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Insights into Antiradical Behavior: Crystal Structures and DFT Analysis of 2-Formylpyridine N4-Allylthiosemicarbazone Salts. 抗自由基行为的洞察:2-甲酰吡啶n4 -烯基硫代氨基脲盐的晶体结构和DFT分析。
IF 1.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-12-04 DOI: 10.17344/acsi.2024.8728
Yurii Chumakov, Vasilii Graur, Ianina Graur, Victor Tsapkov, Olga Garbuz, Aurelian Gulea

In this paper, six new salts of 2-formylpyridine N4-allylthiosemicarbazone ([H2L]X⸱nH2O, where X is NO3- (1), NH2SO3- (2), Cl- (3), Cl3CCOO- (4), Cl2CHCOO- (5), ClCH2COO- (6); n = 0 (1, 3, 5, 6), 1 (2, 4)) were synthesized and physico-chemically characterized by elemental analysis, molar conductivity measurements, FT-IR studies, 1H and 13C NMR. The crystal structures of compounds 1-5 were determined by single-crystal X-ray diffraction. Analysis of crystal data shows that the structures of these compounds consist of protonated thiosemicarbazone H2L+, anions of acid residue and water molecules in 2 and 4. These compounds manifest antiradical activity toward ABTS•+ cation radicals that exceeds the activity of non-protonated thiosemicarbazone HL and trolox, that is used in medicine. The most active one is compound [H2L]Cl (3) with IC50 value 9.9 μmol/L. Density Functional Theory calculations showed that the electronic structure of cation H2L+ is more favorable for electron acceptation if compared with HL.

本文合成了6种新型2-甲酰吡啶烯丙基硫代氨基脲([H2L]X⸱nH2O,其中X为NO3-(1)、NH2SO3-(2)、Cl-(3)、Cl3CCOO-(4)、Cl2CHCOO-(5)、ClCH2COO- (6);合成了n = 0(1,3,5,6), 1(2,4)),并通过元素分析,摩尔电导率测量,FT-IR研究,1H和13C NMR进行了物理化学表征。化合物1 ~ 5的晶体结构通过单晶x射线衍射测定。晶体数据分析表明,这些化合物的结构由质子化硫代氨基脲H2L+、酸渣阴离子和2和4中的水分子组成。这些化合物对ABTS•+阳离子自由基的抗自由基活性超过了医学上使用的非质子化硫代氨基脲HL和曲洛酮的活性。其中活性最强的是化合物[H2L]Cl (3), IC50值为9.9 μmol/L。密度泛函理论计算表明,与HL相比,阳离子H2L+的电子结构更有利于电子接受。
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引用次数: 0
Synthesis, Characterization and Crystal Structures of Aroylhydrazones Derived from 2-Chlorobenzaldehyde with Various Benzohydrazides. 2-氯苯甲醛与各种苯并肼衍生物芳基腙的合成、表征及晶体结构
IF 1.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-12-03 DOI: 10.17344/acsi.2024.8967
Jiaxue Liu, Shi-Yu Zhang, Wei Li, Zhonglu You

Reaction of 2-chlorobenzaldehyde with 3-trifluoromethylbenzohydrazide, 3,5-dimethoxybenzohydrazide, 4-trifluoromethylbenzohydrazide and 2-bromobenzohydrazide, respectively, in methanol afforded four new aroylhydrazones. The newly synthesized compounds were characterized by means of elemental analysis, IR and 1H NMR spectroscopy, and their structures were further confirmed by X-ray single crystal determination. The compounds were assayed for their antibacterial activities against E. coli, P. aeruginosa, B. subtilis, and S. aureus and show interesting results.

