Results in Chemistry最新文献

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Removal of metaldehyde and acetamiprid by extracted cellulose from biomass incorporated with copper after acetylation 从乙酰化后掺入铜的生物质中提取纤维素去除金属醛和啶虫脒
IF 2.5
Results in Chemistry Pub Date : 2024-10-24 DOI: 10.1016/j.rechem.2024.101876
Gulab said , Fakhria A. Al-Joufi , Waqas Ahmad , Muhammad Tariq jan , Muhammad Zahoor , Azmat Ullah
{"title":"Removal of metaldehyde and acetamiprid by extracted cellulose from biomass incorporated with copper after acetylation","authors":"Gulab said ,&nbsp;Fakhria A. Al-Joufi ,&nbsp;Waqas Ahmad ,&nbsp;Muhammad Tariq jan ,&nbsp;Muhammad Zahoor ,&nbsp;Azmat Ullah","doi":"10.1016/j.rechem.2024.101876","DOIUrl":"10.1016/j.rechem.2024.101876","url":null,"abstract":"<div><div>The presence of pesticides in water have reached to an alarming level in some parts of the world and have caused deteriorating effects on human health. Reclamation of portable water from such contaminants have become mandatory. Scientists around the world are trying to devise new methods of water purification. The target can be achieved either by limiting the use of pesticides for agriculture purposes or by devising unique methods for their recoveries from contaminated water. In this context, herein cellulose has been extracted from <em>Populus nigra,</em> subjected to acetylation using acetic acid in the acidic medium (sulfuric acid). The modified acetylated cellulose was treated with Cu-based salt to enable the metallic combination. The prepared sorbent was characterized by UV, SEM, EDX, XRD, and FTIR techniques. Two insecticides; metaldehyde and acetamiprid in synthetic waste-water solution were subjected for adsorption on the modified sorbent in a series of experiments to evaluate the impact of contact time, sorbent dosage, pH, and temperature. Optimum conditions established in a series of experiments such as 80 and 60 min of contact time for acetamiprid and metaldehyde respectively, pH of 8 and 9 (slightly basic) correspondingly for the mentioned pesticides, and a 0.08 g adsorbent dosage were used in the estimation of kinetics and isothermal parameters. The kinetic data successfully followed the pseudo-second-order kinetic model whereas, the isothermal data was found to be best fitted by Langmuir isotherm model in the case of acetamiprid and by Freundlich in the case of metaldehyde. The regeneration study was performed for both the pesticides showing more than 70 % removal capabilities of fabricated adsorbent after three consecutive cycles. The prepared adsorbent could be a better alternative of commercial activated carbon however, further experiments are encouraged to investigate the full environmental application spectrum of the fabricated sorbent.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"12 ","pages":"Article 101876"},"PeriodicalIF":2.5,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142525782","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Advancements in the chemistry of contact Lenses: Innovations and applications 隐形眼镜化学的进步:创新与应用
IF 2.5
Results in Chemistry Pub Date : 2024-10-24 DOI: 10.1016/j.rechem.2024.101872
Abdulamier A. Abdulamier , Lina M. Shaker , Ahmed A. Al-Amiery
{"title":"Advancements in the chemistry of contact Lenses: Innovations and applications","authors":"Abdulamier A. Abdulamier ,&nbsp;Lina M. Shaker ,&nbsp;Ahmed A. Al-Amiery","doi":"10.1016/j.rechem.2024.101872","DOIUrl":"10.1016/j.rechem.2024.101872","url":null,"abstract":"<div><div>The field of contact lenses has undergone significant advancements, driven by innovations in materials science and chemistry. This review provides a comprehensive overview of the key developments in the chemistry of contact lenses, tracing the evolution from early designs to modern high-performance materials. It explores the fundamental chemistry of polymer materials, the introduction of hydrogels and silicone hydrogels, and the impact of surface chemistry on lens wettability and comfort. The review also delves into innovative materials and technologies, such