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31.
Hongjin Wang Tengfei Long Hao Zhang Meng Li Qi Sun Xin Zhai Lixin Sun 《Biomedical chromatography : BMC》2022,36(4):e5301
3,4-Difluorobenzyl(1-ethyl-5-(4-((4-hydroxypiperidin-1-yl)-methyl)thiazol-2-yl)-1H-indol-3-yl)carbamate (NAI59), a small molecule with outstanding therapeutic effectiveness to anti-pulmonary fibrosis, was developed as an autotaxin inhibitor candidate compound. To evaluate the pharmacokinetics and plasma protein binding of NAI59, a UPLC–MS/MS method was developed to quantify NAI59 in plasma and phosphate-buffered saline. The calibration curve linearity ranged from 9.95 to 1990.00 ng/mL in plasma. The accuracy was −6.8 to 5.9%, and the intra- and inter-day precision was within 15%. The matrix effect and recovery, as well as dilution integrity, were within the criteria. The chromatographic and mass spectrometric conditions were also feasible to determine phosphate-buffered saline samples, and it has been proved that this method exhibits good precision and accuracy in the range of 9.95–497.50 ng/mL in phosphate-buffered saline. This study is the first to determine the pharmacokinetics, absolute bioavailability, and plasma protein binding of NAI59 in rats using this established method. Therefore, the pharmacokinetic profiles of NAI59 showed a dose-dependent relationship after oral administration, and the absolute bioavailability in rats was 6.3%. In addition, the results of protein binding showed that the combining capacity of NAI59 with plasma protein attained 90% and increased with the increase in drug concentration. 相似文献
32.
Microbial fuel cells (MFCs) have been extensively studied as self-powered toxicity biosensors; however, their applications are limited by the relatively poor toxicity responses. The toxicity responses are known to be related to the factors such as the resistance of species to toxicants, the bioavailability of toxicants and the type of sensing elements. Accordingly, some strategies have already been proposed to enhance the toxicity responses in the past several years, including the external resistance tuning, quorum sensing effect, shear stress control, nutrient level control, electrode material choice, sensing element choice, and cell configuration design. This work introduces and discusses these strategies, and the suggestion for future work is also provided finally. 相似文献
33.
Basis Sets Dependency in Constructing Spectroscopy-Accuracy Ab Initio Global Electric Dipole Moment Functions 下载免费PDF全文
Recently, more attention have been paid on the construction of dipole moment functions (DMF) using theoretical methods. However, the computational methods to construct DMFs are not validated as much as those for potential energy surfaces do. In this letter, using Ar...He as an example, we tested how spectroscopyaccuracy DMFs can be constructed using ab initio methods. We especially focused on the basis set dependency in this scenario, i.e., the convergence of DMF with the sizes of basis sets, basis set superposition error, and mid-bond functions. We also tested the explicitly correlated method, which converges with smaller basis sets than the conventional methods do. This work can serve as a pictorial sample of all these computational technologies behaving in the context of constructing DMFs. 相似文献
34.
ZIF-8是一种Zn基金属有机骨架材料, 可以吸附丙酮气体从而作为电容式丙酮传感器的气敏材料, 然而ZIF-8的传统使用形式为粉末态, 这导致其不能成为具备柔性的整体, 从而限制了传感器的柔性. 结合包埋种子和二次生长法将ZIF-8与纳米纤维结合成纤维型柔性材料, 并将其作为气敏层制备了柔性电容式丙酮气体传感器. 该传感器在9种常见挥发性有机化合物中表现出良好的选择性, 对250~2000 cm3/m3的丙酮气体具有灵敏的响应、良好的循环响应及长期稳定性. 值得注意的是该柔性传感器不仅在室温下进行传感, 而且在弯折180°的状态下对丙酮气体的响应值与不弯折(0°)状态下几乎一致, 在200次以内的180°弯折-恢复后同样表现出了传感性能的稳定, 表明了其在柔性传感器方面的潜力. 相似文献
35.
Qingqing Ma Shanlin Xu Zhaodong Zhai Kai Wang Xueli Liu Prof. Haibin Xiao Prof. Shuping Zhuo Prof. Yuying Liu 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(39):e202200828
Peroxynitrite (ONOO−) as a major reactive oxygen species plays important roles in cellular signal transduction and homeostatic regulation. Precise detection of ONOO− in biological systems is vital for exploring its physiological and pathological function. Among numerous detection methods, fluorescence imaging technology using fluorescent probes offers some advantages, including simple operation, high sensitivity and selectivity, as well as real-time and nondestructive detection. In particular, ratiometric fluorescent probes, in which the built-in calibration of the two emission bands prevents interference from the biological environment, have been extensively employed to monitor the fluctuation of bioactive species. In this review, we will discuss small-molecule ratiometric fluorescent probes for ONOO− in live cells or in vivo, which involves chemical structures, response mechanisms, and biological applications. Moreover, the challenges and future prospects of ONOO−-responsive ratiometric fluorescent probe are also proposed. 相似文献
36.
