Chemistry and Materials Science

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Article
Organic Chemistry
Chemistry and Materials Science

Pedro Freitas,

Dina Maciel,

Jolanta Jaśkowska,

Kamila Zeńczak-Tomera,

Yanbiao Zhou,

Guoyin Yin,

Ruilong Sheng

Abstract: Developing new biomolecule-drug conjugates as prodrugs is a promising area for natural products and pharmaceutical chemistry. Herein, a cholesterol-doxorubicin (Chol-DOX) conjugate was synthesized using cholesteryl-4-nitrophenolate as a facile, stable, and controllable activated ester. This approach offers an alternative to the conventional HCl-emitting cholesteryl chloroformate method, semi-empirical theoretical calculations showed that cholesteryl-4-nitrophenolate exhibits moderate reactivity, higher thermodynamic stability, and a lower HOMO-LUMO energy gap compared to cholesteryl chloroformate, suggesting cholesteryl-4-nitrophenolate could be used as a more controllable acylating agent. The structure of synthesized Chol-DOX conjugate was characterized using NMR and MS techniques. Biological properties of the Chol-DOX were analyzed with the comparison of theoretical and experimental data. This work provided a facile and controllable method to synthesize natural lipid-DOX prodrug and offered an in-depth data analysis of the related biological properties.
Article
Applied Chemistry
Chemistry and Materials Science

Maja Sviben,

Ilijana Odak,

Danijela Barić,

Milena Mlakić,

Ottó Horváth,

Lajos Fodor,

Sunčica Roca,

Ivana Šagud,

Irena Škorić

Abstract: Considering all our previous experience in the design of new cholinesterase inhibitors, especially resveratrol analogs, in this research, the basic stilbene skeleton was used as a structural unit for new carbamates. Inhibitory activity was tested toward the enzymes acetylcholinesterase (AChE) and butyrylcholinesterase (BChE) by newly prepared carbamates 1–13. In the tested group of compounds, the leading inhibitors were 1 and 7, which achieved excellent selective inhibitory activity for BChE with IC50 values of 0.12 ± 0.09 μM and 0.38 ± 0.01 μM, respectively. Both were much more active than standard inhibitor galantamine against BChE. Molecular docking of the most promising inhibitor candidates, compounds 1 and 7, revealed that stabilizing interactions between the active site residues of BChE and the ligands involve π-stacking, alkyl-π interactions, and, when the carbamate orientation allows, H-bond formation. MD analysis confirmed the stability of the obtained complexes. Some bioactive resveratrol-based carbamates displayed complex-forming capabilities with Fe3+ ions as metal centers. Spectrophotometric investigation indicated that they coordinate one or two metal ions, which is in accordance with their chemical structure, offering two binding sites: an amine and a carboxylic group in the carbamate moiety. Based on all obtained in silico, experimental, and computational results on biological activity in the present work, new carbamates 1 and 7 represent potential selective BChE inhibitors as new therapeutics for neurological disorders.
Article
Nanotechnology
Chemistry and Materials Science

Jhonathan Castillo-Saenz,

Jorge Salomón-Carlos,

Ernesto Beltran-Partida,

Benjamin Valdez-Salas

Abstract: Cerium oxide nanoparticles (CeO2-NPs) have suggested promising advantages in semiconductors and biomedical applications due to the provided optical, electrical, antioxidant, and antibacterial activity. However, the widely reported synthetic strategies for CeO2-NPs demand toxic precursors and intermediary pollutants that represent a severe limitation in CeO2-NPs applications. Therefore, it is required to develop greener strategies that implicate ecological precursors to reduce the negative impact on the scalability of CeO2-NPs. In this regard, we applied Lycium cooperi (L. cooperi) aqueous extracts as an unexplored potential green reducing agent for the eco-friendly synthesis of CeO2-NPs. The L. cooperi extract showed the presence of alkaloids, flavonoids, cardiac glycosides, and carbohydrate-derived families that were assessed for spherical monodispersed CeO2-NPs under a rapid chemical reduction. Moreover, the elemental composition displayed Ce and O, indicating a high pure CeO2-NPs characterized by an interplanar cubic crystalline structure. Furthermore, we detected the presence of stabilizing functional groups from L. cooperi, which after a controlled annealing process, resulted in a band gap energy of 3.9 eV, which was optimal for CeO2-NPs. Thus, the results proposed L. cooperi as an environmentally friendly synthesis method that can open a new route for CeO2-NPs in biomedical and industrial applications.
Article
Analytical Chemistry
Chemistry and Materials Science