2-氯苯甲醛分别与3-三氟甲基苯并肼、3,5-二甲氧基苯并肼、4-三氟甲基苯并肼和2-溴苯并肼在甲醇中反应得到4个新的芳酰腙。通过元素分析、IR和1H NMR对合成的化合物进行了表征,并通过x射线单晶测定进一步证实了化合物的结构。化合物对大肠杆菌、铜绿假单胞菌、枯草芽孢杆菌和金黄色葡萄球菌的抑菌活性进行了测定,结果令人感兴趣。
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引用次数: 0
Synthesis, Characterization and X-Ray Crystal Structures of Schiff Base Zinc(II) Complexes with Antibacterial Activity. 具有抗菌活性的席夫碱锌(II)配合物的合成、表征和x射线晶体结构。
IF 1.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-12-03 DOI: 10.17344/acsi.2024.8928
Yu-Hui Wu, Wanlin Wei, Wei Li, Zhonglu You

Two mononuclear zinc(II) complexes [ZnCl2(HL)] (1) and [ZnBr2(HL)] (2), and a polymeric zinc(II) complex [Zn(dca)L] (3), where HL is the zwitterionic form of the Schiff base 2,4-difluoro-6-(((2-pyrrolidin-1-yl)ethylimino)methyl)phenol (HL), L is the monoanionic form of HL, and dca is dicyanoamide, were prepared and characterized by elemental analysis and infrared spectroscopy, as well as X-ray single crystal determination. Complexes 1 and 2 are isostructural, in which the Zn atoms are in tetrahedral coordination. The Schiff base ligands in both complexes are coordinate to the Zn atoms through phenolate oxygen and imino nitrogen. The zinc atoms in complex 3 are in tetrahedral coordination and are bridged by dicyanoamide ligands. The Schiff base ligand in this complex is coordinates to the zinc atom through phenolate oxygen, imino nitrogen and pyrrolidine nitrogen. Molecules of the three complexes are stabilized by hydrogen bonds. The biological assay indicates that the complexes have good antimicrobial activities on the bacteria strains Escherichia coli, Pseudomonas aeruginosa, Salmonella typhi and Staphylococcus aureus.

制备了两个单核锌(II)配合物[ZnCl2(HL)](1)和[ZnBr2(HL)](2),以及一个聚合锌(II)配合物[Zn(dca)L](3),其中HL为希夫碱2,4-二氟-6-((2-吡啶-1-基)乙基)甲基)苯酚(HL)的阴离子形式,L为HL的单阴离子形式,dca为二氰酰胺。配合物1和2是同构的,其中锌原子呈四面体配位。这两种配合物中的希夫碱配体通过酚氧和亚氨基氮与Zn原子配位。配合物3中的锌原子呈四面体配位,由二氰酰胺配体桥接。该配合物中的席夫碱配体通过苯酚氧、亚胺氮和吡咯烷氮与锌原子配位。这三种配合物的分子由氢键稳定。生物实验表明,该配合物对大肠杆菌、铜绿假单胞菌、伤寒沙门氏菌和金黄色葡萄球菌具有良好的抑菌活性。
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引用次数: 0
Effect of an anionic surfactant on electrochemical response of Leuprolide used in the treatment of precocious puberty: A reliable voltammetric method. 阴离子表面活性剂对治疗性早熟的Leuprolide电化学反应的影响:一种可靠的伏安法。
IF 1.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-12-02 DOI: 10.17344/acsi.2021.7194
Begüm Evranos Aksöz, Burcu Dogan-Topal

In this study, the rapid, simple and sensitive voltammetric method has been developed for the quantification of leuprolide acetate in the presence of anionic surfactant on a glassy carbon electrode. The effect of surfactant types, pH of the medium, scan rate on the voltammetric response of leuprolide acetate were evaluated. The oxidation peak currents of leuprolide acetate were enhanced in the presence of 8.0 x 10-5 M sodium dodecyl sulfate. The monomer structure of sodium dodecyl sulfate can be attracted to amino moieties in drug structure via the electrostatic interaction. The voltammetric behavior of leuprolide acetate exhibited irreversible and diffusion-adsorption mix controlled processes by cyclic voltammetry. Under optimized conditions, the proposed method exhibits linearity in the concentration range of 3.64 x 10-9 - 2.00 x 10-7 M with a nano-level detection limit of 4.70 x 10-10 M by adsorptive stripping square wave voltammetry. The developed method was applied to an injectable dosage form for the determination of leuprolide acetate with satisfactory accuracy and precision.

