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Ultrasound-assisted self-assembly synthesis of WO3 nanoparticles and its photocatalytic study for tetracycline photooxidation 超声辅助自组装合成 WO3 纳米粒子及其用于四环素光氧化的光催化研究
IF 2.218 Q2 Chemistry Pub Date : 2023-12-08 DOI: 10.1016/j.cdc.2023.101107
Is Fatimah , Hiroko Kawai Wijayanti , Suresh Sagadevan , Won-Chun Oh

The existing work demonstrated the successful synthesis of WO3 nanoparticles in one-pot system via self-assembly synthesis using triton-X as non-ionic polymer templating agent. The fast and efficient method was achieved by ultrasound irradiation. Characterization by using XRD, FTIR, XPS, UV-DRS, SEM, TEM and HRTEM demonstrated the formation of pure WO3 having particle size of 10–25 nm. With the band gap energy of 2.25 eV, the prepared nanoparticles showed excellent photocatalytic performance towards tetracycline photooxidation with removal of 91.84 % during 60 of treatment.

现有研究表明,使用三吨-X 作为非离子聚合物模板剂,通过自组装合成法在一锅系统中成功合成了 WO3 纳米粒子。该方法通过超声辐照实现,快速高效。通过使用 XRD、FTIR、XPS、UV-DRS、SEM、TEM 和 HRTEM 进行表征,证明形成了粒径为 10-25 nm 的纯 WO3。所制备的纳米粒子的带隙能为 2.25 eV,对四环素的光氧化反应具有优异的光催化性能,在 60 次处理过程中的去除率为 91.84%。
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引用次数: 0
Development and validation of UV–Vis spectrophotometric method for determination of rivastigmine in PBS and biological matrices: Application to ex vivo permeation profiles and in vivo studies from trilayer dissolving microneedle 开发并验证紫外可见分光光度法测定 PBS 和生物基质中的利伐斯的明:将三层溶解微针应用于体内外渗透图谱和体内研究
IF 2.218 Q2 Chemistry Pub Date : 2023-12-04 DOI: 10.1016/j.cdc.2023.101106
Aprilia Paramitha Dwi Putri , Nur Rezky Aulia Ilyas , Dian Arnita Putri Abdullah , Febriansyah Anandha Pratama , Kanaya Shafi Azzahra , Andi Dian Permana

Alzheimer's disease (AD) is a neurological illness. AD is often treated with rivastigmine (RV). The present study developed trilayer dissolving microneedle (TDMN) RV delivery system to overcome challenges in RV conventional forms. To enable the assessment of TDMN by ex vivo and in vivo methods, we developed a UV–Visible spectrophotometric method to quantify RV in four media using cobalt thiocyanate as a derivatization reagent. Guidelines set by the International Conference on Harmonization (ICH) were used to validate this approach. Results indicate a correlation coefficient of 0.9999 for all media, with the lower limit of quantification values for Phosphate Buffer Saline, rats’ plasma, skin, and brain matrices were 1.29, 0.67, 0.67, and 0.89 µg/mL, respectively. Significantly, the method is precise and accurate. Finally, to support this study's objective, TDMN formulation was developed, and direct application of the proposed method for quantifying RV in ex vivo and in vivo studies was conducted.

阿尔茨海默病(AD)是一种神经系统疾病。通常使用利伐斯的明(RV)治疗阿尔茨海默病。本研究开发了三层溶解微针(TDMN)RV 给药系统,以克服 RV 传统形式所面临的挑战。为了能够通过体内外方法评估 TDMN,我们开发了一种紫外-可见分光光度法,使用硫氰酸钴作为衍生试剂对四种介质中的 RV 进行定量。国际协调会议(ICH)制定的准则被用来验证这种方法。结果表明,所有介质的相关系数均为 0.9999,磷酸盐缓冲盐水、大鼠血浆、皮肤和脑基质的定量下限值分别为 1.29、0.67、0.67 和 0.89 µg/mL。值得注意的是,该方法既精确又准确。最后,为了支持本研究的目标,我们开发了 TDMN 配方,并将所提出的方法直接应用于体内外 RV 定量研究。
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引用次数: 0
Metal ions detection probes with new chemo-sensors 新型化学传感器金属离子探测探头
IF 2.218 Q2 Chemistry Pub Date : 2023-12-01 DOI: 10.1016/j.cdc.2023.101104
Muhammad Arif

