Results in Chemistry最新文献_第9页

Synthesis, antimicrobial and antioxidant activities of ZnO, PbO, and Al2O3 NPs obtained by calcining new coordination polymers 煅烧新型配位聚合物获得的氧化锌、氧化铅和氧化铝纳米粒子的合成、抗菌和抗氧化活性

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2024-10-01 DOI: 10.1016/j.rechem.2024.101840

Maged S. Al-Fakeh , Najla F. Al-Otaibi , Muneera Alrasheedi , Ard elshifa M.E. Mohammed , Norah A. Alsaiari

Creating novel nanomaterials with excellent biological behavior and non-toxic is necessary to achieve more efficient treatment. This research aims to prepare metal oxide nanoparticles and evaluate their bioactivity. New Zn(II), Pb(II), and Al(III) coordination polymers were synthesized with the formula [Zn(BDC)(AMPY)(H₂O)], [Pb(BDC)(AMPY)(H₂O].H₂O, and [Al(BDC)(AMPY)Cl)].H₂O (BDC = 1,4-benzene dicarboxylate and AMPY = 2-amino-4-methyl pyrimidine), and were used as precursors to prepare ZnO, PbO, and Al₂O₃ NPs by calcination method, it is a simple technique, inexpensive, and gives better size, shape, high purity, and crystalline. The created compounds were examined by elemental analysis (C.H.N), ultraviolet spectra, IR spectra, Thermal studies, XRD, and electron microscopes (SEM and TEM). The results showed that all coordination polymers exhibit octahedral geometry, react in the ratios (1:1:1) (BDC: M: AMPY), non-electrolyte, and diamagnetic. According to Transmission electron microscopy, the particle size of metal oxide nanoparticles (MONPs) was found to be 50.14 nm for ZnO with rods and near-spherical shape, ∼3 nm for PbO, and 21.12 nm for Al₂O₃ NPs, both have spherical shapes, these results matched with SEM and XRD. Two species of gram (+v) bacteria, two species of gram (−v) bacteria, and one yeast strain were used to test the antimicrobial effect of MONPs using the agar disk diffusion method. The antioxidant activity of the produced compounds was determined by scavenging DPPH free radicals. Based on the inhibition zone and the DPPH radical scavenging percentage, the prepared metal oxide nanoparticles can be considered antimicrobial and antioxidant agents.

要实现更有效的治疗，就必须创造出生物性能优异且无毒的新型纳米材料。本研究旨在制备金属氧化物纳米粒子并评估其生物活性。研究人员合成了新型 Zn(II)、Pb(II) 和 Al(III) 配位聚合物，其分子式分别为[Zn(BDC)(AMPY)(H2O)]、[Pb(BDC)(AMPY)(H2O].H2O]和[Al(BDC)(AMPY)Cl)]。H2O（BDC = 1,4-苯二羧酸盐，AMPY = 2-氨基-4-甲基嘧啶）作为前驱体，采用煅烧法制备 ZnO、PbO 和 Al2O3 NPs。研究人员通过元素分析（C.H.N）、紫外光谱、红外光谱、热研究、XRD 和电子显微镜（SEM 和 TEM）对所制备的化合物进行了检测。结果表明，所有配位聚合物都呈现八面体几何形状，以（1:1:1）（BDC: M: AMPY）的比例反应，无电解质，具有二磁性。透射电子显微镜显示，金属氧化物纳米粒子（MONPs）的粒径为：ZnO 50.14 nm，呈棒状，接近球形；PbO ∼ 3 nm；Al2O3 NPs 21.12 nm，均呈球形。采用琼脂盘扩散法对两种革兰氏（+v）细菌、两种革兰氏（-v）细菌和一种酵母菌株进行了 MONPs 抗菌效果的测试。通过清除 DPPH 自由基测定了所产生化合物的抗氧化活性。根据抑制区和 DPPH 自由基清除率，可以认为所制备的金属氧化物纳米粒子具有抗菌和抗氧化作用。