本研究建立了一种快速、简便、灵敏的测定阴离子表面活性剂在玻碳电极上醋酸leuprolide的伏安法。考察了表面活性剂类型、介质pH、扫描速率对乙酸leuprolide伏安反应的影响。在8.0 × 10-5 M十二烷基硫酸钠的存在下,醋酸leuprolide的氧化峰电流增强。十二烷基硫酸钠的单体结构可以通过静电相互作用被药物结构中的氨基基吸引。循环伏安法测定醋酸leuprolide酯的伏安行为表现为不可逆和扩散-吸附混合控制过程。在优化条件下,该方法在3.64 × 10-9 ~ 2.00 × 10-7 M的浓度范围内呈线性关系,吸附溶出方波伏安法的纳米级检出限为4.70 × 10-10 M。该方法可用于一种注射剂型醋酸leuprolide的测定,准确度和精密度均令人满意。
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引用次数: 0
Flash graphene: a sustainable prospect for electrocatalysis. 闪光石墨烯:电催化的可持续前景。
IF 1.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-12-02 DOI: 10.17344/acsi.2024.8794
Ivo Bardarov, Desislava Apostolova, Maris Minna Mathew, Miha Nosan, Pedro Farinazzo Bergamo Dias Martins, Bostjan Genorio

The increasing demand for sustainable and efficient energy conversion technologies requires ongoing exploration of new materials and methods. Flash Joule Heating (FJH) emerges as a promising technique for large-scale graphene production, boasting advantages over conventional methods. FJH rapidly heats carbon-based precursors to extreme temperatures using high electric currents, forming flash graphene upon rapid cooling. This approach offers rapid processing, high throughput, and can utilize diverse carbon sources, including biomass and waste, making it sustainable and cost-effective. Moreover, it generates minimal waste and yields flash graphene with enhanced conductivity, crucial for energy applications. FJH's scalability, versatility, and efficiency position it as a key method for commercializing graphene across industries, particularly in energy conversion. This review comprehensively discusses FJH synthesis principles, emphasizing efficiency, scalability, and sustainability. Additionally, it analyzes recent advancements in flash graphene-based electrocatalysts, exploring their impact on renewable energy and sustainable electrocatalysis. Challenges and opportunities are addressed, outlining future research directions. Continued advancements hold immense potential to revolutionize graphene production and integrate it into next-generation energy systems, driving the transition towards cleaner energy solutions.

对可持续和高效能源转换技术的需求不断增加,需要不断探索新的材料和方法。Flash Joule Heating (FJH)是一种很有前途的大规模石墨烯生产技术,具有优于传统方法的优点。FJH利用高电流将碳基前体快速加热到极端温度,在快速冷却时形成闪光石墨烯。这种方法处理速度快,产量高,可以利用多种碳源,包括生物质和废物,使其具有可持续性和成本效益。此外,它产生的废物最少,并产生具有增强导电性的闪光石墨烯,这对能源应用至关重要。FJH的可扩展性、多功能性和高效性使其成为石墨烯跨行业商业化的关键方法,特别是在能量转换领域。本文全面讨论了FJH的合成原理,强调了效率、可扩展性和可持续性。此外,它还分析了基于石墨烯的闪蒸电催化剂的最新进展,探讨了它们对可再生能源和可持续电催化的影响。讨论了挑战和机遇,概述了未来的研究方向。石墨烯的不断进步具有巨大的潜力,可以彻底改变石墨烯的生产,并将其整合到下一代能源系统中,推动向更清洁能源解决方案的过渡。
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引用次数: 0
Aaptamine, Promotes Cell Cycle Arrest and Induces Necrotic Cell Death of Colorectal Cancers, Isolated from the Bunaken National Park's Sponge, Aaptos sp. 从布纳肯国家公园的海绵中分离出的Aaptos sp,促进结直肠癌细胞周期阻滞和诱导坏死细胞死亡。
IF 1.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-12-02 DOI: 10.17344/acsi.2024.8779
Annisa Elcentia Fajarwati, Mutia Hardhiyuna, Febby Nurdiya Ningsih, Adam Hermawan, Dyaningtyas Dewi Pamungkas Putri, Nurul Fatimah, Asep Bayu, Andi Setiawan, Ucu Yanu Arbi, Tutik Murniasih, A'liyatur Rosyidah, Tri Aryono Hadi, Masteria Yunovilsa Putra, Peni Ahmadi

