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Study on the Equilibria of the Complex Formation of Anionic Chelate of Zn(II) with Tridentate Ligand and the Cation of 3-(2-naphtyl)-2,5-diphenyl-2H-tetrazolium chloride 锌(II)与三齿配体阴离子螯合物与3-(2-萘基)-2,5-二苯基- 2h -四氮氯化铵阳离子络合物形成平衡的研究
4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-09-20 DOI: 10.17344/acsi.2023.8197
Kirila Stojnova, Pavel Yanev, Vanya Lekova
The equilibria of the complex formation between the anionic chelate of zinc(II) with the tridentate ligand of 4-(2-pyridylazo)-resorcinol (PAR) and the bulky organic tetrazolium cation of 3-(2-naphtyl)-2,5-diphenyl-2Htetrazolium chloride (TV) in the liquid-liquid extraction system Zn(II)‒PAR‒TV‒H2O‒2-methyl-1-propanol was studied by spectrophotometric method. The molar ratio of the reagents was determined by independent methods under the optimum condition for ion-association and for extraction. The validity of Beer’s law was checked and some analytical characteristics were calculated. The constants, describing the association process in aqueous phase and the extraction equilibria, were calculated. Based on this, a reaction scheme, a general formula and a structural formula of the complex were suggested. The zinc(II) cation is six coordinated with the tridentate ligand through the following atoms: the azo nitrogen, the pyridine nitrogen and the oxygen atom from the phenolic group, which is in ortho position relative to the azo group, each of them forming two five-membered chelate rings.
用分光光度法研究了锌(II) - PAR -2 -吡啶偶氮-间苯二酚(PAR)阴离子螯合物与3-(2-萘基)-2,5-二苯基-2 -氯化四氮唑(TV)有机阳离子在液液萃取体系Zn(II) - PAR - TV - h2o -2 -甲基-1-丙醇中络合物形成的平衡。在离子缔合和萃取的最佳条件下,用独立的方法测定了试剂的摩尔比。验证了比尔定律的有效性,并计算了一些解析特性。计算了描述水相缔合过程和萃取平衡的常数。在此基础上,提出了该配合物的反应方案、通式和结构式。锌(II)阳离子通过以下原子与三齿配体六配位:偶氮氮、吡啶氮和相对于偶氮基团处于邻位的酚基氧原子,它们各自形成两个五元螯合环。
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引用次数: 0
Cytotoxic Activities and Morphological Sudies of Thiophene, Thiazole and Pyridazine Derivatives Synthesized from Benzo[d]thiazole Derivatives 苯并噻唑衍生物合成的噻吩、噻唑和吡嗪衍生物的细胞毒活性和形态研究[d]
4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-09-20 DOI: 10.17344/acsi.2023.8057
Karam Ahmed El-Sharkawy, Rafat Milad Mohareb, Sayeed Mukhtar, Humaira Parveen, Mahmoud Ali Abdelaziz
The benzo[d]thiazole derivatives 4a–c were synthesized and used for the synthesis of thiophene derivatives 6a–f. They form the arylhydrazone derivatives 8a–i which were capable to form pyridazine derivatives 9a–i and 10a–i. The latter compounds reacted with thioglycolic acid to produce the thiazole derivatives 12a–i and 13a–i, respectively. The thiazole derivatives 15a–c were also produced from 4a–c through their reactions with elemental sulfur and phenylisothiocyanate. Further heterocyclization reactions of 15a were carried out to produce thiophene derivatives. Evaluations of the synthesized products were carried out against some selected cancer cell lines and the most active compounds were further evaluated against the seventeen cancer cell lines classified according to the disease. Morphological changes of A549 cell line by the effect of compounds 13c and 13h were studied using microenvironment of the lung tissue where an excellent result was obtained.