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引用次数: 0

Effect of percentage of methanol on micellization position of mixed surfactant interaction in the absence and presence of dye 甲醇百分比对无染料和有染料时混合表面活性剂相互作用胶束化位置的影响

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2024-10-01 DOI: 10.1016/j.rechem.2024.101834

Chandradip Kumar Yadav , Neelam Shahi , Tulasi Prasad Niraula , Amar Prasad Yadav , Shova Neupane , Ajaya Bhattarai

The interaction behavior of mixed surfactant-dye systems, i.e., anionic surfactant sodium dodecyl sulfate (SDS), cationic surfactant cetyl pyridinium chloride (CPC), and dye methyl orange (MO) was investigated through the allocation of micelles using conductivity measurements. Conductivity as a function of surfactant concentration was monitored to calculate the critical micelle concentration (CMC). The conductivity increased sharply as the surfactant content increased, according to the results. Moreover, the conductivity rises with temperature, whereas it falls with increased methanol (CH₃OH). CH₃OH-H₂O mixed solvent media containing 0 %, 10 %, 20 %, and 30 % of CH₃OH at 298.15, 308.15, and 318.15 K to work out the basic micelle fixation, gives significant understanding to the arrangement of the mixed surfactants. The CMC and degree of micellar dissociation (α) of SDS with CPC increase in the CH₃OH and H₂O mixture. The CMC and α values are increased by increasing the temperature. Various thermodynamic parameters, i.e. Standard free energy of micellization (

{Δ G}_{m}^{o}

), Standard enthalpy of micellization (

{Δ H}_{m}^{o}

), and Standard entropy of micellization (

{Δ S}_{m}^{o}

) were computed in SDS-CPC without MO.

{Δ G}_{m}^{o}

values for SDS-CPC in the presence of MO results in micellization more probable with MO.

利用电导率测量法，通过胶束的分配研究了混合表面活性剂-染料体系（即阴离子表面活性剂十二烷基硫酸钠（SDS）、阳离子表面活性剂十六烷基氯化吡啶（CPC）和染料甲基橙（MO））的相互作用行为。通过监测电导率与表面活性剂浓度的函数关系来计算临界胶束浓度（CMC）。结果表明，随着表面活性剂含量的增加，电导率也急剧上升。此外，电导率随温度的升高而升高，而随甲醇（CH3OH）的增加而降低。在 298.15、308.15 和 318.15 K 温度下，含有 0%、10%、20% 和 30% CH3OH 的 CH3OH-H2O 混合溶剂介质可进行基本胶束固定，这对混合表面活性剂的排列有重要意义。在 CH3OH 和 H2O 混合物中，SDS 与 CPC 的 CMC 和胶束解离度 (α)都有所增加。温度升高，CMC 和 α 值也随之升高。计算了不含 MO 的 SDS-CPC 的各种热力学参数，即标准胶化自由能（ΔGmo）、标准胶化焓（ΔHmo）和标准胶化熵（ΔSmo）。有 MO 存在的 SDS-CPC 的 ΔGmo 值表明，有 MO 存在时，胶化的可能性更大。

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引用次数: 0

Band gap engineering of titanium dioxide (TiO2) nanoparticles prepared via green route and its visible light driven for environmental remediation 通过绿色途径制备的二氧化钛（TiO2）纳米粒子的带隙工程及其在可见光驱动下用于环境修复

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2024-10-01 DOI: 10.1016/j.rechem.2024.101850

Yonas Etafa Tasisa , Tridib Kumar Sarma , Ramaswamy Krishnaraj , Suryakamal Sarma