Contamination of water by toxic transition metal ions is increasing gradually. These metal ions cause various types of diseases. Therefore, some sew chemo-sensors 4,4′-((1E,1′E)-(propane-2,2-diylbis(4,1-phenylene))bis(diazene-2,1-diyl))bis(3,5-dihydroxybenzoic acid), [4,4′-((1E,1′E)-(oxybis(4,1-phenylene))bis(diazene-2,1-diyl))bis(3,5-dihydroxybenzoic acid), 4,4′-((1E,1′E)-(sulfonylbis(4,1-phenylene))bis(diazene-2,1-diyl))bis(3,5-dihydroxybenzoic acid), (E)-4-((4-(4-(2-(4-(4-carboxy-2,6-dihydroxyphenoxy)phenyl)propan-2-yl)phenoxy)phenyl)diazenyl)-3,5-dihydroxybenzoic acid] were synthesized and characterized by TLC, UV–Visible spectrophotometry, FTIR, and NMR techniques. The synthesized chemo-sensors exhibited the best performance in sensing the various types of transition metal ions by simply color variation. The detection of metal ions was also monitored by UV–Visible spectrophotometry through shifting in λmax of chemo-sensors caused by interactions.

有毒过渡金属离子对水体的污染日益严重。这些金属离子会引起各种疾病。因此,合成了一些化学传感器4,4′-((1E, 1E)-(丙烷-2,2-二基双(4,1-苯基))-(二氮烯-2,1-二基))-(3,5-二羟基苯甲酸),[4,4′-((1E, 1E)-(氧双(4,1-苯基))-(二氮烯-2,1-二基))-(3,5-二羟基苯甲酸),4,4′-((1E, 1E)-(磺酰基双(4,1-苯基))-(二氮烯-2,1-二基))-(3,5-二羟基苯甲酸),(E)-4-((4-(4-(4-(4-羧基-2,6-二羟基苯氧基)苯基)丙烷-2-基)苯氧基)苯基)二氮基)二氮基)-3,5-二羟基苯甲酸],并通过TLC进行了表征。紫外可见分光光度法,FTIR和核磁共振技术。合成的化学传感器对各种过渡金属离子的传感性能最好。通过化学传感器相互作用引起的λmax位移,采用紫外可见分光光度法监测金属离子的检测。
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引用次数: 0
Phytochemical analysis, antioxidant and antimicrobial activity of three Eucalyptus species essential oils from the Moroccan Maâmora Forest: Eucalyptus cladocalyx F.Muell, Eucalyptus grandis W.Hill ex Maiden and Eucalyptus botryoides Sm. 摩洛哥maalmora森林3种桉树精油的植物化学分析及抗氧化和抗菌活性:Eucalyptus cladocalyx F.Muell, Eucalyptus grandis W.Hill ex Maiden和Eucalyptus botryoides Sm。
IF 2.218 Q2 Chemistry Pub Date : 2023-12-01 DOI: 10.1016/j.cdc.2023.101101
Loubna Koursaoui , Satrani Badr , Mohammed Ghanmi , Imane Jaouadi , Abdelkader Chibani , Nabila Chahboun , El Mahjoub Aouane , Abdelaziz Chaouch , Abdelkader Zarrouk

This research aimed to evaluate the chemical quality, antioxidant, and antimicrobial (antibacterial and antifungal) activity of essential oils (EOs) from three species of Eucalyptus: E. botryoides, E. cladocalyx, and E. grandis. The identification of the chemical profile of these essential oils revealed that 1,8-cineole, α-pinene, and β-(Z)-ocimene constitutes the significant compounds of these EOs. The antioxidant power tests of the essential oils of E. grandis and and E. cladocalyx shows a strong scavenging activity of the DPPH free radical with a percentage of 80.83 % and 80.46 % respectively at the concentration of 160 mg/mL, results confirmed by the FRAP test. As for the antimicrobial activity, the essential oils significantly inhibited the growth against all the strains studied. E. cladocalyx EOs were preferentially effective against fungi at the minimum inhibitory concentration of 1/2000 v/v, then E. grandis EOs were more effective against bacteria and fungi at the minimum inhibitory concentration of 1/1000 v/v. Finally, E. botryoides EO is less effective against the tested microbial strains.