合成了苯并[d]噻唑衍生物4a-c,并用于合成噻吩衍生物6a-f。它们形成芳基腙衍生物8a-i,而8a-i又能形成吡嗪衍生物9a-i和10a-i。后两种化合物分别与巯基乙酸反应生成噻唑衍生物12a-i和13a-i。以4a-c为原料,与单质硫和苯异硫氰酸酯反应,得到了噻唑衍生物15a-c。进一步对15a进行杂环化反应,得到噻吩衍生物。对合成的产物进行了针对一些选定的癌细胞系的评价,并对根据疾病分类的17种癌细胞系进行了最有效的化合物进一步评价。利用肺组织微环境研究了化合物13c和13h对A549细胞系形态学的影响,获得了良好的结果。
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引用次数: 0
Spectrophotometric Measurement of Lithium in Human Saliva Using the Chromogenic Reagent Thorin 显色试剂索林分光光度法测定人唾液中的锂
4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-09-20 DOI: 10.17344/acsi.2023.8121
Stephen R. Levitt
The feasibility of using the chromogenic dye Thorin to spectrophotometrically measure lithium concentration in human saliva was explored. Absorbance wavelength maximum of the Li-Thorin complex was found to be 480 nm. Absorbance at 480 nm was obtained for saliva calibration standards containing 0.00–5.29 mEq/L of lithium. A least-squares fit produced a regression equation y = 0.128x + 1.449, R = 0.997. This was used to predict lithium concentrations in both artificially prepared lithium/saliva test solutions and in hospitalized patients treated with lithium. Results agree well with atomic absorption spectroscopy. Using a reagent blank with an equivalent amount of saliva as the test samples eliminated protein and electrolyte absorbance interference. This study supports the continued exploration of this method as a non-invasive point-of-care testing approach for monitoring saliva lithium in bipolar disorder.
探讨了用显色染料索林分光光度法测定人唾液中锂离子浓度的可行性。Li-Thorin配合物的最大吸光度波长为480 nm。含锂0.00-5.29 mEq/L的唾液标品在480 nm处获得吸光度。最小二乘拟合得到回归方程y = 0.128x + 1.449, R = 0.997。这被用于预测人工制备的锂/唾液测试溶液和接受锂治疗的住院患者中的锂浓度。结果与原子吸收光谱结果吻合较好。使用含有等量唾液的试剂空白作为测试样品,消除了蛋白质和电解质的吸收干扰。本研究支持继续探索该方法作为监测双相情感障碍患者唾液锂的非侵入性即时检测方法。
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引用次数: 0
Synthesis and Determination of Cerium(IV)-Reducing Antioxidant Capacity (CERAC) Assay of Some New Anthraquinones 几种新型蒽醌类化合物铈还原抗氧化能力(CERAC)的合成与测定
4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-09-20 DOI: 10.17344/acsi.2023.8155
Necla Bektas, Nihal Onul
Novel anthraquinone-based cyclic antioxidants containing amino, thio and oxo groups were synthesized and their antioxidant capacity was determined by using the cerium(IV)-reducing antioxidant capacity (CERAC) assay. 1H, 13C NMR, FTIR-spectroscopy and ESI (Electrospray Ionization) mass spectrometry were used for the characterization of anthraquinone derivatives exhibiting CERAC antioxidant capacity. This study is of great importance, because the antioxidant capacity of anthraquinone compounds was analyzed for the first time by the CERAC method and CERAC-Trolox equivalent antioxidant capacity (TEAC) values were higher than that for Trolox. It should also be noted that, since all synthesized anthraquinone derivatives have the potential to find applications in terms of their biological properties due to their sulfur and nitrogen content, they will make an important contribution to the literature.