The present study investigates the green synthesis and characterization of Calcium-doped titanium dioxide nanoparticles (Ca-TiO₂ NPs) for their potential application in the degradation of organic pollutants under visible light. The nanoparticles were prepared using a simple phytosynthesis method and characterized by various spectroscopic and microanalytical techniques for structural and optical properties. From UV spectroscopic result it is observed that the energy band gap of pure titanium dioxide (TiO₂) is decreased from 3.1 eV to 2.52 eV, 2.45 eV and 2.35 eV for 2 %, 5 % and 9 % Ca-doped which shows the transformation from UV to Visible light absorbance. The results obtained suggested that, the introduction of calcium significantly enhanced visible light absorption, thereby extending the photocatalytic activity into the visible spectrum. In this study, the degradation potential of Ca-TiO₂ NPs was assessed through the degradation of 4-Nitro phenol and Congo red organic pollutant dyes under visible light spectrum. Results show a substantial improvement in visible light degradation compared to undoped TiO₂, indicating the phenomena of calcium-doped titanium dioxide nanoparticles as efficient visible light-responsive photocatalysts for environmental remediation.

本研究调查了掺钙二氧化钛纳米粒子（Ca-TiO2 NPs）的绿色合成和表征，以了解其在可见光下降解有机污染物的潜在应用。纳米粒子采用简单的植物合成法制备，并通过各种光谱和微分析技术对其结构和光学特性进行了表征。紫外光谱结果表明，掺入 2%、5% 和 9% Ca 的纯二氧化钛（TiO2）的能带隙从 3.1 eV 减小到 2.52 eV、2.45 eV 和 2.35 eV，这表明吸收率从紫外光转变为可见光。结果表明，钙的引入大大增强了可见光的吸收，从而将光催化活性扩展到了可见光谱。本研究通过在可见光光谱下降解 4-硝基苯酚和刚果红有机染料，评估了 Ca-TiO2 NPs 的降解潜力。结果表明，与未掺杂的二氧化钛相比，钙掺杂二氧化钛纳米粒子在可见光下的降解能力大幅提高，表明钙掺杂二氧化钛纳米粒子可作为高效的可见光响应型光催化剂用于环境修复。

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引用次数: 0

Corrigendum to “Extraction Efficiency of loganic acid and gentiopicroside from Gentianae radix et rhizoma by deep eutectic solvent-based ultrasound-assisted extraction” [Res. Chem., https://doi.org/10.1016/j.rechem.2024.101740] 基于深共晶溶剂的超声辅助萃取法从龙胆草中萃取龙胆酸和龙胆甙》的更正[Res. Chem., https://doi.org/10.1016/j.rechem.2024.101740]

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2024-10-01 DOI: 10.1016/j.rechem.2024.101818

Xiaolin Tang , Youjian Xiong , Xia Wei , Jian Zhou , Chuanhua Feng

引用次数: 0

Synthesis, biological evaluation, and in silico study of novel coumarin-quinazoline analogs as potential Anti-Angiogenesis agents 新型香豆素-喹唑啉类似物作为潜在抗血管生成药物的合成、生物学评价和硅学研究

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2024-09-24 DOI: 10.1016/j.rechem.2024.101819

Zahra Emamgholipour , Sara Dabirian , Fariba Peytam , Ebrahim Saeedian Moghadam , Loghman Firoozpour , Maliheh Safavi , Seyed Esmaeil Sadat-Ebrahimi , Maliheh Barazandeh Tehrani , Mohsen Amini , Ali Khalaj , Safura Jokar , Omid Bavi , Hamid Reza Bijanzadeh , Alireza Foroumadi

In the current study, a new series of coumarin-quinazoline derivatives was designed and synthesized based on the quinazoline pharmacophore of VEGFR-2 inhibitors. Human umbilical vein endothelial cells (HUVECs) were utilized as the primary endothelial cells in the development of preliminary screening models to identify potential inhibitors of angiogenesis, given their importance in this process. In cytotoxic tests conducted using the MTT assay, compound 13f exhibited significant anti-proliferative potency against HUVECs, with an IC₅₀ value of 20.2 μM, compared to that of sorafenib (12.8 μM). Furthermore, the cell growth inhibition in the MCF-7 (breast cancer cell line) and HT-29 (human colon adenocarcinoma cell line) was explored to investigate the potential anticancer properties. The compounds examined exhibited minimal toxicity on the cancer cell lines in contrast to sorafenib, underscoring the specificity of this framework for HUVECs over cancer cells. The selectivity index of the most potent compound 13f was further evaluated using HU02 cells (human foreskin fibroblast cells of healthy individuals), resulting into greater selectivity for this compound compared to sorafenib. Finally, computational Molecular modelling experiments were performed to enhance understanding of the potential manner in which the target compounds bind to the active sites of VEGFR-2 (PDB code: 4asd), demonstrating encouraging unique interactions within the active site of VEGFR-2.