Marc Pretze,

Jan Wendrich,

Holger Hartmann,

Robert Freudenberg,

Ralph Alexander Bundschuh,

Jörg Kotzerke,

Enrico Michler

Abstract: (1) Background: Targeted alpha therapy is a new emerging field in nuclear medicine driven by the two advantages of overcoming resistance of cancer-suffering patients against beta therapies and practically application of lower activities of 212Pb- and 225Ac-labelled peptides to reach the same doses compared to beta therapy due to the high cytotoxic nature of alpha particles. Quality control of the 212Pb/225Ac-radiopharmaceuticals remains a challenge due to the low activity levels used for therapy (100 kBq/kg) and the formation of several free daughter nuclides immediately after formulation of patient doses; (2) Methods: The routine alpha detection of thin-layer chromatograms (TLC) of 212Pb- and 225Ac-labelled peptides using a MiniScanPRO+ scanner combined with an alpha detector head was compared with detection using an AR-2000 scanner equipped with an open proportional counter tube. Measurement time, resolution and validity were compared for both scanners; (3) Results: For 225Ac quality control the values of RCP are within the acceptance criteria 2 h after TLC development, regardless of when the TLC probe was taken. If the TLC probe was taken 24 h after radiosynthesis, the true value of RCP within the acceptance criteria was not measured until 5 h after TLC development. For 212Pb-labelled peptides, the probe sampling did not have a high impact on the value of RCP for the MiniScanPRO+ and AR-2000. A difference was observed when measuring the TLC with the AR-2000 in different modes; (4) Conclusions: The MiniScanPRO+ is fast, does not require additional equipment and can also measure the gamma spectrum, which may be important for some radiopharmaceutical production sites and regulatory authorities. The AR-2000 has a better signal-to-noise ratio and this eliminates the need for additional waiting time after TLC development.
Review
Medicinal Chemistry
Chemistry and Materials Science

Alcione Silva de Carvalho,

Iva Souza,

Patrícia Garcia Ferreira,

Acácio Silva de Souza,

Rafael Portugal Rizzo Franco de Oliveira,

Debora Omena Futuro,

Vitor Francisco Ferreira

Abstract: This review explores both the positive and negative impacts of chemistry on society, focusing on the intersection between pharmaceutical, natural, and synthetic chemicals. On the one hand, drugs developed through Medicinal Chemistry have saved lives, improved people’s quality of life, and increased longevity. However, they also pose risks, including fatalities and environmental damage. Pharmaceutical Chemistry has revolutionized medical practice by enabling the treatment and cure of fatal or debilitating diseases, significantly contributing to the rise in global life expectancy through the research and development of new bioactive substances. This article also highlights the harmful effects of toxic synthetic substances, which negatively impact human health and the environment, affecting plants, animals, air, water, soil, and food.
Article
Materials Science and Technology
Chemistry and Materials Science