as biocompatible materials, smart contact lenses, and lenses with UV-blocking and photochromic properties. Manufacturing processes, including casting, molding, and surface treatments, are discussed in detail. Furthermore, the review highlights functional enhancements like antimicrobial coatings and drug-delivery systems, along with environmental and safety considerations. Clinical implications and applications are examined, with a focus on vision correction, therapeutic uses, and future directions. The article concludes by addressing current challenges and potential research directions in the chemistry of contact lenses.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"12 ","pages":"Article 101872"},"PeriodicalIF":2.5,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142539289","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Enhanced Structural, Optical, and photovoltaic properties of Sm-Doped MAPbI2Br perovskite solar cells 增强掺杂 Sm 的 MAPbI2Br 包晶太阳能电池的结构、光学和光伏特性
IF 2.5
Results in Chemistry Pub Date : 2024-10-24 DOI: 10.1016/j.rechem.2024.101875
M.I. Khan , Saddam Hussain , M. Atif , M.S. Hasan , Manuel J. Pellegrini-Cervantes , Margarita Rodríguez-Rodríguez
{"title":"Enhanced Structural, Optical, and photovoltaic properties of Sm-Doped MAPbI2Br perovskite solar cells","authors":"M.I. Khan ,&nbsp;Saddam Hussain ,&nbsp;M. Atif ,&nbsp;M.S. Hasan ,&nbsp;Manuel J. Pellegrini-Cervantes ,&nbsp;Margarita Rodríguez-Rodríguez","doi":"10.1016/j.rechem.2024.101875","DOIUrl":"10.1016/j.rechem.2024.101875","url":null,"abstract":"<div><div>Samarium-enhanced methylammonium lead iodide bromide (Sm-MAPbI<sub>2</sub>Br) thin films were applied onto FTO-glass substrates. X-ray diffraction (XRD) analysis revealed an enlargement in grain size to 29.09 nm, a decrease in dislocation line density to 4.32 x 10<sup>15</sup> m<sup>−2</sup>, an expansion in d-spacing to 5.18 Å, a reduction in lattice constant to 1.59 Å, and a diminished volume in the cubic crystal lattice of MAPbI<sub>2</sub>Br. The incorporation of Sm<sup>2+</sup> ions resulted in a narrowed band gap energy (1.95 eV), an augmented refractive index (2.65), and a decreased extinction coefficient (2.24). The solar cell constructed with a 5 % Sm<sup>2+</sup> doping level demonstrated an enhanced open-circuit voltage of 1.05 V, a notable increase in short-circuit current density to 9.87 mA/cm<sup>2</sup>, a fill factor of 0.80, and an elevated efficiency reaching 9.32 %. Comparative analyses suggest that the cell with 5 % Sm<sup>2+</sup> doping experiences a lower rate of recombination compared to undoped MAPbI<sub>2</sub>Br-based cells. EIS is used to investigate enhanced charge transport in hybrid MAPbI<sub>2</sub>Br devices, emphasizing the impact of a Sm-doped thin layer on carrier dynamics. The robustness of the open-circuit voltage highlights the potential of layering MAPbI<sub>2</sub>Br in the development of highly efficient solar cells.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"12 ","pages":"Article 101875"},"PeriodicalIF":2.5,"publicationDate":"2024-10-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142554417","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Initially reactive and concentrated generalized fluid wavy flow with the applications of disorder theory and magnetic field: A computational study 应用无序理论和磁场的初始反应和浓缩广义流体波浪流:计算研究
IF 2.5
Results in Chemistry Pub Date : 2024-10-23 DOI: 10.1016/j.rechem.2024.101871
Saleem Javed, Latif Ahmad