在目前的研究中，我们根据 VEGFR-2 抑制剂的喹唑啉药理源设计并合成了一系列新的香豆素-喹唑啉衍生物。考虑到人脐静脉内皮细胞（HUVECs）在血管生成过程中的重要性，研究人员利用其作为原代内皮细胞，建立了初步筛选模型，以确定潜在的血管生成抑制剂。在使用 MTT 法进行的细胞毒性试验中，化合物 13f 对 HUVECs 具有显著的抗增殖效力，其 IC50 值为 20.2 μM，而索拉非尼的 IC50 值为 12.8 μM。此外，研究还探讨了对 MCF-7（乳腺癌细胞系）和 HT-29（人结肠腺癌细胞系）细胞生长的抑制作用，以研究其潜在的抗癌特性。与索拉非尼相比，所研究的化合物对癌细胞系的毒性极小，这表明该框架对 HUVECs 的特异性高于癌细胞。使用 HU02 细胞（健康人的人包皮成纤维细胞）进一步评估了最有效化合物 13f 的选择性指数，结果显示与索拉非尼相比，该化合物具有更高的选择性。最后，进行了计算分子建模实验，以进一步了解目标化合物与 VEGFR-2 活性位点结合的潜在方式（PDB 代码：4asd），结果表明 VEGFR-2 活性位点内存在令人鼓舞的独特相互作用。

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引用次数: 0

Evaluating the efficiency of zeolitic imidazolate framework-67(ZIF-67) in elimination of arsenate from aqueous media by response surface methodology 通过响应面方法评估沸石咪唑酸框架-67（ZIF-67）消除水介质中砷酸盐的效率

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2024-09-23 DOI: 10.1016/j.rechem.2024.101811

Morteza Khalooei , Masoomeh Torabideh , Ahmad Rajabizadeh , Sedigheh Zeinali , Hossein Abdipour , Awais Ahmad , Gholamreza Parsaseresht

In this work, a laboratory examination of the effectiveness of the metal–organic framework ZIF-67 for the elimination of arsenate from aqueous media was evaluated. The properties of the adsorbent were specified by X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), and Fourier transform infrared spectroscopy (FTIR) methods. The impact of various factors like a temperature (25–65 °C), elimination time (5–85 min), pH (2–10), initial content of arsenic (2–10 mg/L), and adsorbent content (0.1–0.9 g/L) was checked. Central Composite Design (CCD) model was utilized to optimize the process. This study showed that the optimal conditions for arsenic elimination are pH level = 6, contact time = 55 min, temperature degree = 47 °C, adsorbent content = 0.58 g/L, and initial content = 5 mg/L. The highest uptake capacity of arsenate was 62.98 mg/g, The experimental findings indicated that the uptake isotherm adheres to the Langmuir model, with an R² level of 0.99. Additionally, the kinetic studies were successfully modeled using a pseudo-second-order approach, achieving an R² = 1. Overall, this study illustrates that the efficiency of the metal–organic framework ZIF-67 in eliminating arsenate from aqueous solutions is promising.

本研究对金属有机框架 ZIF-67 从水介质中去除砷酸盐的有效性进行了实验室检测评估。通过 X 射线衍射 (XRD)、场发射扫描电子显微镜 (FESEM) 和傅立叶变换红外光谱 (FTIR) 方法确定了吸附剂的特性。考察了温度（25-65 °C）、消除时间（5-85 分钟）、pH 值（2-10）、砷初始含量（2-10 毫克/升）和吸附剂含量（0.1-0.9 克/升）等各种因素的影响。利用中央复合设计（CCD）模型对工艺进行了优化。研究表明，除砷的最佳条件为 pH 值 = 6、接触时间 = 55 分钟、温度 = 47 °C、吸附剂含量 = 0.58 克/升、初始含量 = 5 毫克/升。实验结果表明，吸附等温线符合 Langmuir 模型，R2 为 0.99。此外，动力学研究成功地使用了伪二阶方法建模，R2 = 1。总之，这项研究表明，金属有机框架 ZIF-67 从水溶液中消除砷酸盐的效率很高。

