JOURNAL OF MOLECULAR STRUCTURE
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2022
·
IF 3.841
Rui Chen,Qiuyue Li,Kai Xu,Zhiwei Zhang,Tianhua Wang,Jinkang Ma,Yan Xi,Lifeng Cao,Bing Teng,Haitao Wu
In this present work, a chalcone derivative 1-(4-Chlorophenyl)-3-(4-ethoxyphenyl)-prop-2-en-1-one is investigated using the density functional theory. PES scan is used to find the most stable conformational structure of the title compound. The geometrical parameters, FT-IR and FT-Raman spectra are performed by the DFT method with B3LYP/6-311+G basis set, which are very comparable with the experimental results. UV-Vis spectrum, frontier molecular orbitals, global reactivity descriptors, molecular electrostatic potential surface, NLO parameters and Mulliken charge in the gas phase, various polar and non-polar solvents are performed to reveal solvents effect. Further, it is found that the electronic properties show a good correlation with the polarity of solvents. Hirshfeld Surface analysis demonstrates H···H contact is dominant in the crystal packing. By means of molecular reactivity descriptors such as natural bond orbital analysis, Fukui function and dual descriptor analysis, the chemical reactivity is theoretically estimated. ELF and LOL are used to access the energy density of electrons. Molecular docking illustrates ECC may be a potential inhibitor for 6R3K protein.
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高影响因子
POSTHARVEST BIOLOGY AND TECHNOLOGY
·
2023
·
IF 7
Yali Fan,Jialin Duan,Zhiyan Xu,Yunmin Shi,Lanxiang Jiang,Yulin Li,Ming Ni
Yellowing and quality loss shorten the shelf life of fresh peeled water chestnuts (FPWCs). The purpose of this study was to elucidate the mechanism by which the combination of 3’,4’,5,7-tetrahydroxy isoflavone (3’,4’,5,7-THIF) and active modified atmosphere packaging (AMAP) prolonged the shelf life of FPWCs. FPWCs were treated with 1.0% 3’,4’,5,7-THIF, AMAP (18.3% O 2 , 81.7% N 2 ), and a combination of 1.0% 3’,4’,5,7-THIF and AMAP (18.3% O 2 , 81.7% N 2 ). The yellowing extent, mass loss rate, enzymatic activities, yellowing substance concentrations, quality, and microorganisms of FPWCs were analyzed. The results showed that the three treatments all inhibited the increase in the mass loss rate and activity of peroxidase and lowered the eriodictyol concentration. AMAP (18.3% O 2 , 81.7% N 2 ) and the combination of 1.0% 3’,4’,5,7-THIF and AMAP (18.3% O 2 , 81.7% N 2 ) inhibited the respiration of FPWCs and increased the total soluble solids, titratable acidity, and ascorbic acid concentrations. The three treatments had no significant effects on the activities of polyphenol oxidase and phenylalanine lyase and naringenin concentration. 3’,4’,5,7-THIF (1.0%), AMAP (18.3% O 2 , 81.7% N 2 ), and the combination of 1.0% 3’,4’,5,7-THIF and AMAP (18.3% O 2 , 81.7% N 2 ) prolonged the shelf life of FPWCs by 6, 6, and 12 d, respectively. The combination of 1.0% 3’,4’,5,7-THIF and AMAP (18.3% O 2 , 81.7% N 2 ) was optimal among the three treatment methods. These results suggested that the combination of 1.0% 3’,4’,5,7-THIF and AMAP (18.3% O 2 , 81.7% N 2 ) might be used to extend the shelf life of FPWCs in practice.
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Materials Research Express
·
2016
·Vol. 3
·期 4
·045010
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IF 0.968
Ting Fan,Jiantao Lü,Futian Lin,Zifan Zhou
Improved red emission in polyvinylpyrrolidone (PVP)-coated hollow LaF3:Eu3+ nanoparticles by introducing Li+ ions was found for the first time via a one-step template-free hydrothermal method. The hollow formation can be attributed to self-recrystallization and a local Ostwald ripening thermodynamic process. Pores were clearly seen and widely distributed in all LaF3 nanoparticles. The introduction of Li+ ions did not introduce new crystalline phases and resulted in little change in size and morphology of the LaF3 nanoparticles. The main diffraction peaks were found to shift slightly with the Li+ doping concentrations, which indicates that Li+ changes the crystal field environment of Eu3+. The excitation and red emission intensity both doubled when codoped with 7 mol% Li+ ions. The widely distributed pores and improved luminescence properties of our nanoparticles facilitated the construction of new nanocomposites for novel biological applications.