Iwona Rogalska,

Marta Pasternak,

Bogumił Cieniek,

Anna Juś,

Jakub Grendysa,

Ireneusz Stefaniuk

Abstract: In the present work, the growth specificity of Cd1−xMnxTe layers by the molecular beam epitaxy and results of experimental studies of several Cd1−xMnxTe layers grown on GaAs(100) hybrid substrates with CdTe buffers are presented. Our efforts were concentrated on creating structures with high crystallographic quality, specifically aiming to reduce the number of defects. Experimental results for the selected structures demonstrated that the Cd1−xMnxTe layers, with varying x, exhibit high crystallographic and surface morphology quality. Specifically, high-resolution X-ray diffraction measurements and their analysis revealed that the intensity distribution does not reflect the effects of mosaicity or dislocation density. The aim of the work was to characterize the Mn dopant depending on the x-value. The magnetic properties were studied as a function of manganese concentration by using electron paramagnetic resonance. By applying continuous wave electron paramagnetic resonance in the wide temperature range, we observed two groups of lines: from manganese and from so-called low field magnetic absorption.
Article
Nanotechnology
Chemistry and Materials Science

Nikolay R. Shilov,

Sayara E. Aga-Tagieva,

Viktor M. Rybalchenko,

Alexander Omelyanchik,

Kirill V. Sobolev,

Rinat R. Aysin,

Valeria V. Rodionova,

Kurban E. Magomedov

Abstract: This study presents the development and characterization of novel polyvinylidene fluoride (PVDF)-based polymer composites for environmental remediation applications. We synthesized composites incorporating three types of fillers: Ti3C2Tx MXenes, magnetic nanoparticles (CoFe2O4 and γ-Fe2O3/Fe3O4), and their heterostructured combinations. To enhance the homogeneity of the composites, the filler particles were additionally coated with polyethylene glycol (PEG). Photocatalytic and sonocatalytic degradation of methylene blue (MB) dye was evaluated under light and ultrasonic irradiation, respectively. Experimental results demonstrated that PVDF-based nanocomposite with MXene/γ-Fe2O3/Fe3O4 heterostructures as the filler achieves a significant MB photocatalytic degradation rate of 40.3% within 60 minutes. Simultaneously, MXene/CoFe2O4-containing nanocomposite exhibits outstanding performance in sonocatalysis, achieving a reduction in MB concentration exceeding 45% over a similar treatment duration. These findings highlight the potential of PVDF-MXene-MNPs composite materials in environmental remediation technologies, emphasizing the critical role of PVDF as a primary component and a suitable host matrix in catalytic processes.
Article
Physical Chemistry
Chemistry and Materials Science

Timur Fazliev,

Mikhail Lyulyukin,

Denis Kozlov,

Dmitry Selishchev

Abstract: Ethylene glycol (EG) is one of the contaminants in wastewater of airports because it is commonly used in the composition of aircraft deicing fluids during the cold season in northern regions. Ethylene glycol by itself has comparably low toxicity on mammals and aquatic life, but it can lead to substantial increase in chemical and biological oxygen demands. Contamination of water with EG facilitates the rapid growth of microbial biofilms that decreases the concentration of dissolved oxygen in water and negatively affects overall biodiversity. The development of simple method to decompose EG with a high efficiency and low operating costs is an important task. This study shows that ethylene glycol can be completely oxidized using UV-C activated hydrogen peroxide (H2O2/UV-C) with a high rate (up to 56 mg L–1 h–1) at optimum EG:H2O2 molar ratio of 1:10–1:15. Air purging the reaction solution at 1000 cm3 min–1 increases EG mineralization rate up to 2 times because simultaneous action of UV-activated H2O2 and O2 (H2O2 + O2/UV-C) leads to a synergistic effect, especially at low EG:H2O2 ratios. The kinetics and mechanism of EG degradation are discussed based on the kinetic plots of ethylene glycol and intermediate products.
Article
Nanotechnology
Chemistry and Materials Science