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引用次数: 0

Structural activity of synthesized pyrimidine-thiophene and pyrimidine-thiadiazole conjugates as anticancer agents 合成的嘧啶-噻吩和嘧啶-噻二唑共轭物作为抗癌剂的结构活性

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2024-09-22 DOI: 10.1016/j.rechem.2024.101813

Abeer Mogadem , Abrar Bayazeed , Abdulmajeed F. Alrefaei , Sara A. Alqarni , Jihan Qurban , Majid A. Bamaga , E.F.M. El-Zaidia , Nashwa M. El-Metwaly

New pyrimidine linked thiophene conjugates 5a-d and thiadiazole conjugates 7a-d through a carboxamide bridge were synthesized and characterized by the spectral data (IR, NMR and mass). Exploration of the isolated conjugates’ characteristics using DFT methodology revealed that they had angular configurations with distinctive outline of the FMO’s belonging to the thienyl- and thiadiazolyl-pyrimidine classes. In accordance, the FMO’s energy values of these analogues disclosed reduced energy gap (ΔE_H-L=3.66–3.86 eV) than the parent 4 (4.49 eV) and may be arranged as: 7c < 7d < 5c < 5d < 5a < 5b < 7b < 7a < 4. Meanwhile, the cytotoxic effectiveness of the synthesized conjugates was assessed against different cancer cell lines using IC₅₀ values in comparison to 5-Fu, drug reference. The data showed that the acrylamide derivative 4 exhibited the most potent cytotoxicity against MCF-7 and PC3 (IC₅₀ 6.11 ± 0.10 and 7.19 ± 0.04 μM, respectively). Moreover, the carbonic anhydrases inhibitory effect on hCA IX and hCA IIX have been evaluated, using acetazolamide (as standard), showing greater impact on hCA IX compared to hCA IIX. Molecular docking has been applied to investigate the nature of the binding interactions with the target amino acid residues, and it disclosed that the pyrimidine-thiophene conjugates 5d and 5c had the highest binding scores. Finally, the SwissADME pharmacokinetic properties of synthesized conjugates indicated that the acrylamide compound 4 exhibited acceptable pharmacokinetic manners, such GI absorption, solubility, no BBB permeation, and slight CYP450 inhibition, implying a promising therapeutic candidate.

通过羧酰胺桥合成了新的嘧啶连接噻吩共轭物 5a-d 和噻二唑共轭物 7a-d，并通过光谱数据（红外光谱、核磁共振和质量）对其进行了表征。利用 DFT 方法对分离出的共轭物的特征进行研究后发现，这些共轭物具有属于噻吩基和噻二唑基嘧啶类的 FMO 的独特轮廓角构型。因此，这些类似物的 FMO 的能值（ΔEH-L=3.66-3.86 eV）比母体 4（4.49 eV）的能隙小，可排列为同时，使用 IC50 值评估了合成共轭物对不同癌细胞株的细胞毒性效果，并与药物参考值 5-Fu 进行了比较。数据显示，丙烯酰胺衍生物 4 对 MCF-7 和 PC3 的细胞毒性最强（IC50 分别为 6.11 ± 0.10 和 7.19 ± 0.04 μM）。此外，还以乙酰唑胺（作为标准物质）评估了碳酸酐酶对 hCA IX 和 hCA IIX 的抑制作用，结果显示，与 hCA IIX 相比，对 hCA IX 的影响更大。应用分子对接法研究了与目标氨基酸残基的结合相互作用的性质，结果显示嘧啶-噻吩共轭物 5d 和 5c 的结合得分最高。最后，对合成的共轭物进行的 SwissADME 药代动力学性质研究表明，丙烯酰胺化合物 4 表现出可接受的药代动力学方式，如 GI 吸收、可溶性、无 BBB 通透性和轻微的 CYP450 抑制，这意味着它是一种很有前景的候选治疗药物。