本研究旨在评价三种桉树(botryoides, E. cladocalyx, E. grandis)精油的化学品质、抗氧化活性和抑菌活性。化学成分鉴定表明,1,8-桉叶油脑、α-蒎烯和β-(Z)-桉叶油脑是这些精油的主要成分。在160 mg/mL浓度下,对DPPH自由基的清除率为80.83%,对DPPH自由基的清除率为80.46%,经FRAP试验证实。在抑菌活性方面,精油对所有菌株的生长均有显著抑制作用。当最小抑菌浓度为1/2000 v/v时,叶萼青霉对真菌的抑菌效果较好,而当最小抑菌浓度为1/1000 v/v时,大叶萼青霉对细菌和真菌的抑菌效果较好。最后,botryoides EO对所测试的微生物菌株的效果较差。
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引用次数: 0
A 1:1 cocrystal of 4-oxo-4-(pyridin-2-ylamino)butanoic acid and benzoic acid: Synthesis, characterization, structural and energy framework analysis 4-氧-4-(吡啶-2-氨基)丁酸与苯甲酸的1:1共晶:合成、表征、结构和能量框架分析
IF 2.218 Q2 Chemistry Pub Date : 2023-12-01 DOI: 10.1016/j.cdc.2023.101102
G.K. Radha , Mahesha , S. Naveen , N.K. Lokanath , P.A. Suchetan

A 1:1 cocrystal of 4-oxo-4-(pyridin-2-ylamino)butanoic acid (APS) and benzoic acid (BA), APS-BA (1:1), was prepared and characterized by Differential Scanning Calorimetry (DSC) and Thermo Gravimetric Analysis (TGA), Infrared (FT-IR), powder X-ray diffraction (PXRD) and single crystal X-ray diffraction (SCXRD) studies. Crystal structure reveals that APS-BA (1:1) is formed by joint N-H…O and O-H…N hydrogen bonding between APS and BA molecule resulting in a hetero-dimeric R22(8) motif. A pair of C-H…O interactions and another pair of O-H…O hydrogen bonds between APS molecules ensures formation of a one-dimensional zig-zag hydrogen bonded tape of APS molecules, with the BA molecules occupying pendant position. Hirshfeld surface analysis including energy framework and lattice energy calculations were performed and compared with those of the components APS and BA. Comparison of the computed energetics of individual interactions and the lattice energies showed that cocrystal formation is thermodynamically favoured.

采用差示扫描量热法(DSC)、热重分析(TGA)、红外(FT-IR)、粉末x射线衍射(PXRD)和单晶x射线衍射(SCXRD)对4-氧-4-(吡啶-2-氨基)丁酸(APS)和苯甲酸(BA)的1:1共晶APS-BA进行了表征。晶体结构表明APS-BA(1:1)是由APS和BA分子之间的N- h…O和O- h…N氢键结合形成的异二聚体R22(8)基序。APS分子之间的一对C-H…O相互作用和另一对O- h…O氢键确保APS分子形成一维之字形氢键带,BA分子占据垂坠位置。进行了Hirshfeld表面分析,包括能量框架和晶格能量计算,并与APS和BA组分进行了比较。计算得到的单个相互作用的能量与晶格能量的比较表明,共晶的形成在热力学上是有利的。
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引用次数: 0
Synthesis, in vitro urease inhibitory potential and molecular docking study of thiazolidine-4-one derivatives 噻唑烷-4-酮衍生物的合成、体外脲酶抑制潜能及分子对接研究
IF 2.218 Q2 Chemistry Pub Date : 2023-11-30 DOI: 10.1016/j.cdc.2023.101103
Hayat Ullah , Fahad Khan , Fazal Rahim

Thiazolidin-4-one sixteen analogues (1–16) were synthesized, characterized and tested against urease inhibitory potential. All synthesized analogues showed varied degrees of IC50 values from excellent to good potency as compared to standard thiourea. Analogues 8, 7 and 5 were the most potent analogue with IC50 values 1.10 ± 0.20, 2.30 ± 0.30 and 4.50 ± 0.10 µM respectively among the series. These analogues showed many folds better potency as compared to standard thiourea. All other analogues also showed excellent potency which was many folds better than standard thiourea. Structure-activity relationship was established and binding interactions of the most potent analogues were confirmed through molecular docking studies.