合成了含有氨基、硫和氧基的新型蒽醌类环抗氧化剂,并采用铈还原抗氧化能力(CERAC)法测定了其抗氧化能力。采用1H, 13C NMR, FTIR-spectroscopy和ESI (Electrospray Ionization)质谱法对具有CERAC抗氧化能力的蒽醌衍生物进行了表征。本研究首次用CERAC方法分析了蒽醌类化合物的抗氧化能力,结果表明CERAC-Trolox等效抗氧化能力(TEAC)值高于Trolox。需要指出的是,所有合成的蒽醌衍生物由于其含硫和含氮的特性,在生物学特性方面都有潜在的应用潜力,因此它们将对文献做出重要贡献。
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引用次数: 0
Monte Carlo Optimization Based QSAR Modeling of Angiotensin II Receptor Antagonists 基于蒙特卡罗优化的血管紧张素II受体拮抗剂QSAR建模
4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-09-20 DOI: 10.17344/acsi.2023.8081
Nemanja Nikolić, Tomislav Kostić, Mlađan Golubović, Tamara Nikolić, Marija Marinković, Velimir Perić, Sara Mladenović, Aleksandar M. Veselinović
The pathogenesis of essential hypertension, congestive heart failure, and reno-vascular hypertension is related to angiotensin II. This study presents QSAR modeling for a set of compounds acting as angiotensin II receptor antagonists based on the Monte Carlo optimization with molecular graph-based and SMILES notation based descriptors. Conformation independent QSAR models were developed for three random splits. Various statistical approaches were used to assess the statistical quality of the developed models, and the obtained results were very good. This study used a novel statistical metric known as the index of ideality of correlation for the final assessment of the model, and the results that were obtained suggested that the model was good. Also, molecular fragments which account for the increases and/or decreases of a studied activity were defined and then used for the computer-aided design of new compounds as potential angiotensin II receptor antagonists. The final assessment of the designed inhibitors, was performed with the use of molecular docking studies, highlighting exceptional correlation with the QSAR modeling results. The methodology which is presented in this research can be applied for seeking new agents for cardiovascular disorders treatment by angiotensin II receptor antagonism.
原发性高血压、充血性心力衰竭、肾血管性高血压的发病机制与血管紧张素II有关。本研究提出了一组作为血管紧张素II受体拮抗剂的化合物的QSAR模型,该模型基于基于分子图的蒙特卡罗优化和基于SMILES符号的描述符。建立了三个随机分裂的独立构象QSAR模型。采用多种统计方法对所建模型的统计质量进行了评价,得到了很好的结果。本研究使用了一种新的统计度量,即相关理想指数来对模型进行最终评估,得到的结果表明该模型是良好的。此外,研究人员还定义了导致研究活性增加和/或减少的分子片段,然后将其用于计算机辅助设计作为潜在血管紧张素II受体拮抗剂的新化合物。设计抑制剂的最终评估是通过分子对接研究进行的,突出了与QSAR建模结果的特殊相关性。本研究提出的方法可用于寻找血管紧张素II受体拮抗剂治疗心血管疾病的新药物。
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引用次数: 0
Syntheses, Crystal Structures and Antimicrobial Activity of Copper(II) Complexes with the Ligand N,N’-Bis(4-bromosalicylidene)propane-1,2-diamine 铜(II)配体N,N ' -双(4-溴水杨基)丙烷-1,2-二胺配合物的合成、晶体结构和抗菌活性
4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-09-20 DOI: 10.17344/acsi.2023.8104
Yu-Mei Hao
Two new copper(II) complexes, [CuL] (1) and [Cu4Cl2L2(N3)2]·CH3OH (2), derived from the bis-Schiff base N,N’-bis(4-bromosalicylidene)propane-1,2-diamine (H2L) have been prepared and characterized by spectroscopy methods, as well as single crystal X-ray determination. The Cu atom in the mononuclear complex 1 is in square planar coordination. The outer and inner Cu atoms in the phenolate and azide co-bridged tetranuclear complex 2 are in square planar and square pyramidal coordination, respectively. The antibacterial activities of the Schiff base and the two copper complexes have been assayed on the bacteria Staphylococcus aureus and Escherichia coli, and the yeast Candida parapsilosis.