{"title":"Initially reactive and concentrated generalized fluid wavy flow with the applications of disorder theory and magnetic field: A computational study","authors":"Saleem Javed,&nbsp;Latif Ahmad","doi":"10.1016/j.rechem.2024.101871","DOIUrl":"10.1016/j.rechem.2024.101871","url":null,"abstract":"<div><div>The wavy flow of generalized fluid namely, Cross fluid is mathematically formulated on a gravitationally affected vertical wavy surface with significant physical effects which is the main theme of this work. This particular dynamics of chemically reactive materials is further explored with an irreversible process. A significant heat transfer is measured through thermal resistance during the consideration of entropy optimization. Since entropy generation is associated with the mechanical system<!--> <!-->energy loss is more helpful in monitoring the entropy production in different engineering and industrial processes. Specifically, such irreversibility process appearance causing a noticeable low efficiency in the relevant practical sectors. For better performance in the minimization of friction on the wavy surface, flow is dissipated in terms of heat. However, the measure of loss in terms of work is introduced in the form of thermal radiation, viscous dissipation, magnetic field, and first-order chemical reaction. Additionally, the expected pressure drooping on the wavy surface is another goal of the entire study. The non-linear mathematical equations are determined by following the maximum viscosity approach. Relevant and important results are portrayed to show the various features of the newly developed work. The significant findings are approximated via one of the collocation methods while using MATLAB software. The Richardson number and buoyancy parameter enhanced the flow speed of the materials. The heat transfer rate is decreased by both Eckert number and wavy amplitude and the chemical reaction factor enhanced the mass transfer rate. The heat energy of the materials is escalated with the help of electromagnetic wave radiation and temperature ratio factor. Strengthening the chemical reaction factor declined the mass flow during the typical motion of the liquid. In the last, a comparison is provided to show the accuracy of the numerical approach.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"12 ","pages":"Article 101871"},"PeriodicalIF":2.5,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142553759","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Evaluation of antioxidant, antimicrobial, antidiabetic, anti-tyrosinase, and neuroprotective effects of β-ionone: in vitro and in silico analysis 评估β-酮的抗氧化、抗菌、抗糖尿病、抗酪氨酸酶和神经保护作用:体外和硅学分析
IF 2.5
Results in Chemistry Pub Date : 2024-10-23 DOI: 10.1016/j.rechem.2024.101874
Jihane Touhtouh , Mustapha Laghmari , Taoufiq Benali , Tarik Aanniz , Mohamed Akhazzane , Khang Wen Goh , Waleed Al Abdulmonem , Abdelhakim Bouyahya , Gokhan Zengin , Khalil Hammani
{"title":"Evaluation of antioxidant, antimicrobial, antidiabetic, anti-tyrosinase, and neuroprotective effects of β-ionone: in vitro and in silico analysis","authors":"Jihane Touhtouh ,&nbsp;Mustapha Laghmari ,&nbsp;Taoufiq Benali ,&nbsp;Tarik Aanniz ,&nbsp;Mohamed Akhazzane ,&nbsp;Khang Wen Goh ,&nbsp;Waleed Al Abdulmonem ,&nbsp;Abdelhakim Bouyahya ,&nbsp;Gokhan Zengin ,&nbsp;Khalil Hammani","doi":"10.1016/j.rechem.2024.101874","DOIUrl":"10.1016/j.rechem.2024.101874","url":null,"abstract":"<div><div><em>β</em>-Ionone is a bioactive phytochemical that has been extracted from many flowers, vegetables, and fruits. <em>β</em>-Ionone is an intriguing lead molecule from which several derivatives have been generated and exhibiting a variety of biological effects. Here, we investigated the <em>β</em>-Ionones’ antioxidant, anti-cholinesterases (AChE and BChE), anti-α-amylase, anti-α-glucosidase, and anti-tyrosinase activities. The antibacterial and antifungal effects were also studied. Moreover, <em>in silico</em> studies using molecular docking were carried out to understand the obtained results. The antioxidant activity performed by six different assays including phosphomolybdenum, CUPRAC, FRAP, DPPH, ABTS and metal chelating assay showed that <em>β</em>-Ionone exhibits a promising antioxidant activity. Besides, a good inhibition of AChE and BChE, as well as <em>α</em>-glucosidase, <em>α</em>-amylase, and tyrosinase was obtained. Molecular docking evidenced that <em>β</em>-Ionone correctly occupied the active site of the five studied enzymes through various kind of interactions which corroborate the <em>in vitro</em> outcomes. Moreover, <em>in silico</em> ADMET assessment showed that <em>β</em>-Ionone presented a good ADMET profile. Gram positive bacteria, specifically <em>S. aureus</em> (DIZ = 25 ± 1.5 mm; MIC = 6.25 mg/mL; CMB = 6.25 mg/mL) and <em>B. cereus</em> (DIZ = 21.5 ± 1 mm; MIC = 0.78 mg/mL; CMB = 0.78 mg/mL), showed greater susceptibility. Regarding Gram negative ones, <em>P. aeruginosa</em> exhibited also marked sensitivity (DIZ = 20.33 ± 1.5 mm; MIC = 12.5 mg/mL; CMB = 12.5 mg/mL). Additionally, <em>β</em>-Ionone can limit the growth of <em>C. albicans</em> (DIZ = 23 ± 1 mm; MIC = 1.56 mg/mL; CMB = 1.56 mg/mL). A bactericidal and fungicidal efficacy could be suggested as the MBC/MIC towards all the four inhibited pathogens was equal to 1. To sum up, data suggested that <em>β</em>-Ionone could have potential applications as an antioxidant, antimicrobial, and antifungal compound, as well as a potential inhibitor of tyrosinase, α-amylase, α-glucosidase, and cholinesterases. Furthermore, it can serve as a lead chemical in the creation of a new semisynthetic drug intended in order to treat numerous illnesses, including diabetes, Alzheimer’s disease, and pigmentation disorders.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"12 ","pages":"Article 101874"},"PeriodicalIF":2.5,"publicationDate":"2024-10-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142553757","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Base-free transfer hydrogenation of carbonyl substrates catalysed by neutral ruthenium(salicylaldimine) complexes: Inhibitory effect of visible light 中性钌(水杨醛亚胺)络合物催化的羰基底物无碱转移氢化反应:可见光的抑制作用
IF 2.5
Results in Chemistry Pub Date : 2024-10-22 DOI: 10.1016/j.rechem.2024.101870
N. Visagie, M.C. Joseph, E.D. Maggott, S.F. Mapolie
{"title":"Base-free transfer hydrogenation of carbonyl substrates catalysed by neutral ruthenium(salicylaldimine) complexes: Inhibitory effect of visible light","authors":"N. Visagie,&nbsp;M.C. Joseph,&nbsp;E.D. Maggott,&nbsp;S.F. Mapolie","doi":"10.1016/j.rechem.2024.101870","DOIUrl":"10.1016/j.rechem.2024.101870","url":null,"abstract":"<div><div>In this study, a series of neutral ruthenium salicylaldimine complexes were synthesized and evaluated as catalysts for the base-free transfer hydrogenation of carbonyl compounds, including acetophenone. Under base-free conditions, the complexes demonstrated high catalytic activity, achieving conversions of up to 79 % for acetophenone with a turnover number (TON) of 790 after 2 h at 82 °C. Comparatively, when a base (2 mol% KOH) was used, the conversion dropped to 17–25 %. Extending the reaction time to 3 h under base-free conditions increased the conversion to 90 %, with a TON of 900. The catalysts were also tested on a range of substrates: acetophenone derivatives with electron-donating substituents showed conversions up to 89 %, while electron-withdrawing groups resulted in lower conversions (67 %). Additionally, sterically hindered substrates like benzophenone yielded 72 % conversion. Visible light exposure significantly reduced catalytic activity, resulting in up to a 26 % decrease in conversion due to the formation of an inactive bis(salicylaldimine) ruthenium species. Mechanistic studies revealed that the reaction proceeds via an oxidative addition pathway, with the formation of a ruthenium-hydride intermediate confirmed by NMR and FT-IR spectroscopy.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"12 ","pages":"Article 101870"},"PeriodicalIF":2.5,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142525781","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Chitosan extracted from the feather of Dosidicus gigas crosslinked with glutaraldehyde for use as a 99Mo adsorbent 用戊二醛交联从千层虫羽毛中提取的壳聚糖用作 99Mo 吸附剂
IF 2.5
Results in Chemistry Pub Date : 2024-10-22 DOI: 10.1016/j.rechem.2024.101858
Erika Bardales-Abanto , Erick Zevallos-Mendoza , Victor Poma Llantoy , Anais Adauto , Ana Cecilia Valderrama Negrón , Pablo Mendoza , Joshelyn Paredes-Zavala