The sponge is one of the potential sources of bioactive compounds. Among them, the sponge Aaptos has been a promising discovery of leading drugs including aaptamine (1). This study investigated the aaptamine (1), spectroscopically determined, from Aaptos sp. collected from Bunaken National Park, Indonesia, as an anticancer agent, specifically targeting colorectal cancers (CRCs). Compound 1 showed potent cytotoxicity against DLD-1 and Caco-2 with IC50 values of 30.3 and 236.8 µg/mL, respectively. In addition, the exposure of compound 1 on those colorectal cancer cells could promote cell cycle arrest and relatively induce necrotic cell death.

海绵是生物活性化合物的潜在来源之一。其中,海绵Aaptos已成为包括aaptamine在内的主要药物的有希望的发现(1)。本研究研究了从印度尼西亚Bunaken国家公园收集的Aaptos sp.中光谱测定的aaptamine(1),作为一种抗癌剂,专门针对结直肠癌(crc)。化合物1对DLD-1和Caco-2具有较强的细胞毒性,IC50值分别为30.3和236.8µg/mL。此外,化合物1暴露于结直肠癌细胞可促进细胞周期阻滞,相对诱导坏死细胞死亡。
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引用次数: 0
Synthesis of Schiff Bases of Usnic Acid and Investigation of Their Antidiabetic, Antidepressant, Anti-Parkinson's, Neuroprotective and Antioxidant Potentials. 枸杞酸席夫碱的合成及其抗糖尿病、抗抑郁、抗帕金森、神经保护和抗氧化活性的研究
IF 1.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-23 DOI: 10.17344/acsi.2024.8703
Lawali Yabo Dambagi, Ahmet Cakir, Mehmet Akyuz, Ayşegül İyidogan, Ali Aslan

Schiff bases have various pharmacological activities due to the azomethine (-C=N-) group. Usnic acid is the most famous lichen metabolite and it contains two carbonyl groups to synthesize the Schiff base derivatives with primary amines. Therefore, in the current study, the known Schiff base derivatives (2-5) of usnic acid (1) were synthesized to explore their antidiabetic, neuroprotective, antioxidant, antidepressant and anti-Parkinson's properties.  Among the tested compounds, compound 4 exhibited the strongest antidiabetic and antidepressant activities, inhibiting α-glycosidase, α-amylase and MAO-A enzyme activities, respectively. Moreover, all of the tested compounds strongly scavenged the ABTS and DPPH radicals and the ABTS radical scavenging activities of 3 and 4 were found to be higher than the commercial antioxidants BHA and trolox. All of the tested compounds did not show any significant anti-Parkinson's and neuroprotective activities. In conclusion, compound 4 can be suggested as a drug candidate molecule for further studies due to its strong antioxidant, antidiabetic and antidepressant properties.

希夫碱由于具有亚甲基(- c =N-)基团而具有多种药理活性。Usnic酸是地衣最著名的代谢物,它含有两个羰基,可以与伯胺合成席夫碱衍生物。因此,本研究合成了已知的usnic酸(1)的希夫碱衍生物(2-5),探索其抗糖尿病、神经保护、抗氧化、抗抑郁和抗帕金森病的特性。其中化合物4的抗糖尿病和抗抑郁活性最强,分别抑制α-糖苷酶、α-淀粉酶和MAO-A酶的活性。此外,所有化合物对ABTS和DPPH自由基的清除能力均较强,其中3和4对ABTS自由基的清除能力高于商业抗氧化剂BHA和trolox。所有被测试的化合物都没有显示出任何显著的抗帕金森病和神经保护活性。综上所述,化合物4具有较强的抗氧化、抗糖尿病和抗抑郁作用,可作为候选药物进行进一步研究。
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引用次数: 0
Preparation, characterization and theoretical calculation of a cadmium complex of 3-hydroxy-2-methylquinolin-4-carboxylate and 1, 10-phenanthroline. 3-羟基-2-甲基喹啉-4-羧酸盐和1,10 -菲罗啉镉配合物的制备、表征和理论计算。
IF 1.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-23 DOI: 10.17344/acsi.2024.9004
Ting-Qun Qiu, Zhi-Tao Lu, Zi-Jian He, Zheng-Ping Xie, Jin Guo, Xiu-Guang Yi