以双希夫碱N,N′-双(4-溴水杨基)丙烷-1,2-二胺(H2L)为原料,制备了两种新的铜(II)配合物[CuL](1)和[Cu4Cl2L2(N3)2]·CH3OH(2),并用光谱学方法和单晶x射线测定对其进行了表征。单核配合物1中的Cu原子呈平面方配位。在苯酚和叠氮共桥的四核配合物2中,铜原子的外层和内部分别为正方形平面配位和正方形锥体配位。测定了希夫碱和两种铜配合物对金黄色葡萄球菌、大肠杆菌和酵母菌的抑菌活性。
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引用次数: 0
Ethanol-Coordinated Dioxidomolybdenum(VI) Complexes with Aroylhyrazone Ligands: Synthesis, Spectroscopic Characterization, Crystal structures and Catalytic Oxidation Property 乙醇-芳基腙配体二氧化钼配合物:合成、光谱表征、晶体结构和催化氧化性能
4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-09-20 DOI: 10.17344/acsi.2023.8195
Zheng Zhou, Cheng Qiu, Xiuchan Xiao, Yan Lei
Two new dioxidomolybdenum(VI) complexes, [MoO2L1(EtOH)] (1) and [MoO2L2(EtOH)] (2), derived from the aroylhydrazone ligands N’-(2-hydroxyl-3-methoxybenzylidene)-3-methylbenzohydrazide (H2L1) and 4-fluoro-N’-(2-hydroxylbenzylidene) benzohydrazide (H2L2), respectively, were prepared in ethanol under ambient temperature. Both complexes were characterized by elemental analysis, IR and UV-Vis spectroscopy, as well as single crystal X-ray determination. The Mo atoms in the complexes are in octahedral coordination. Crystal structures of the complexes are stabilized by hydrogen bonds. The catalytic property for epoxidation of styrene by both complexes was studied.
以芳香腙配体N′-(2-羟基-3-甲氧基苄基)-3-甲基苯并肼(H2L1)和4-氟-N′-(2-羟基苄基)苯并肼(H2L2)为原料,室温下在乙醇中制备了两个新的二氧化钼(VI)配合物[MoO2L1(EtOH)](1)和[MoO2L2(EtOH)](2)。通过元素分析、红外光谱、紫外-可见光谱以及单晶x射线测定对两种配合物进行了表征。配合物中的Mo原子呈八面体配位。氢键稳定了配合物的晶体结构。研究了这两种配合物对苯乙烯环氧化反应的催化性能。
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引用次数: 0
Synthesis, Crystal Structures and Urease Inhibition of Copper(II) and Cobalt(III) Complexes Derived from (((2-(Pyrrolidin-1-yl)ethyl)imino)methyl)naphthalen-2-ol ((2-(吡咯烷-1-酰基)乙基)亚氨基)甲基萘-2-醇衍生铜(II)和钴(III)配合物的合成、晶体结构和脲酶抑制作用
4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-09-20 DOI: 10.17344/acsi.2023.8253
Jian Jiang, Peng Liang, Liang Han, Hui Zhang, Zhonglu You
Three copper(II) and cobalt(III) complexes, [CuL(dca)]n (1), [CuL(N3)]n (2) and [CoL(N3)2(DMF)] (3), where L is the monoanionic form of the Schiff base (((2-(pyrrolidin-1-yl)ethyl)imino)methyl)naphthalen-2-ol (HL), and dca is dicyanamide, have been prepared and characterized by elemental analyses, IR and UV-Vis spectroscopy, as well as single crystal X-ray diffraction. The Cu atoms in complexes 1 and 2 are in square pyramidal coordination, and the Co atom in complex 3 is in octahedral one. Complexes 1 and 2 inhibit the Jack bean urease with IC50 values of 0.25 ± 0.14 and 0.32 ± 0.15 μmol L–1, respectively. Complex 3 show weak activity on Jack bean urease with percentage inhibition of 37%.