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EUROPEAN JOURNAL OF PHARMACOLOGY
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2019
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IF 3.17
Qi-meng Liu,Qing Xiao,Xiang Zhu,Kai-feng Chen,Xia-wen Liu,Ru-chao Jiang,Dan Wu,Jun-min Shi,Li-jun Dai,Jun-jun Huang
Benign prostatic hyperplasia (BPH) is a common disorder of the urinary system in aging men. 2-(1H-indol-3-yl)-N-[3-(4-(2-methoxyphenyl) piperazinyl) propyl] acetamide (HJZ-3), which is derived from naftopidil , exhibited 97.7- and 64.6-fold greater inhibitory effects for a 1D adrenoceptor than for a 1B - and a 1A -adrenoceptors in vitro, respectively. To investigate the therapeutic potential for treating BPH, we evaluated the pharmacological activity of HJZ-3. Specifically, we evaluated through estrogen/androgen-induced rat benign prostatic hyperplasia model in vivo. HJZ-3 effectively prevented the progression of rat prostatic hyperplasia by suppressing the increase in prostate index and reducing the quantitative analysis of the relative acinus volume, relative stroma, epithelial volume and epithelial thickness and expression of proliferating cell nuclear antigen and α -smooth muscle actin. HJZ-3 decreased α 1A - and α 1D -adrenoceptor protein expressions in prostate tissue. HJZ-3 is a good alternative for α 1A - and α 1D -adrenoceptor blocker. It may relax smooth muscle tone and relieve symptoms of BPH.
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PubMed
高影响因子
Frontiers in Pharmacology
·
2021
·
IF 5.811
Xiao Qing,Liu Qi-Meng,Jiang Ru-Chao,Chen Kai-Feng,Zhu Xiang,Ma Lei,Li Wei-Xi,He Fei,Huang Jun-Jun
Previous studies have indicated that α1D/1A antagonist naftopidil (NAF) suppresses prostate growth by decreasing cell proliferation without affecting apoptosis and prostate volume in benign prostatic hyperplasia (BPH). A NAF-derived α1D/1A antagonist 1- benzyl-N-(3-(4-(2-methoxyphenyl) piperazine-1-yl) propyl)-1H-indole-2- carboxamide (HJZ-12) has been reported from our laboratory, which exhibits high subtype-selectivity to both α1D- and α1A- AR (47.9- and 19.1- fold, respectively) with respect to a1B-AR in vitro. However, no further study was conducted. In the present study, a pharmacological evaluation of HJZ-12 in BPH was performed on an estrogen/androgen-induced rat BPH model and human BPH-1 cell line. In vivo, HJZ-12 exhibited better performance than NAF in preventing the progression of rat prostatic hyperplasia by not only decreasing prostate weight and proliferation (similar to NAF) but also, shrinking prostate volume and inducing prostate apoptosis (different from NAF). In vitro, HJZ-12 exhibited significant cell viability inhibition and apoptotic induction in BPH-1 cell line, without presenting cell anti-proliferation properties. Intriguingly, the role of HJZ-12 on cell viability and apoptosis was an α1-independent action. Furthermore, RNA-Seq analysis was applied to screen out six anti-apoptotic genes (Bcl-3, B-lymphoma Mo-MLV insertion region 1 [Bmi-1], ITGA2, FGFR3, RRS1, and SGK1). Amongst them, Bmi-1 was involved in the apoptotic induction of HJZ-12 in BPH-1. Overall, HJZ-12 played a remarkable role in preventing the progression of prostatic hyperplasia through α1-independent apoptotic induction, indicating that it will be a multi-target effective candidate for BPH treatment.
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PubMed
高影响因子
APPLIED ORGANOMETALLIC CHEMISTRY
·
2013
·Vol. 27
·期 3
·148-154
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IF 2.011
Li Qiang Wu
Nano n -propylsulfonated γ-Al 2 O 3 is easily prepared by the reaction of nano γ-Al 2 O 3 with 1,3-propanesultone. This reagent can be used as an efficient catalyst for the synthesis of spiro [indoline-3,4-pyrazolo[3,4- e ][1,4]thiazepine]diones in aqueous media. This new method consistently has the advantages of excellent yields and short reaction times. Further, the catalyst can be reused and recovered several times. Copyright © 2013 John Wiley & Sons, Ltd.
研究领域:
催化化学
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有机合成
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绿色化学
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纳米材料
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药物化学
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危险品化学品经营许可证（带存储）