合成了噻唑烷-4- 1-16类似物(1-16),并对其进行了表征和脲酶抑制电位测试。与标准硫脲相比,所有合成的类似物的IC50值从优异到良好不等。类似物8、7和5是最有效的类似物,IC50值分别为1.10±0.20、2.30±0.30和4.50±0.10µM。与标准硫脲相比,这些类似物的效价提高了许多倍。其他类似物均表现出优异的效价,比标准硫脲强数倍。建立了构效关系,并通过分子对接研究确定了最有效的类似物的结合相互作用。
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引用次数: 0
Kinetics and mechanistic approach to electron transfer from renewable isosorbide to Ce (IV) in HClO4 medium HClO4介质中可再生异山梨酯向Ce (IV)电子转移的动力学和机理研究
IF 2.218 Q2 Chemistry Pub Date : 2023-11-30 DOI: 10.1016/j.cdc.2023.101105
Ahmed Fawzy , Nizar El Guesmi , Basim H. Asghar

Kinetics of isosorbide (S) oxidation by Ce(IV) in aqueous HClO4 medium has been examined via spectrophotometric technique at fixed ionic strength and temperature. The reaction showed a 1: 2 stoichiometry (S: Ce(IV)). The reaction was studied under pseudo-first order conditions. The dependency of the rate of oxidation reaction on the reactants’ concentrations showed that the reaction was first order in [Ce(IV)], whereas in both [H+] and [S], its order was lower than unity. The oxidation rate was directly proportional to ionic strength as well as dielectric constant of the reaction medium. However, it should be mentioned that adding Ce(III) had remarkably not affect the rate. The isosorbide oxidation product was recognized as (1S,4S,5R)-4-hydroxy-2,6-dioxabicyclo[3.3.0]octan-8-one). A mechanistic scheme for oxidation coherent with the observed kinetics was proposed. The rate-law expression was derived which was agreed with the acquired outcomes. The calculated activation quantities recommended construction of a rigid intermediate through the reaction and such process was endothermic and non-spontaneous.

用分光光度法研究了在固定离子强度和温度下,Ce(IV)在HClO4水溶液中氧化异山梨酯(S)的动力学。反应呈1:2的化学计量(S: Ce(IV))。在拟一级条件下研究了该反应。氧化反应速率与反应物浓度的关系表明,[Ce(IV)]为一级反应,而[H+]和[S]为低一级反应。氧化速率与反应介质的离子强度和介电常数成正比。然而,应该提到的是,添加Ce(III)对反应速率没有显著影响。异山梨酯氧化产物为(1S,4S,5R)-4-羟基-2,6-二恶沙环[3.3.0]辛烷-8- 1)。提出了与观察到的动力学一致的氧化机理方案。得到了与所得结果一致的速率律表达式。计算出的活化量建议通过反应构建刚性中间体,该过程是吸热的,非自发的。
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引用次数: 0
Crystal structure, intermolecular interactions, charge density distribution and ADME properties of 2-Amino-4-methylpyridinium (oxalate) 0.5: An experimental and theoretical study 2-氨基-4-甲基吡啶(草酸)0.5的晶体结构、分子间相互作用、电荷密度分布和ADME性能的实验和理论研究
IF 2.218 Q2 Chemistry Pub Date : 2023-11-16 DOI: 10.1016/j.cdc.2023.101100
Balasubramanian Hemalatha, Suganya Suresh, Kumaradhas Poomani

The titled salt was synthesized by adding 2-Amino-4-methyl pyridine and Oxalic acid at 1:1 ratio, crystallizes in P21/n space group. The crystal structure of the salt 2-amino-4-methylpyridinium oxalate has been determined from the single crystal X-ray analysis. The crystal structure reveals that a protonation process took place in the solid; this confirms the compound is a salt. The molecular structure of the salt forms hydrogen bonding interactions in the crystal. The crystal structure is stabilized by N–H···O and C–H···O type of interactions. The Hirshfeld surface and 2D fingerprint plot analysis has been performed to understand the weak and strong interactions of the salt molecule. The nitrogen atoms N1 and N2 of 2A4MP are hydrogen bonded with a carboxyl group of oxalate forms a R22(8) ring motif via intermolecular interactions N1–H1A···O1, N2–H2B···O2. The QTAIM analysis of electron density at the critical points of intermolecular interactions shows the charge density distribution of weak and strong interactions. The in-silico ADME predicts that the salt exhibits the drug-likeness property, high bioavailability and high gastrointestinal absorption.