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引用次数: 0

Hirshfeld surface, fukui function, molecular docking, molecular dynamics investigation on human immunodeficiency virus-1 (HIV) organism with 2,6-dibromo-4-chloroaniline 2,6-二溴-4-氯苯胺与人体免疫缺陷病毒-1（HIV）机体的希斯菲尔德表面、傅魁功能、分子对接、分子动力学研究

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2024-09-22 DOI: 10.1016/j.rechem.2024.101815

Uma Maheswari Chandramohan , Deepthi Joseph

2,6-Dibromo-4-chloroaniline is a planar molecule. Functional analysis based on vibrational modes is made clearer by spectral analysis. Quantum chemical calculation are characterized, its electronegativity in addition to local characteristics such as electrophilicity and Fukui function. ELF study aims to understand the quantitative behavior of electrons within a system. Docking simulation has been used to assess the energy of binding and coupling between the enhanced protein and ligand combination molecules. The research and development of new drugs heavily relies on the chemical properties of toxicity, metabolism, excretion, distribution, and absorption. The Hirshfeld surface was a helpful tool for illustrating characteristics, such as the electrostatic potential of a molecule inside a crystal structure, that could be quickly and easily learned.

2,6-Dibromo-4-chloroaniline 是一种平面分子。通过光谱分析，基于振动模式的功能分析更加清晰。在量子化学计算中，除了亲电性和福井函数等局部特征外，还对其电负性进行了表征。ELF 研究旨在了解系统内电子的定量行为。对接模拟用于评估增强蛋白质与配体组合分子之间的结合能量和耦合。新药的研究和开发在很大程度上依赖于药物的毒性、代谢、排泄、分布和吸收等化学特性。Hirshfeld 表面是一种有用的工具，可用于说明晶体结构内部分子的静电势等特性，而且可以快速、轻松地学习。

引用次数: 0

Exploiting macrocyclic polylactam for sensing V-series nerve agents: A computational study 利用大环多内酰胺传感 V 系列神经毒剂：计算研究

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2024-09-22 DOI: 10.1016/j.rechem.2024.101812

Dipankar Das , Bishwajit Ganguly

The nerve agents are organophosphorus compounds (OPs) developed as chemical warfare agents (CWAs) that inhibit acetylcholinesterase (AChE) and lead to impeding neurological signals in mammals. Therefore, detecting such nerve agents is important, and efforts to study the fundamental interactions of host systems with CWAs are scarce in the literature. In this report, the cyclic 18-membered tetralactam [Ⅰ] as a host molecule has been chosen to sense V-series nerve agents. The DFT calculated results reveal that VM, VG, and VX, bind strongly with the core unit of the host molecule tetralactam [Ⅰ] with a preference for VM. The remarkably higher binding affinity of VM is governed by more hydrogen bonding interactions with the core of the cyclic 18-membered tetralactam [Ⅰ]. The nerve agent Russian VX has been found to bind weakly with the receptor molecule. The hydrogen bonding interactions of these nerve agents have further been analyzed with non-covalent interactions (NCI) and atoms in molecule (AIM) calculations. The tetralactam moiety exhibits the binding with V-series nerve agents and the absorption spectral results can be used as diagnostic signatures for sensing of such nerve agents in useful applications.