In the current research, through employing the dual ligand method, a novel coordination polymer has been produced in success via the reaction between H2glu and In(NO3)3·6H2O in the existence of the nitrogen-donor chelating 2,2′-bpy ligand in CH3CN In(III) and DMF mixed solvent, and its chemical formula is In(glu)(Hglu)(2,2′-bpy) (1, 2,2′-bpy is 2,2′-bipyridine and H2glu is glutaric acid). Its application values on the acute stroke were assessed and the corresponding mechanism was investigated simultaneously. Firstly, the levels of inflammatory response in the astrocytes were evaluated by ELISA by measuring the content of inflammatory cytokines released into cerebrospinal fluid. Additionally, the miRNA199a relative expression levels in astrocytes were measured via exploiting real time RT-PCR. Molecular docking simulation demonstrated that synthesized In ion complex exhibited excellent biological activities, multiple binding interactions were formed by the carboxyl groups on the In ion complex. 相似文献
37.
槲皮素是具有丰富生物活性的黄酮类化合物,药理活性显著。本文以槲皮素为先导物,选择性对C环3位羟基进行修饰,以廉价的芦丁为原料,经苄基保护、Williamson成醚反应,再经Pd/C催化加氢脱苄基得到28个未见文献报道的槲皮素-3-O-丙基衍生物,其结构经1H NMR、13C NMR、ESI-MS进行确证。采用MTT法考察了所合成化合物对人食管鳞癌(EC109)、人胃癌(HGC27)、人乳腺癌(MCF-7)、小鼠黑色素瘤(B16-F10)的增殖抑制作用。结果显示,通过化学方法对槲皮素结构进行修饰后,其体外抗肿瘤活性增强。其中,化合物F3(IC50=5.23±0.37μmol/L)、F5(IC50=2.63±0.09μmol/L)对小鼠黑色素瘤(B16-F10)抑制作用比5-氟尿嘧啶(IC50=14.38±0.27μmol/L)好,值得进一步研究。 相似文献
38.
Huijie He Xu Fang Dr. Dong Zhai Wei Zhou Yimeng Li Wenling Zhao Dr. Chengcheng Liu Dr. Zhen Li Prof. Weiqiao Deng 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(58):14390-14395
Imines are important intermediates in drug synthesis. Photocatalytic aerobic oxidative coupling of amines has been considered as a clean and promising way to produce imines and has attracted great attention. Herein, we designed and synthesized a novel two-dimensional porphyrin-based covalent organic framework (Por-BC-COF) which adopts an AA stacking mode with excellent crystallinity, high Brunauer–Emmett–Teller surface areas (1200 m2 g−1), wide light absorption range (200–1300 nm) and good stability in a variety of organic solvents. Por-BC-COF can be used as a metal-free heterogeneous photocatalyst for the photocatalytic oxidation of amines to imines under visible light and red light with a high yield (97 %). This work presents a novel and efficient COF photocatalyst in the application of light-driven organic synthesis. 相似文献
39.
Xiaoya Wang Bingbing Liu Jie Li Yunyun Zhai Haiqing Liu Lei Li Herui Wen 《Electroanalysis》2021,33(6):1484-1490
2D metal-organic framework (MOF) has potential applications in electrocatalysis owing to fast mass transfer, charge transfer and large specific surface area. Here, we had prepared three conductive 2D MOF based on Ni, NiCo and Co in a simple and rapid way. The 2D nanostructure of MOF was confirmed by SEM and TEM. The chemical composition was studied by XRD, Raman and XPS spectrum. The electrochemical oxidation and detection was investigated through cyclic voltammetry and current-time method. Their sensing performance for urea was determined by varying oxidation potentials and metal sites. The non-enzymatic Ni-, NiCo- and Co-MOF sensors had good catalytic activity for urea. Compared with NiCo- and Co-MOF, Ni-MOF had a wider linear range (0.5–832.5 μM), high sensitivity (1960 μA mM−1 cm−2), low detection limit (0.471 μM), and fast response time. The sensors had well repeatability, reproducibility, and selectivity to specific interfering species. Furthermore, Ni- and NiCo-MOF modified electrode was also applied to detection of milk samples. The results showed that the recovery was satisfactory, which further confirmed the effectiveness of non-enzyme sensor. In general, the highly-sensitive 2D Ni- and NiCo-MOF modified electrode has great potential as nonenzymatic urea sensors for real samples detection in hydrogen energy, clinical diagnostics, and environmental protection, et al. 相似文献
40.