, Serge Pin, Jean-Christophe Aude

Subject: Chemistry And Materials Science, Surfaces, Coatings And Films Keywords: Silica Nanoparticles; Protein Extracts; Proteomics; Mass Spectrometry; Protein-Nanoparticle Interactions; Corona

Online: 6 September 2024 (12:13:07 CEST)

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Preprint COMMUNICATION | doi:10.20944/preprints202409.0483.v1

Synthesis of methyl 2-((4R)-3-acryloyl-4-phenyloxazolidin-2-yl)acetates

Hugo Pilotzi Xahuentitla, Jesús Guadalupe Ortega Montes, Dino Hernán Gnecco Medina, Joel Luis Terán Vazquez, Emanuel Hernández Núñez, Maria Laura Orea Flores

Subject: Chemistry And Materials Science, Organic Chemistry Keywords: asymmetric synthesis; N-acryloyl-4-phenyloxazolidine; (R)-(-)-2-phenylglycinol; methyl propiolate

Online: 6 September 2024 (08:12:07 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0410.v1

Enhancing Force Absorption, Stress-Strain and Thermal Properties of Weft-Knitted Inlay Spacer Fabric Structures for Apparel Applications

Mei-ying Kwan, Yi-fan Tu, Kit-lun Yick, Joanne Yip, Nga-wun Li, Annie Yu, Ka-wai Lo

Subject: Chemistry And Materials Science, Polymers And Plastics Keywords: Cushioning material; Compression evaluation; Inlay knitting; Stretchability

Online: 6 September 2024 (03:49:28 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0437.v1

Application of Molecular Modeling and Machine Learning Models to Predict Novel FmlH-Binding Glycomimetics with Improved Pharmacokinetic Properties for the Prevention of Urinary Tract Infections

Priyanka Samanta, Robert J. Doerksen

Subject: Chemistry And Materials Science, Medicinal Chemistry Keywords: Molecular docking; Molecular dynamics; Toxicity; ADMET; Matched molecular pairs

Online: 5 September 2024 (12:36:13 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0459.v1

Mono- and Binuclear Complexes in a Centrifuge-Less Cloud Point Extraction System for the Spectrophotometric Determination of Zinc(II)

Kiril B. Gavazov, Petya V. Racheva, Antoaneta D. Saravanska, Fatma Genc, Vassil B. Delchev

Subject: Chemistry And Materials Science, Analytical Chemistry Keywords: Zinc(II); Centrifuge-less cloud point extraction; 6-Hexyl-4-(2-thiazolylazo)resorcinol; Spectrophotometric determination; TD DFT; Binuclear complex.

Online: 5 September 2024 (12:09:22 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0427.v1

Role of Morphology on Zinc Oxide Nanostructures for Efficient Photoelectrochemical Activity and Hydrogen Production

Ahmad Fallatah, Mohammed Kuku, Laila Alqahtani, Almqdad Bubshait, Noha S. Almutairi, Sonal Padalkar, Abdullah M. Alotaibi

Subject: Chemistry And Materials Science, Nanotechnology Keywords: Zinc oxide; Electrodeposition; Morphology; Water splitting; Nanostructure; Photocatalysis

Online: 5 September 2024 (08:13:05 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0256.v1

Correlative Multi-scale Characterization of Nanoparticles Using Transmission Electron Microscopy

Stefan Neumann, David Rafaja

Subject: Chemistry And Materials Science, Materials Science And Technology Keywords: Transmission electron microscopy; crystal structure defects; semi-automatic image segmentation; kernel density estimator; gold nanoparticles; gold nanorods; multi-core iron oxide nanoparticles

Online: 5 September 2024 (06:11:10 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0302.v1

Long-term Storage Stability of Neutral Electrolyzed Water by Two-stage Electrolysis: Optimal Storage Conditions for Intraoral Use

Yuki Nagamatsu, Hiroshi Ikeda, Hiroshi Nagamatsu

Subject: Chemistry And Materials Science, Biomaterials Keywords: neutral electrolyzed water; storage stability; free available chlorine concentration; hypochlorous acid; bactericidal activity

Online: 4 September 2024 (08:36:17 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0321.v1

Systematic Cause Analysis of Explosion Accident during the Packaging Process of Dangerous Goods

Juwon Park, Keunwon Lee, Mimi Min, Chuntak Phark, SeungHo Jung

Subject: Chemistry And Materials Science, Chemical Engineering Keywords: process safety management; System Theoretic Accident Model and Process (STAMP); Barrier based Systemic Cause Analysis Technique (BSCAT)

Online: 4 September 2024 (08:32:46 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0312.v1

A Reaction-Based Approach to Colorimetric Detection of Organic Analytes in Water Using a Chlorine-Containing Carbocyanine Dye and Hypochlorite

Anna V. Shik, Evgenii V. Skorobogatov, Ramil M. Akhmetov, Irina A. Doroshenko, Tatyana A. Podrugina, Gleb K. Sugakov, Mikhail K. Beklemishev