神经毒剂是作为化学战剂（CWAs）开发的有机磷化合物（OPs），可抑制乙酰胆碱酯酶（AChE），导致哺乳动物神经信号受阻。因此，检测这类神经毒剂非常重要，而研究宿主系统与 CWAs 基本相互作用的文献却很少。本报告选择了环状 18 元四内酰胺 [Ⅰ]作为宿主分子来感知 V 系列神经毒剂。DFT 计算结果表明，VM、VG 和 VX 与宿主分子四内酰胺 [Ⅰ] 的核心单元结合力很强，其中 VM 更受青睐。VM 的结合亲和力之所以明显较高，是因为它与环状 18 元四内酰胺[Ⅰ]的核心有更多的氢键相互作用。俄罗斯神经毒剂 VX 与受体分子的结合力较弱。通过非共价相互作用（NCI）和分子中的原子（AIM）计算，进一步分析了这些神经毒剂的氢键相互作用。四内酰胺分子显示出与 V 系列神经毒剂的结合力，其吸收光谱结果可作为诊断特征，在有用的应用中感知这类神经毒剂。

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引用次数: 0

Structural and transport properties of newly synthesized ZSM-5 sourcing silica from coconut shell ash 从椰壳灰中提取二氧化硅新合成的 ZSM-5 的结构和传输特性

IF 2.5 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2024-09-20 DOI: 10.1016/j.rechem.2024.101810

Aparna Sarker , Abu Sufian Rabbi , Nasrin Akter Nadi , A. K. M. Lutfor Rahman , A.A. Momin , Khondoker Shahin Ahmed , Hasina Akhter Simol

ZSM-5 is a crucial catalyst in industrial chemistry and petrochemical processing, distinguished by its unique structural and chemical properties. The cost of its production is heavily influenced by the expense of silica-alumina sources, which are the primary precursors for the formation of the zeolitic network. This study introduces a pioneering approach to synthesize the valuable zeolite ZSM-5 using waste coconut shell ash (CSA), a readily available and cost-effective alternative natural source of silica. High-purity amorphous silicon dioxide (SiO₂) was successfully extracted from discarded coconut shells, as confirmed by X-ray diffraction (XRD) analysis, providing an eco-friendly approach to the production of this valuable material. The optimal preparation conditions for ZSM-5 were found to be 150 °C and 60 h, yielding the ZSM-5 zeolite from extracted silica. The XRD pattern revealed the presence of a pure crystalline MFI phase in the ZSM-5, and the FTIR findings corroborated its pentasil structure. Microscopic images (SEM and TEM) confirmed that the zeolite was polycrystalline, with agglomerated rod-shaped particles. The WDXRF data revealed a low SiO₂/Al₂O₃ ratio of 17.84. Electrical characterization showed that the dielectric constant decreased with increasing frequency. Complex impedance spectroscopy enabled the distinction between grain and grain boundary contributions to total resistance, and the electric modulus indicated a hopping conduction mechanism. This study demonstrated the potential of a new ZSM-5 using CSA as the source of silica for various catalytic applications.

ZSM-5 是工业化学和石化加工中的一种重要催化剂，具有独特的结构和化学特性。其生产成本在很大程度上受到二氧化硅-氧化铝来源的影响，而二氧化硅-氧化铝来源是形成沸石网络的主要前体。本研究介绍了一种利用废弃椰壳灰（CSA）合成有价值的沸石 ZSM-5 的开创性方法，椰壳灰是一种现成的、具有成本效益的天然二氧化硅替代来源。经 X 射线衍射 (XRD) 分析证实，从废弃椰壳中成功提取了高纯度无定形二氧化硅 (SiO2)，为生产这种宝贵材料提供了一种生态友好型方法。研究发现，ZSM-5 的最佳制备条件是 150 °C 和 60 小时，这样就能从提取的二氧化硅中得到 ZSM-5 沸石。XRD 图谱显示 ZSM-5 中存在纯结晶 MFI 相，傅立叶变换红外光谱结果证实了其五硅结构。显微图像（SEM 和 TEM）证实，沸石是多晶体，具有团聚的棒状颗粒。WDXRF 数据显示 SiO2/Al2O3 比率较低，为 17.84。电学表征表明，介电常数随频率的增加而降低。复阻抗能谱能区分晶粒和晶界对总电阻的贡献，而电模量则表明存在跳变传导机制。这项研究证明了使用 CSA 作为二氧化硅来源的新型 ZSM-5 在各种催化应用中的潜力。

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引用次数: 0