以2-氨基-4-甲基吡啶和草酸为原料,以1:1的比例加入合成了命名盐,在P21/n空间基团上结晶。用单晶x射线分析确定了2-氨基-4-甲基草酸吡啶盐的晶体结构。晶体结构表明固体中发生了质子化过程;这证实了这种化合物是一种盐。盐的分子结构在晶体中形成氢键相互作用。N-H··O和C-H··O型相互作用稳定了晶体结构。通过Hirshfeld表面和二维指纹图谱分析来了解盐分子之间的弱相互作用和强相互作用。2A4MP的氮原子N1和N2通过分子间相互作用(N1 - h1a··O1, N2 - h2b··O2)与草酸盐的一个羧基形成R22(8)环基序。分子间相互作用临界点电子密度的QTAIM分析显示了弱相互作用和强相互作用的电荷密度分布。硅ADME预测该盐具有与药物相似的特性、高生物利用度和高胃肠道吸收。
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引用次数: 0
Valorization of the green corrosion inhibitor Marrubium vulgare L.: Electrochemical, thermodynamic, theoretical & surface studies 绿色缓蚀剂Marrubium vulgare L的电化学、热力学、理论和表面研究
IF 2.218 Q2 Chemistry Pub Date : 2023-11-16 DOI: 10.1016/j.cdc.2023.101099
Sara Rached, Amar Habsaoui, Khaoula Mzioud, Redouane Lachhab, Sara Haida, Nordine Errahmany, Mouhsine Galai, Mohamed Ebn Touhami

The following study explores the potential use of Marrubium vulgare L. essential oil as a plant-based anticorrosion agent against copper in 0.5 M H2SO4. Through electrochemical experiments, the oil significantly reduces copper deterioration in this sulfurous atmosphere. Based on of potentiodynamic polarization curves, Marrubium vulgare L. has a 95.51 % efficiency in preventing corrosion at a concentration of 1 g/l oil. An appropriate electrical circuit model is employed to calculate electrochemical impedance characteristics. The Surface investigation (SEM/EDX) identifies a protective layer on the copper substrate, significantly blocking active copper corrosion sites.

下面的研究探讨了在0.5 M H2SO4中,凡士林精油作为植物基抗铜腐蚀剂的潜在用途。通过电化学实验,该油显著减少了铜在这种含硫气氛中的变质。根据动电位极化曲线,在1 g/l油浓度下,普通Marrubium的防腐效率为95.51%。采用合适的电路模型计算电化学阻抗特性。表面调查(SEM/EDX)在铜基板上发现了一层保护层,有效地阻断了活性铜腐蚀部位。
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引用次数: 0
Unveiling the multifaceted incorporation of epoxy-maize cob nanoparticle composite coating of mild steel in mixed acid environment 揭示了环氧-玉米芯纳米复合涂层在混酸环境下的多方位结合
IF 2.218 Q2 Chemistry Pub Date : 2023-11-07 DOI: 10.1016/j.cdc.2023.101097
Victor Sunday Aigbodion

The surface components of mild steel used in field applications are always subject to wear and corrosion attacks. Epoxy coatings serve to improve the surface properties of mild steel; nonetheless, they do not deliver a multiplexed advantage compared to their coating with inert non-metallic particles. The parametric addition of maize cob ash nanoparticles modified with 0.5 wt% silver nanoparticles in the epoxy coating of mild steel was investigated. The coating was done using the spraying method. The transmission and scanning electron microscope, X-ray diffraction and electrochemical test in mixed acid environment were used in the characterization of the developed composites coating. A 42.86 and 96.16 % improvement in hardness values and corrosion resistance of mild steel was obtained at modified 8 wt% maize cob ash nanoparticles/epoxy coating. The corrosion potential of the coated samples tends to be higher, whereas that of the uncoated mild steel is lower. This study demonstrates that epoxy-8 wt% maize cob ash nanoparticles modified with 0.5 wt% silver nanoparticles can be used to enhance the anti-corrosion of mild steel in a mixed acid environment.

在现场应用中使用的低碳钢的表面成分总是受到磨损和腐蚀。环氧涂料用于改善低碳钢的表面性能;然而,与惰性非金属颗粒涂层相比,它们并没有提供多路复用的优势。研究了0.5 wt%银纳米粒子改性玉米芯灰纳米粒子在低碳钢环氧涂层中的参数添加。采用喷涂法进行涂层处理。采用透射电镜、扫描电镜、x射线衍射和混合酸环境下的电化学测试对制备的复合涂层进行了表征。改性后的玉米芯灰/环氧涂层的硬度和耐蚀性分别提高了42.86%和96.16%。涂层试样的腐蚀电位较高,而未涂层试样的腐蚀电位较低。本研究表明,用0.5 wt%银纳米粒子修饰环氧-8 wt%玉米芯灰纳米粒子可以增强低碳钢在混合酸环境中的抗腐蚀能力。
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引用次数: 0
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