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991.
Kiho Lee Ji-Yoon Lee Kyeong Lee Cho-Rock Jung Min-Ju Kim Jung-Ah Kim Dong-Gu Yoo Eun-Jin Shin Soo-Jin Oh 《Molecules (Basel, Switzerland)》2021,26(7)
A novel HIF (hypoxia-inducible factor)-1α inhibitor, the (aryloxyacetylamino)benzoic acid derivative LW6, is an anticancer agent that inhibits the accumulation of HIF-1α. The aim of this study was to characterize and determine the structures of the metabolites of LW6 in ICR mice. Metabolite identification was performed using a predictive multiple reaction monitoring-information dependent acquisition-enhanced product ion (pMRM-IDA-EPI) method in negative ion mode on a hybrid triple quadrupole-linear ion trap mass spectrometer (QTRAP). A total of 12 metabolites were characterized based on their MS/MS spectra, and the retention times were compared with those of the parent compound. The metabolites were divided into five structural classes based on biotransformation reactions: amide hydrolysis, ester hydrolysis, mono-oxidation, glucuronidation, and a combination of these reactions. From this study, 2-(4-((3r,5r,7r)-adamantan-1-yl)phenoxy)acetic acid (APA, M7), the metabolite produced via amide hydrolysis, was found to be a major circulating metabolite of LW6 in mice. The results of this study can be used to improve the pharmacokinetic profile by lowering the clearance and increasing the exposure relative to LW6. 相似文献
992.
Maria Luiza Zeraik Ivani Pauli Luiz A. Dutra Raquel S. Cruz Marilia Valli Luana C. Paracatu Carolina M. Q. G. de Faria Valdecir F. Ximenes Luis O. Regasini Adriano D. Andricopulo Vanderlan S. Bolzani 《Molecules (Basel, Switzerland)》2021,26(8)
Cyclooxygenase (COX) and lipoxygenase (LOX) are key targets for the development of new anti-inflammatory agents. LOX, which is involved in the biosynthesis of mediators in inflammation and allergic reactions, was selected for a biochemical screening campaign to identify LOX inhibitors by employing the main natural product library of Brazilian biodiversity. Two prenyl chalcones were identified as potent inhibitors of LOX-1 in the screening. The most active compound, (E)-2-O-farnesyl chalcone, decreased the rate of oxygen consumption to an extent similar to that of the positive control, nordihydroguaiaretic acid. Additionally, studies on the mechanism of the action indicated that (E)-2-O-farnesyl chalcone is a competitive LOX-1 inhibitor. Molecular modeling studies indicated the importance of the prenyl moieties for the binding of the inhibitors to the LOX binding site, which is related to their pharmacological properties. 相似文献
993.
Fernanda das Neves Costa Gerold Jerz Peter Hewitson Fabiana de Souza Figueiredo Svetlana Ignatova 《Molecules (Basel, Switzerland)》2021,26(8)
The detailed metabolite profiling of Laguncularia racemosa was accomplished by high-performance countercurrent chromatography (HPCCC) using the three-phase system n-hexane–tert-butyl methyl ether–acetonitrile–water 2:3:3:2 (v/v/v/v) in step-gradient elution mode. The gradient elution was adjusted to the chemical complexity of the L. racemosa ethyl acetate partition and strongly improved the polarity range of chromatography. The three-phase solvent system was chosen for the gradient to avoid equilibrium problems when changing mobile phase compositions encountered between the gradient steps. The tentative recognition of metabolites including the identification of novel ones was possible due to the off-line injection of fractions to electrospray ionization mass spectrometry (ESI-MS/MS) in the sequence of recovery. The off-line hyphenation profiling experiment of HPCCC and ESI-MS projected the preparative elution by selected single ion traces in the negative ionization mode. Co-elution effects were monitored and MS/MS fragmentation data of more than 100 substances were used for structural characterization and identification. The metabolite profile in the L. racemosa extract comprised flavonoids, hydrolysable tannins, condensed tannins and low molecular weight polyphenols. 相似文献
994.