A novel organic-inorganic hybrid metal cadmium complex [Cd (MCA)2(Phen)(H2O)] (MCA = 3-hydroxyquinoline-4-carboxylic acid anion; Phen = 1,10-phenanthroline) was synthesized by solvothermal method and characterized by single crystal X-ray diffraction. The title complex exhibits a two-dimensional structure through hydrogen bonding and π···π packing interactions. Solid state photoluminescence spectra show that they exhibit red emission bands at 616 nm, and time-dependent density functional theory calculations show that they are ligand-to-ligand charge transfers. Solid diffuse reflection spectra show that the energy band gap of the complex is 2.32 eV.

采用溶剂热法合成了一种新型有机-无机杂化金属镉配合物[Cd (MCA)2(Phen)(H2O)] (MCA = 3-羟基喹啉-4-羧酸阴离子;Phen = 1,10-菲罗啉),并用x射线单晶衍射对其进行了表征。标题配合物通过氢键和π··π填充相互作用呈现出二维结构。固体光致发光光谱表明,它们在616 nm处呈现红色发射带,随时间变化的密度泛函理论计算表明,它们是配体到配体的电荷转移。固体漫反射光谱表明,该配合物的能带隙为2.32 eV。
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引用次数: 0
Investigation of the composition space diagram CuCl-allylamine-dabco. A new mixed ligand compound of (H2dabco)2[Cu4Cl9(allNH3)] composition with unique Cu4Cl95- cupro(I)-chloride fragment. cucl -烯丙胺-dabco组成空间图的研究。一种新的混合配体化合物(H2dabco)2[Cu4Cl9(allNH3)]组成,具有独特的Cu4Cl95- cupro(I)-chloride片段。
IF 1.3 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-11-21 DOI: 10.17344/acsi.2024.9005
Evgeny Goreshnik, Olha Panteleieva

The ternary system CuCl-allylamine-dabco (dabco = 1,4-diazabicyclo[2.2.2]octane) with an excess of HCl was explored. Starting from an ethanol solution of CuCl2·2H2O, allylamine and dabco titrated with HCl, copper(I) salts were generated by means of electrochemical alternating current synthesis. In addition to the already known (H2dabco)[CuCl3], two modifications of the (allNH3)2[Cu2Cl4] compound and some Cu(II) by-products, a new mixed ligand compound of the composition (H2dabco)2[Cu4Cl9(allNH3)] was synthesized and structurally investigated. Its structure contains unique Cu4Cl95- inorganic moiety bound via a h2-interaction allylammonium moiety and discrete (H2dabco)2+ cations. The structure is stabilized by the system of N-H···Cl hydrogen bonds.

探讨了过量HCl的cu -烯丙胺-dabco (dabco = 1,4-重氮杂环[2.2.2]辛烷)三元体系。以CuCl2·2H2O、烯丙胺和达伯柯为溶剂,用HCl滴定乙醇溶液,采用交流电电化学合成铜(I)盐。除了已知的(H2dabco)[CuCl3]、(allNH3)2[Cu2Cl4]化合物的两种修饰和一些Cu(II)副产物外,合成了一种新的混合配体化合物(H2dabco)2[Cu4Cl9(allNH3)],并对其结构进行了研究。它的结构包含独特的Cu4Cl95-无机部分,通过h2相互作用的烯丙基铵部分和离散的(H2dabco)2+阳离子结合。该结构由N-H···Cl氢键体系稳定。
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引用次数: 0
DRUŠTVENE VESTI IN DRUGE AKTIVNOSTI SOCIETY NEWS, ANNOUNCEMENTS, ACTIVITIES. društvene vesti in druge aktivnosti 社会新闻、公告和活动。
IF 1.2 4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-09-20
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引用次数: 0
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Acta Chimica Slovenica
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