Subject: Chemistry And Materials Science, Analytical Chemistry Keywords: color test; carbocyanines; hypochlorite; organic analytes; nitrogen compounds; machine learning; natural water; wastewater

Online: 4 September 2024 (08:32:36 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0328.v1

Multifunctional Coatings Based on Sn, Ni and TiO₂ Aggregates with Enhanced Anticorrosion and Antibacterial Properties

Hanna Pianka, V. P. Boufal, Olga Alisiyonak, Maxim Vlasov, Alexander Chernik, Yanpeng Xue, Abdelhafed Taleb

Subject: Chemistry And Materials Science, Surfaces, Coatings And Films Keywords: multifunctional coating; anticorrosion; antibacterial; Sn and Ni thin films; TiO₂ nanoparticles ;

Online: 4 September 2024 (07:54:49 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0316.v1

Reaction Thermodynamic and Kinetics for Esterification of Propylene Glycol Monomethyl Ether and Acetic Acid over Ion-exchange Resin

Xinyu Liu, Shu Wang, Mingxia Wang, Lifang Chen, Zhiwen Qi

Subject: Chemistry And Materials Science, Applied Chemistry Keywords: propylene glycol methyl ether acetate (PMA); ion exchange resin; esterification; thermodynamic; kinetic models

Online: 4 September 2024 (05:00:08 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0234.v1

A Study on Metallurge Process of Fe-P Applicable to Motor Core for XEV

Seongsu Kang, Seonbong Lee

Subject: Chemistry And Materials Science, Metals, Alloys And Metallurgy Keywords: motor; soft magnetic composites (SMCs); powder metallurgy (PM); microstructure

Online: 4 September 2024 (02:54:02 CEST)

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This study explores the application of AncorLam HR (Höganäs, Sweden), a soft magnetic composite (SMC) material, in the stator core of an axial flux permanent magnet (AFPM) drive motor. Building on previous research that provided mechanical and thermal properties of AncorLam HR, the study focuses on analyzing how the manufacturing process affects the motor core's shape. A bulk prototype was created based on Case 3, which demonstrated the least deviation in density and internal stress. The prototypes were produced under the specified conditions of SPM 7 and 90°C, resulting in an average density and simulation density error of 0.54%, which confirms the effectiveness of the process. To further verify the reliability, the microstructure of the AncorLam HR powder and the resulting bulk prototype was analyzed. Scanning electron microscopy (SEM) measurements at 5mm, 20mm, and 25mm on Sample 2, which had the highest density, confirmed the consistency between simulation and prototype density trends. Additionally, electron backscatter diffraction (EBSD) analysis revealed a random orientation of the powder, while X-ray diffraction (XRD) showed consistent iron (Fe) peaks at 44.9°, 65.0°, and 82.3° in both the powder and bulk prototypes, indicating no significant change in the internal phase structure. Further analysis using energy-dispersive spectroscopy (EDS) and transmission electron microscopy (TEM) identified that the phosphorus (P) content was eliminated during the molding process, which led to the destruction of the insulating layer, a critical performance factor for SMC materials. In AFPM motor simulations, the average torque was measured at 34.5 mN·m, with core loss increasing as frequency increased. The observation of iron loss spikes during motor startup indicates the need for further research to optimize material selection. This study confirms the viability of using AncorLam HR in electric vehicle motor cores and provides essential data for improving the performance of AFPM motors. Future research should prioritize optimizing SMC materials to enhance the performance and efficiency of AFPM motor applications.

Preprint REVIEW | doi:10.20944/preprints202409.0225.v1

Lewis Acid-Base Site Assisted In-Situ Transesterification Catalysis to Produce Biodiesel

Zhuangzhuang Zhang, Pan Meng, Hangyu Luo, Zhengfei Pei, Xiaofang Liu

Subject: Chemistry And Materials Science, Chemical Engineering Keywords: Biodiesel; microalgae; transesterification; catalyst; Lewis acid-base catalyst

Online: 4 September 2024 (02:50:22 CEST)

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Preprint REVIEW | doi:10.20944/preprints202409.0246.v1

Thermochromic Polymers in Food Packaging: A Comprehensive Systematic Review and Patent Landscape Analysis

Colette Breheny, Kieran Donlon, Alan Harrington, Declan Mary Colbert, Gilberto Silva Nunes Bezerra, Luke Geever

Subject: Chemistry And Materials Science, Polymers And Plastics Keywords: stimuli-responsive materials; thermochromic polymers; food packaging; systematic review; patent landscape analysis

Online: 3 September 2024 (14:24:16 CEST)

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Preprint ARTICLE | doi:10.20944/preprints202409.0267.v1

Eco-Design of Thermopressing through Induction of 100% Coriander-Based Fiberboards: Optimization of Molding Conditions

Priscila Anabel Guaygua-Amaguaña, Guadalupe Vaca-Medina, Claire Vialle, Caroline Sablayrolles, Philippe Evon

Subject: Chemistry And Materials Science, Biomaterials Keywords: plant-based fibers; thermopressing; induction; fiberboards; mechanical properties; climate change

Online: 3 September 2024 (14:13:01 CEST)

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Chemistry and Materials Science