{"title":"Chitosan extracted from the feather of Dosidicus gigas crosslinked with glutaraldehyde for use as a 99Mo adsorbent","authors":"Erika Bardales-Abanto ,&nbsp;Erick Zevallos-Mendoza ,&nbsp;Victor Poma Llantoy ,&nbsp;Anais Adauto ,&nbsp;Ana Cecilia Valderrama Negrón ,&nbsp;Pablo Mendoza ,&nbsp;Joshelyn Paredes-Zavala","doi":"10.1016/j.rechem.2024.101858","DOIUrl":"10.1016/j.rechem.2024.101858","url":null,"abstract":"<div><div>The production of Technetium-99 m (<sup>99m</sup>Tc) is important for cancer diagnosis. The solvent extraction is the most widely used method to obtain <sup>99m</sup>Tc; however, due to the evaporation of the polluting solvent into the environment, a radiochemical separation using a chromatographic column system based on adsorbent materials would be cleaner and more efficient.</div><div>In this study, squid feather (<em>Dosidicus gigas</em>) chitosan (SFC) polymers have been synthesized and crosslinked with glutaraldehyde solutions at concentrations of 50, 40 and 25 % to study the adsorption of <sup>99</sup>Mo with the aim of test a promising material to produce <sup>99m</sup>Tc in the chromatographic column of the <sup>99</sup>Mo/<sup>99m</sup>Tc generator. Likewise, the same methodology of synthesis was performed using a commercial chitosan (CC) as a control. Deacetylation degree was measured obtaining 74.15 % and 77.65 % for the SFC and CC polymers, respectively. The molecular weight obtained was 990.72 kDa for SFC and 722.72 kDa for CC and the characterization of the biopolymers was performed with FTIR, SEM, XRD, TGA y FT Raman techniques. Equilibrium time, adsorbent mass and pH effect were evaluated as factors that influence the adsorption process of <sup>99</sup>MoO<sub>4</sub><sup>-2</sup>. The zero load point (pH<sub>PZC</sub>) analysis confirmed the positive charge of the crosslinked polymers, improving the adsorption capacity of <sup>99</sup>MoO<sub>4</sub><sup>-2</sup> at low pH values between 2 and 4, following a pseudo-first order model. With respect to the adsorption isotherms, they exhibit maximum values of <sup>99</sup>MoO<sub>4</sub><sup>2-</sup> of 482 mg g<sup>−1</sup> SFCG40 and 502 mg g<sup>−1</sup> CCG25 with a better fit to the Langmuir theoretical model.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"12 ","pages":"Article 101858"},"PeriodicalIF":2.5,"publicationDate":"2024-10-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142578499","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Investigation of the impurity effect on the kinetics of thermal decomposition of natural gypsum at high temperatures 研究杂质对天然石膏高温热分解动力学的影响
IF 2.5
Results in Chemistry Pub Date : 2024-10-19 DOI: 10.1016/j.rechem.2024.101867
Natalia Uporova, Lyubov Leonova
{"title":"Investigation of the impurity effect on the kinetics of thermal decomposition of natural gypsum at high temperatures","authors":"Natalia Uporova,&nbsp;Lyubov Leonova","doi":"10.1016/j.rechem.2024.101867","DOIUrl":"10.1016/j.rechem.2024.101867","url":null,"abstract":"<div><div>Natural gypsum is the most common sulfate on our planet, which is widely used in construction due to its excellent astringent properties, environmental friendliness, thermal and fire resistance, accessibility in nature and low price. Currently, the influence of modifiers, impurities and additives that can improve the strength, acoustic and thermal insulation characteristics of gypsum, which is so important in modern architecture, construction and reducing power consumption, is being increasingly studied. However, additives and impurities, controlled and uncontrolled, as in natural gypsum, can unpredictably affect the thermal stability and fire resistance of gypsum. The purpose of our work is to study the thermal characteristics of gypsum from various deposits in a wide temperature range. Our work shows that the temperature and rate of dissociation of gypsum directly depends on impurities that can change the process of its decomposition. As a result of the decomposition of natural gypsum with impurities, new phases are formed.