Engin Ciftyurek,

Zheshen Li,

Klaus Schierbaum

Abstract: We report the results of a zinc oxide (ZnO) low-power micro sensor for sub-ppm detection of NO2 and H2S in air at 200°C. NO2 emission is predominantly produced by combustion processes of fossil fuels while coal-fired power plants are the main emitter of H2S. Fossil fuels (oil, natural gas, and coal) combined contained 74% of USA energy production in 2023. It is foreseeable that the energy industry will utilize fossil-based fuels more in the ensuing decades despite the severe climate crises. Precise NO2 and H2S sensors will contribute to reduce the detrimental effect of the hazardous emission gases in addition to the optimization of the combustion processes for higher output. Fossil fuel industry and the Solid-oxide fuel cells (SOFCs) are exceptional examples of energy conversion-production technologies that will profit from advances in H2S and NO2 sensors. Porosity and surface activity of metal oxide semiconductors (MOS) based sensors are both vital for sensing at low temperatures. Oxygen vacancies (V_O^(••)) act as surface active sites for target gases, while porosity enables target gases to come in contact with a larger MOS area for sensing. We were able to create an open porosity network throughout the ZnO microstructure and simultaneously achieve an abundance of oxygen vacancies by using a heat treatment procedure. Surface chemistry and oxygen vacancy content in ZnO were examined using XPS and AES. SEM was used to understand the morphology of the unique characteristics of distinctive grain growth during heat treatment. Electrical resistivity measurements were completed. Valance band was examined by UPS. Engineered Porosity approach allowed the entire ZnO act as an open surface together with creation of abundant oxygen vacancies (V_O^(••)). NO2 detection is challenging since both oxygen (O2) and NO2 are oxidizing gases and they coexist in combustion environments. Engineered porosity ZnO micro sensor detected sub-ppm NO2 under O2 interference affect mimicking realistic sensor operation conditions. Engineered Porosity ZnO performed better than previous literature findings for H2S and NO2 detection. The exceptionally high in sensor response attributed to the high number of oxygen vacancies (V_O^(••)) and porosity extending through the thickness of the ZnO with high degree of tortuosity. These features enhance gas adsorption and diffusion via porosity leading to high sensor response.
Article
Metals, Alloys and Metallurgy
Chemistry and Materials Science

Gang Li,

Xiangran Meng,

Chunpin Geng,

Chongshuo Wang,

Haifang Ren,

Xiaoying Guo,

Sinan Li,

Ying Tao

Abstract: The AlCoCrFeNi high entropy alloys are a novel structural material with wide application prospects. In order to investigate the influence of Al and Cr elements on the structure and properties of the alloys, AlxCr1-xCoFeNi (x=0.1, 0.2; 0.3, 0.4, 0.5) HEAs were prepared by mechanical alloying and spark plasma sintering. The microstructure and properties of the AlxCr1-xCoFeNi were analysed using XRD, SEM, EDS, electrochemical workstations, hardness measurement, friction and wear measurement, and room temperature compression measurement. The hardness and friction measurement results demonstrate that when x = 0.1, the crystal structure of Al0.1Cr0.9CoFeNi is composed of dual FCC phases and a trace of σ phase. With the increment of Al content, part of the FCC phase is transformed into BCC phase. When x=0.2~0.5, the alloy is composed of dual FCC phases, BCC phase and a trace σ phase. The Al0.5Cr0.5CoFeNi alloy exhibits the most favourable corrosion resistance, with a self-corrosion voltage of 0.202 V in a 3.5 wt.% NaCl solution. The hardness of alloy increases with the increasing of Al content. The Al0.5Cr0.5CoFeNi alloy exhibits the highest hardness value of 412.6 HV. At the initial stage of friction measurement, the wear mechanism of AlxCr1-xCoFeNi was adhesive wear. As the test time increased, oxide layers began to form on the surface of the alloy, resulting in a gradual increase in the coefficient of friction. At this stage, the wear mechanism was characterised by both adhesive and abrasive wear. Once the oxide layers and the wear processes reached dynamic equilibrium, the friction coefficient stabilised, and the wear mechanism transitioned to abrasive wear. Once the oxide layer and the wear process have reached dynamic equilibrium, the friction coefficient tends to stabilise gradually, and the wear mechanism is changed to abrasive wear. Al0.1Cr0.9CoFeNi has the smallest coefficient of friction of 0.513. Al0.5Cr0.5CoFeNi had the longest compression plateau and the greatest compression strain (59.7%) in the compression tests at room temperature.

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