Zoi G. Lada Amaia Soto Beobide Georgios N. Mathioudakis George A. Voyiatzis 《Molecules (Basel, Switzerland)》2021,26(1)
Polymeric composites constitute an appealing class of materials with applications in various fields. Spin crossover (SCO) coordination complexes are switchable materials with potential use in data storage and sensors. Their incorporation into polymers can be considered an effective method for their wider practical application. In this study, Fe(II) SCO/polylactic acid hybrid polymeric composites have been prepared by film casting. The mononuclear coordination complex [Fe{N(CN)2}2(abpt)2] was incorporated into polylactic acid. The morphological, structural and thermoanalytical characterization of the composite films were performed via scanning electron microscopy (SEM), attenuated total reflectance (ATR/FTIR), Raman spectroscopy and differential scanning calorimetry (DSC). In addition, the migration release study (MRS) of the SCO compound from the polymeric matrix into the food simulant 50% v/v water/ethanol solution was also examined via UV/Vis absorption. Of particular interest was the investigation of the SCO behavior of the coordination complex after its incorporation into the polymer matrix; it was accomplished by temperature-dependent micro-Raman spectroscopy. The described attempt could be considered a preparatory step toward the development of SCO-based temperature sensors integrated into food packaging materials. 相似文献
995.
The Prandtl number is evaluated for the three-dimensional hard-sphere and one-component plasma fluids, from the dilute weakly coupled regime up to a dense strongly coupled regime near the fluid-solid phase transition. In both cases, numerical values of order unity are obtained. The Prandtl number increases on approaching the freezing point, where it reaches a quasi-universal value for simple dielectric fluids of about ≃1.7. Relations to two-dimensional fluids are briefly discussed. 相似文献
996.
Mustafa A. Jihad Farah T. M. Noori Majid S. Jabir Salim Albukhaty Faizah A. AlMalki Amal A. Alyamani 《Molecules (Basel, Switzerland)》2021,26(11)
Flaky graphene oxide (GO) nanoparticles (NPs) were synthesized using Hummer’s method and then capped with polyethylene glycol (PEG) by an esterification reaction, then loaded with Nigella sativa (N. sativa) seed extract. Aiming to investigate their potential use as a smart drug delivery system against Staphylococcus aureus and Escherichia coli, the spectral and structural characteristics of GO-PEG NPs were comprehensively analyzed by XRD, AFM, TEM, FTIR, and UV- Vis. XRD patterns revealed that GO-PEG had different crystalline structures and defects, as well as a higher interlayer spacing. AFM results showed GONPs with the main grain size of 24.41 nm, while GONPs–PEG revealed graphene oxide aggregation with the main grain size of 287.04 nm after loading N. sativa seed extract, which was verified by TEM examination. A strong OH bond appeared in FTIR spectra. Furthermore, UV- Vis absorbance peaks at (275, 284, 324, and 327) nm seemed to be correlated with GONPs, GO–PEG, N. sativa seed extract, and GO –PEG- N. sativa extract. The drug delivery system was observed to destroy the bacteria by permeating the bacterial nucleic acid and cytoplasmic membrane, resulting in the loss of cell wall integrity, nucleic acid damage, and increased cell-wall permeability. 相似文献
997.
当今地球与社会系统所面临的可持续发展、气候变化、环境退化等全球性挑战问题,用还原主义方法不足以应对,需要化学教育等领域的工作者采用系统性思维方法。梳理了国外学者在应用化学系统性思维理解化学学科系统复杂性、化学学习系统层级性、化学教育系统整合性的研究进展。概述了化学系统性思维具有重视跨学科关联、整体综合思考目标系统问题、强调可持续发展的全球观念等特征。建议加强化学教育内外部系统的协作,注重各学段化学课程与教学的跨学科、系统性,重视学生解决化学问题的认识方式差异。 相似文献
998.
999.
针对飞行器改装带来的实时模飞测试问题,提出了一种实时飞行测试系统设计及实现方案。首先分析了待测飞控及安控系统的工作过程和技术特性,给出了实时测试系统应该具备的功能。基于功能需求,明确了系统采用PC上位机-PXI实时下位机的硬件架构,同时给出了上位机、下位机的硬件资源配置。系统采用VeriStand、MathWorks Simulink?、LabVIEW分别完成实时测试项目配置与管理、实时模型开发、虚拟串口设备驱动开发任务,并详细讨论了实时模型和虚拟串口设备驱动的开发过程。最后分析了实时测试结果。 相似文献
1000.
为了对地面目标雷达与红外特性测试的各类数据进行统一规范化管理,使其高效应用,分析各类数据的特性及其处理方式,构建了目标特性数据库管理系统;数据库的整体设计中,在数据头和数据文件方案基础上增加了自动跟随数据表编号的路径生成方法,结合了接口式的运作结构,模块化的数据库功能和层次化的数据表结构设计思路;数据库的编制基于Access数据库管理软件和VC++编程软件,通过ADO数据库访问技术加以实现,详细描述了ADO接口的编程步骤,并对本接口不同指针的入库频率和提取效率进行了对比择优;在运行中,提出了主、副数据库移植性管理方法;工作实践验证了目标特性数据库管理系统的可靠性和高效性,为地面目标特性的测试与分析提供了良好的数据支撑。 相似文献