制备了三种铜(II)和钴(III)配合物[CuL(dca)]n (1), [CuL(N3)]n(2)和[CoL(N3)2(DMF)](3),其中L为希夫碱的单阴离子形式((2-(吡咯烷-1-酰基)乙基)亚氨基)甲基)萘-2-醇(HL), dca为二氰酰胺),并通过元素分析,IR和UV-Vis光谱以及单晶x射线衍射进行了表征。配合物1和2中的Cu原子呈方锥体配位,配合物3中的Co原子呈八面体配位。配合物1和2对青豆脲酶抑制作用的IC50值分别为0.25±0.14和0.32±0.15 μmol L-1。配合物3对豆豉脲酶的抑制率为37%,活性较弱。
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引用次数: 0
Со(ІІ) and Ni(II) Removal from Aqueous Solutions by Polymer and Polymer/Silica Adsorbents with Sulfo and Carboxyl groups Со(ІІ)和含亚砜和羧基的聚合物和聚合物/二氧化硅吸附剂对水溶液中Ni(II)的去除
4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-09-20 DOI: 10.17344/acsi.2022.7819
Mariia Zhyhailo, Oksana Demchyna, Iryna Yevchuk, Oksana Makota
Sulfo and carboxyl group-containing polymers and polymer/silica adsorbents poly(acrylonitrile-co-2-acrylamido-2-methylpropane-1-sulfonic acid-co-acrylic acid-co-N,N’-methylene-bis-acrylamide) [poly(AN-co-AMPS-co-AAco-MBA)] and poly(AN-co-AMPS-co-AA-co-MBA)/SiO2 were synthesized by a UV-initiated polymerization or simultaneous UV-initiated polymerization and in situ sol-gel process and used as adsorbents for removal of Co(II) and Ni(II) ions from aqueous solutions. The adsorption capacity and the effect of the pH in the removal process have been studied. The poly(AN-co-AMPS-co-AA-co-MBA) adsorbent exhibited high efficiency: up to 91.8 % removal of Co(II) and 89.7 % removal of Ni(II). Polymer/silica adsorbents showed higher removal capacity as compared to pure polymer. The adsorption kinetics of Co(II) and Ni(II) ions were found to be satisfactorily described by the pseudo-second-order reaction equation of the Lagergren kinetic model, suggesting the ion-exchange nature of the process.
采用紫外光引发聚合或同步紫外光引发聚合和原位溶胶-凝胶法合成了含磺基和羧基的聚合物和聚合物/二氧化硅吸附剂聚(丙烯腈- Co -2-丙烯酰胺-2-甲基丙烷-1-磺酸-共丙烯酸- Co -N,N ' -亚甲基-双丙烯酰胺)[聚(AN-co-AMPS-co-AAco-MBA)]和聚(AN-co-AMPS-co-AA-co-MBA)/SiO2,并将其用作去除水溶液中Co(II)和Ni(II)离子的吸附剂。研究了吸附量和pH对去除过程的影响。聚(an - Co - amp - Co - aa - Co - mba)吸附剂对Co(II)的去除率高达91.8%,对Ni(II)的去除率高达89.7%。与纯聚合物相比,聚合物/二氧化硅吸附剂具有更高的去除能力。Co(II)和Ni(II)离子的吸附动力学可以用Lagergren动力学模型的拟二级反应方程满意地描述,表明该过程具有离子交换性质。
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引用次数: 0
Formation and Evolution of the Hydrotalcite-Like Phase During Ageing of Dolomite-Cement Mortars under Various Conditions 不同条件下白云石-水泥砂浆老化过程中类水滑石相的形成与演化
4区 化学 Q3 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2023-09-20 DOI: 10.17344/acsi.2022.7907
Elena Sutormina, Marjan Marinšek, Anton Meden
This work considers the reactions of dolomite powder mixed with Portland cement during ageing under accelerating conditions (60 °C, water or alkaline medium). The phase composition and microstructure of cement-dolomite mortars were studied using X-ray diffraction (XRD), thermogravimetric analysis (TGA), and scanning electron microscopy with X-ray microanalysis (SEM-EDS). The results showed that the alkalinity of the medium increased the dolomite reaction degree but did not affect the reaction products’ composition. The formation of the hydrotalcite-like phase with the general formula Mg4Al2(CO3)1−x(OH)12+2x·nH2O proved to be the predominant route of dolomite consumption in the presence of available aluminium in the hardened cement paste. Then, after three months of ageing, an interlayer anions replacement became noticeable: carbonate anions in the structure of hydrotalcite are gradually replaced by hydroxide ones.
本研究考虑了白云石粉与波特兰水泥在加速老化条件下(60°C,水或碱性介质)的反应。采用x射线衍射(XRD)、热重分析(TGA)和扫描电子显微镜(SEM-EDS)对水泥白云石砂浆的物相组成和微观结构进行了研究。结果表明,介质的碱度增加了白云石的反应程度,但对反应产物的组成没有影响。在有效铝存在的情况下,类水滑石相(Mg4Al2(CO3)1−x(OH)12+2x·nH2O)的形成是白云石消耗的主要途径。然后,经过三个月的老化,层间阴离子的替换变得明显:水滑石结构中的碳酸盐阴离子逐渐被氢氧化物阴离子所取代。
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引用次数: 0
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Acta Chimica Slovenica
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