Quinazoline Derivatives Designed as Efflux Pump Inhibitors: Molecular Modeling and Spectroscopic Studies

Multidrug resistance of bacteria is a worrying concern in the therapeutic field and an alternative method to combat it is designing new efflux pump inhibitors (EPIs). This article presents a molecular study of two quinazoline derivatives, labelled BG1189 and BG1190, proposed as EPIs. In silico approach investigates the pharmacodynamic and pharmacokinetic profile of BG1189 and BG1190 quinazolines. Molecular docking and predicted ADMET features suggest that BG1189 and BG1190 may represent attractive candidates as antimicrobial drugs. UV-Vis absorption spectroscopy was employed to study the time stability of quinazoline solutions in water or in dimethyl sulfoxide (DMSO), in constant environmental conditions, and to determine the influence of usual storage temperature, normal room lighting and laser radiation (photostability) on samples stability. The effects of irradiation on BG1189 and BG1190 molecules were also assessed through Fourier-transform infrared (FTIR) spectroscopy. FTIR spectra showed that laser radiation breaks some chemical bonds affecting the substituents and the quinazoline radical of the compounds.     

Reactions of quinones with some amino alcohols,thiols and a UV-Vis study

Abstract

In the present study, the reactions of 2,3-dichloro-1,4-naphthoquinone (DCNQ) with amino-1,2-propanediol and some thiols were investigated. Novel N-, N,S-, and S,O- substituted derivatives were obtained and the structures of all compounds were characterized by spectroscopic methods (FT-IR, ¹H NMR, ¹³ Baker, R. A.; Tatum, J. H.; Nemec, S. Antimicrobial Activity of Naphthoquinones from Fusaria. Mycopathologia 1990, 111, 9–15. DOI: 10.1007/BF02277294.[Crossref], [PubMed], [Web of Science ®] , [Google Scholar]C NMR, Mass spectroscopy) and microanalysis. The absorption behaviors of novel compounds were also investigated with UV-Vis spectroscopy in different solvents, such as ethanol, tetrahydrofuran and chloroform.     

溴酸钾-亚甲蓝催化光度法测定硝酸盐和亚硝酸盐

用镉柱将NO-3 还原为NO-2 ,利用在磷酸介质中NO-2 对溴酸钾氧化亚甲蓝这一褪色反应具有强烈的催化作用而建立了同时测定痕量硝酸盐和亚硝酸盐的新方法。本方法简便、快速、灵敏 ,对亚硝酸盐和硝酸盐测定的线性范围分别为 0～ 2 0 0 μg·L-1和 0 0 0 3～ 310 μg·L-1,用于测定各种水样中痕量NO-2 和NO-3 的含量均获得满意结果     

含氟碳菁染料聚集行为的研究

本文对五种不同结构的含氟碳菁染料的甲醇溶液及吸附在碘溴化银T 颗粒表面的聚集行为进行了研究 ,测定了照相性能 ,计算了增感倍率。Dye1 ,Dye2 ,Dye3在甲醇溶液中测得的单分子态吸收曲线 ,当取代基从C2 H5→CH3→无取代基时 ,最大吸收峰对应的波长向短波方向移动 ;乙基取代基的增感染料 (Dye1 )吸附在碘溴化银表面形成的J 聚集态峰值较高 ,对应的增感倍率也高。没有取代基的增感染料 (Dye3)不形成J 聚集 ,增感倍率低 ,有减感作用。Dye4与Dye5相比 ,Dye4具有尖而窄的J 聚集反射光谱 ,增感倍率高。结果表明 :不同结构的增感染料吸附在卤化银颗粒上形成的J 聚集态不同 ,吸收谱带窄的J 聚集态增感染料具有较高的增感倍率。     

Reaction of D2 with palladium fulleride C60Pd4.9

Fullerene deuteride was obtained by the reaction of deuterium with solid palladium fulleride C₆₀Pd_4.9 under fairly mild conditions. The compound was identified by FD-MS, UV-Vis and IR spectroscopies, and TLC.Translated from Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 2, pp. 483–484, February, 1996     

Determination of ultra-trace gold in natural water by graphite furnace atomic absorption spectrophotometry after in situ enrichment with thiol cotton fiber

A simple method of determining ultra-trace Au in natural water was presented by using graphite furnace atomic absorption spectrophotometry (GFAAS) after in situ enrichment with thiol cotton fiber (TCF). The sample solution was adjusted to pH 1.5-2.0 with HCl, then the water sample was passed through a column packed with 0.10-0.20 g TCF and the flow rate was controlled at 20-40 ml min⁻¹. The effects of interferences, such as complexing and oxidizing agents and other elements adsorbed on TCF were overcome by chemical treatments prior to the desorption of Au. The adsorbed Au was adsorbed with 2.0 ml hot acid, then it was extracted with 1.00 ml methyl isobutylketone (MIBK). For a 5 l water sample, the detection limit of Au is 0.02 ng l⁻¹. The relative standard deviation (R.S.D.) for the determination of 1.44 ng l⁻¹ Au was 9.4%.The method was applied to determine ultra-trace Au both in suspended phase and soluble phase in natural water, the concentrations of total Au in natural water samples range from 0.51 to 67.82 ng l⁻¹. The recovery of added 0.50-6.00 ng l⁻¹ Au was 80-95%. The method is useful in prospecting for Au deposits by means of hydrogeochemical methods. The enrichment is carried out in the field, and then the determination of Au is completed later in the laboratory.     

苯并噻唑重氮氨基偶氮苯与汞（Ⅱ）的显色反应及其应用

报道了新试剂苯并噻唑重氮氨基偶氮苯的合成及其与汞（Ⅱ）的显色反应，在ＴｒｉｔｏｎＸ－１００存在下弱碱性介质中，试剂与汞形成２：１的橙红色络合物，最大吸收波长位于５２０ｎｍ处，表观摩尔吸光系数为１．５１×１０＾５Ｌ．ｍｏｌ＾－１．ｃｍ＾－１。汞量在０～１．２ｍｇ／Ｌ范围内遵守比尔定律，直接应用于废水中微量汞的测定，结果满意。     

催化动力学光度法测定痕量钴(Ⅱ)

本法基于钴 (Ⅱ )对高碘酸钾氧化孔雀绿的催化作用 ,提出一种灵敏地测定痕量钴 (Ⅱ )的新方法。该方法线性范围在 0～ 0 8μg·2 5mL- 1 ,检测限为 2 1× 10 - 1 0 g·mL- 1 。测定出反应表现活化能Ea=37 94kJ·mol- 1 。此法用于茶叶、维生素B1 2 中钴的测定 ,结果满意     

饮食中微量元素砷的分布规律与人体健康关系

采用催化动力学光度法测定了六大类(共三十种)样品中的总砷含量，探讨了砷在食品中的分布规律，建立了砷在人体中的安全系效和积累系效的效学评价公式，用于评价砷与人体健康的关系，这对人们选择食物有一定的指导意义。     

新席夫碱吡哆醛缩邻氨基酚的合成及其分析应用研究

本文研究了新席夫碱吡哆醛缩邻氨基酚的合成及其分析应用，提出了钒（Ｖ）的分光光度测定法，该法简便，灵敏，选择性好。