</div><div>It has been experimentally shown that the process of thermal destruction of gypsum with impurities has a complex multistage character, which is described by successive reactions of the nth order of the Avrami-Erofeev equation. It can be assumed that the reaction mechanism consists in the rapid formation of numerous nucleation centers on the surface of solid anhydrite. Kinetic parameters of thermal decomposition of gypsum of complex composition and phase formation at high temperatures are calculated. This experimental study shows the dependence of thermal stability on the amount and grade of impurities in gypsum. The results obtained contribute to the improvement of the basic concepts of the mechanism of decomposition of gypsum, as well as the explanation of some high-temperature phase formation processes in nature.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"12 ","pages":"Article 101867"},"PeriodicalIF":2.5,"publicationDate":"2024-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142571547","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis, biological evaluation, molecular docking analyses, and ADMET study of azo derivatives containing 1-naphthol against MβL-producing S. maltophilia 含 1-萘酚的偶氮衍生物的合成、生物学评价、分子对接分析和 ADMET 研究,对抗产生 MβL 的嗜麦芽糖酵母菌
IF 2.5
Results in Chemistry Pub Date : 2024-10-18 DOI: 10.1016/j.rechem.2024.101864
Zahraa Falah Azeez , Luay Ali Khaleel , Hussein Ali Kadhim Kyhoiesh
{"title":"Synthesis, biological evaluation, molecular docking analyses, and ADMET study of azo derivatives containing 1-naphthol against MβL-producing S. maltophilia","authors":"Zahraa Falah Azeez ,&nbsp;Luay Ali Khaleel ,&nbsp;Hussein Ali Kadhim Kyhoiesh","doi":"10.1016/j.rechem.2024.101864","DOIUrl":"10.1016/j.rechem.2024.101864","url":null,"abstract":"<div><div><em>Stenotrophomonas maltophilia</em> is a model organism exhibiting intrinsic antibiotic resistance, primarily due to its production of Mβ-lactamase enzymes that inactivate β-lactam antibiotics. This study aims to synthesize an azo derivative containing an oxazepine ring as a potential inhibitor of Mβ-lactamase. The molecular docking results revealed that the binding energies of the Mβ-lactamases ranged from − 5.95 to − 6.09 kcal/mol, indicating favourable interactions with the synthesized compounds. Two compounds were prepared: the first via aldol condensation of (A1) with p-hydroxybenzaldehyde to form (K1) and the second through Azo-Schiff base formation from 3,5-dimethylaniline, resulting in (L2) and (L18). Characterization of these compounds was conducted via FT-IR, CHN, <sup>1</sup>H NMR, and <sup>13</sup>C NMR spectroscopy. Antimicrobial activity was assessed through minimum inhibitory concentration (MIC) and minimum bacterial concentration (MBC) tests, which yielded values ranging from 1.19 ± 1 to 0.02 µg/mL and from 1.12 ± 1 to &gt; 0.04 µg/mL, respectively. Notably, the MBC/MIC ratios indicated that L2 and L18 exhibited significant bactericidal activity. In silico analysis via MOE 2015 software allowed us to determine the binding poses and energies of the synthesized inhibitors against Mβ-lactamase (PDB ID: 6UAF). The most stable conformation from the docking results was selected for further evaluation. Compared with standard ceftazidime, the synthesized compounds significantly inhibited Mβ-lactamase activity. Additionally, ADMET analysis indicated favourable pharmacokinetic profiles and low toxicity, suggesting promising oral drug-like properties for the synthesized molecules.</div></div>","PeriodicalId":420,"journal":{"name":"Results in Chemistry","volume":"12 ","pages":"Article 101864"},"PeriodicalIF":2.5,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142525788","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Dichloromethane -Methanol fraction of Mahonia nepalensis containing Berberine, Jatrorrhizine, and Tetrahydroberberine as corrosion inhibitor for mild steel 含有小檗碱、药根碱和四氢小檗碱的尼泊尔赤芍二氯甲烷-甲醇馏分作为低碳钢的缓蚀剂
IF 2.5
Results in Chemistry Pub Date : 2024-10-18 DOI: 10.1016/j.rechem.2024.101866
Anju Kumari Das , Shova Neupane , Kanchan Kumar Nayak , Suraj Shrestha , Nabin Karki , Dipak Kumar Gupta , Amar Prasad Yadav
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