Development of QSAR model based on Monte Carlo optimization for predicting GABAA receptor binding of newly emerging benzodiazepines [0.03%]
基于蒙特卡罗优化的苯二氮卓类药物GABAA受体结合能力QSAR模型的建立
Aleksandra Antović,Radovan Karadžić,Jelena Živković et al.
Aleksandra Antović et al.
Benzodiazepines and their derivatives belong to a category of new psychoactive substances that have been introduced into the continually expanding illicit market. However, there is a notable absence of available pharmacological data for the...
The comparison of the speed of solving chemistry calculation tasks in the traditional way and with the use of ICT [0.03%]
传统方法与使用ICT解决化学计算任务速度的比较
Brina Dojer,Andrej Šorgo,Matjaž Kristl
Brina Dojer
Efficiency of time use is a key factor in chemistry calculation tasks, affecting both, personal and professional domains. This study is dedicated to finding the fastest methods for accomplishing chemistry tasks. Our investigation delves int...
Franc Perdih
Franc Perdih
Dear readers of Acta Chimica Slovenica, In this year Acta Chimica Slovenica, the journal published by Slovenian Chemical Society, is celebrating 70th anniversary.
Potentiometric Study of the Dissociation and the Metal Complex-formation Competence of 5-(3,3-dimethyl-1-triazeno)-imidazole-4-carboxamide (Dacarbazine) [0.03%]
电位法研究3,3-二甲基三氮唑-5-氨基脲异烟酰胺（达卡巴嗪）的解离及其金属鳌合能力
Hasan Atabey,Faisal Naji Al-Obaidi,Hayati Sari
Hasan Atabey
A potentiometric investigation has been carried out to disclose the coordination properties of Dacarbazine, 5-(3,3-dimethyl-1-triazeno)-imidazole-4-carboxamide (abbreviated DTIC) with particular transition metal ions (Zn2+, Cu2+, Ni2+ and C...
Novel Antioxidants Based on Selected 3d Metal Coordination Compounds with 2-Hydroxybenzaldehyde 4,S-Diallylisothiosemicarbazone [0.03%]
基于选定的3d金属配合物与2-羟基苯甲醛茋异硫氢酸胺的新抗氧化剂
Vasilii Graur,Anastasia Mardari,Pavlina Bourosh et al.
Vasilii Graur et al.
2-Hydroxybenzaldehyde 4,S-diallylisothiosemicarbazone (HL) was synthesized and characterized by 1H, 13C NMR and FTIR spectroscopies. It exists in solution in two isomeric forms: cis (~25%) and trans (~75%). Six stable complexes were obtaine...
Syntheses, Characterization, Crystal Structures and Antimicrobial Activity of Copper(II), Nickel(II) and Zinc(II) Complexes Derived from 5-Bromo-2-((cychlopentylimino)methyl)phenol [0.03%]
5-溴-2-[(环戊亚胺基)甲基]苯酚衍生的铜(ii)、镍(ii)和锌(ii)配合物的合成、表征、晶体结构及抗菌活性研究
Li Zhang,Xiao-Yang Qiu,Shu-Juan Liu
Li Zhang
Four new complexes of copper(II), nickel(II) and zinc(II), [CuL2] (1), [Ni3L2(4-BrSal)2(CH3COO)2(CH3OH)2]·2CH3OH (2), [ZnBr2(HL)2] (3) and [ZnL(dca)]n (4), where L is 5-bromo-2-((cychlopentylimino)methyl)phenolate, HL is the zwitterionic f...
Corrosion Inhibition Behavior and Adsorption Mechanism of Ethyl Acetate Extract from Scorzonera Undulata for Carbon Steel in 1 M HCl Solution [0.03%]
extracts of Scorzonera undulata ethyl acetate corrosion inhibition behavior and mechanism for carbon steel in 1 mol/L hydrochloric acid solution
Asma Soudani,Harkati Brahim,Nadjem Abdelkader et al.
Asma Soudani et al.
For carbon steel X70 in a 1 M hydrochloric acid solution, Scorzonera undulata acetate extract (SUAc) was investigated as an ecological corrosion inhibitor. The anti-corrosion effect of Scorzonera undulata extract is studied using potentiody...
Copper and Magnetic Activated Carbon Nanocomposites: Application as Recoverable Catalyst for C-S Coupling Reaction [0.03%]
铜和磁性活性炭纳米复合材料在C-S偶联反应中作为可回收催化剂中的应用
Vajihe Nejadshafiee,Ehsan Ghonchepour,Hojatollah Khabazzadeh et al.
Vajihe Nejadshafiee et al.
In this study, activated carbon (AC) was prepared from pistachio nut shell precursor as agricultural by-product. The prepared AC was used to synthesize an efficient nanocomposite via loading of the copper metal and magnetic nanoparticles (C...
Branko Stanovnik
Branko Stanovnik
The Effect of Different Numerical Approaches on the Accuracy of Calculating Relaxation Spectra for Polysaccharides [0.03%]
不同数值方法对多糖松弛谱计算精度的影响
Anatolij Nikonov,Urška Florjančič
Anatolij Nikonov
For polymeric materials, the relaxation spectrum contains complete information about the time-dependent part of the material response. The contribution of different numerical schemes, i.e., different methods of reconstructing the dynamic re...