Journal of Chemical Research-s最新文献

Enhanced photocatalytic degradation efficiency of ciprofloxacin by CuAl layered double hydroxide materials CuAl层状双氧根材料提高环丙沙星光催化降解效率

Journal of Chemical Research-s Pub Date : 2025-05-01 DOI: 10.1177/17475198251344773

Van Nhuong Vu, Linh Thi My Hoang, Thi Ha Thanh Pham, Thi Kim Ngan Tran

{"title":"Enhanced photocatalytic degradation efficiency of ciprofloxacin by CuAl layered double hydroxide materials","authors":"Van Nhuong Vu, Linh Thi My Hoang, Thi Ha Thanh Pham, Thi Kim Ngan Tran","doi":"10.1177/17475198251344773","DOIUrl":"https://doi.org/10.1177/17475198251344773","url":null,"abstract":"Sets of nCuAl-LDH layered double hydroxide samples were successfully synthesized by the co-precipitation method, using precursors such as Al(NO 3 ) 3 , Cu(NO 3 ) 2 , and Na 2 CO 3 salts to provide <mml:math xmlns:mml=\"http://www.w3.org/1998/Math/MathML\" display=\"inline\" overflow=\"scroll\"> <mml:mrow> <mml:mi>C</mml:mi> <mml:msubsup> <mml:mi>O</mml:mi> <mml:mn>3</mml:mn> <mml:mrow> <mml:mn>2</mml:mn> <mml:mo>−</mml:mo> </mml:mrow> </mml:msubsup> </mml:mrow> </mml:math> ion in the interlayers. The synthesized material samples were characterized by modern physical analysis methods: XRD patterns, SEM images, EDX spectra, UV-Vis DRS spectra. The results of the characterization analysis showed that the 2CuAl-LDH, 3-CuAl-LDH samples had a lamellar structure similar to hydrotalcite. The synthesized samples with high Cu:Al molar ratio (4-CuAl-LDH, 5-CuAl-LDH, 6-CuAl-LDH) had a strong decrease in the layered double structure. The CuAl-LDH material samples had a strong shift to the visible light region, the band gap energy sharply reduced from 3.52 eV (MgAlH) to 1.44 eV (3CuAl-LDH) and 0.95 eV (2CuAl-LDH). The results of the investigation on the photocatalytic degradation of ciprofloxacin showed that two material samples 2CuAl-LDH and 3CuAl-LDH had the best CIP degradation ability. The CIP degradation efficiency with concentrations of 10, 25, 40, 50 ppm reached 93.3, 92.2, 90.2, 89.2% using a 30 W LED light source. In addition, the optimal environmental for CIP degradation was the initial pH value of the 50 ppm CIP solution (pH value as 5.8).","PeriodicalId":15318,"journal":{"name":"Journal of Chemical Research-s","volume":"49 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147333597","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 2

Identification of lead small molecules for the design and development of potent severe acute respiratory syndrome coronavirus 2 main protease inhibitors 鉴定铅小分子用于设计研制强效的严重急性呼吸综合征冠状病毒2主要蛋白酶抑制剂

Journal of Chemical Research-s Pub Date : 2025-03-01 DOI: 10.1177/17475198251326083

Elvis Awuni

{"title":"Identification of lead small molecules for the design and development of potent severe acute respiratory syndrome coronavirus 2 main protease inhibitors","authors":"Elvis Awuni","doi":"10.1177/17475198251326083","DOIUrl":"https://doi.org/10.1177/17475198251326083","url":null,"abstract":"The repercussions of the COVID-19 pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) are catastrophic, and the world has yet to achieve full recovery. Several inhibitors targeting SARS-CoV-2 main protease are experiencing diminished efficacy owing to resistance-inducing mutations. The current situation implies that the quest to find potent and resilient SARS-CoV-2 main protease drugs to overcome resistance must be a continuous effort. Here, multiple receptor virtual screening and molecular dynamics (MD) simulation techniques were employed to identify novel binders from an integrated small-molecule database as leads for the discovery, design, and development of antivirals immune to resistance by SARS-CoV-2 main protease. The small-molecule database was initially screened separately against five SARS-CoV-2 main protease structures with different substrate-binding site conformations using the GOLD program, after which the fitness score of a control compound was used as the cutoff to create a shortlist of potential hits in each case. Then, 21 compounds at the intersection of all five shortlists were selected as virtual screening hits. The hits were subjected to MD simulations, identifying four novel compounds capable of remaining bound to SARS-CoV-2 main protease for up to 100 ns. Analysis of the mode of binding and interactions between each of the four compounds and SARS-CoV-2 main protease revealed that the compounds fit better into the conserved subpockets of the substrate-binding site than the control and interact with important amino acid residues. Conjointly, MD simulations, binding energy, and toxicity analysis results further demonstrated that the compounds are promising leads for the discovery, design, and development of potent drugs to augment the fight against SARS-CoV-2 main protease resistance.","PeriodicalId":15318,"journal":{"name":"Journal of Chemical Research-s","volume":"49 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2025-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147330486","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis of a new diarylhydrazone derivative and an evaluation of its in vitro biofilm inhibition and quorum sensing disruption along with a molecular docking study 一种新型二芳基腙衍生物的合成及其体外生物膜抑制和群体感应干扰的评价及分子对接研究

Journal of Chemical Research-s Pub Date : 2023-07-01 DOI: 10.1177/17475198231184603

S. Boudiba, A. N. Tamfu, K. Hanini, I. Selatnia, L. Boudiba, Ibtissam Saouli, P. Mosset, O. Ceylan, D. Egbe, A. Sid, R. Dinică

{"title":"Synthesis of a new diarylhydrazone derivative and an evaluation of its in vitro biofilm inhibition and quorum sensing disruption along with a molecular docking study","authors":"S. Boudiba, A. N. Tamfu, K. Hanini, I. Selatnia, L. Boudiba, Ibtissam Saouli, P. Mosset, O. Ceylan, D. Egbe, A. Sid, R. Dinică","doi":"10.1177/17475198231184603","DOIUrl":"https://doi.org/10.1177/17475198231184603","url":null,"abstract":"Molecules that target quorum sensing and biofilm inhibition are useful antimicrobials. In this regard, a new diarylhydrazone was synthesized and characterized using infrared, high-resolution mass spectrometry and nuclear magnetic resonance experiments as N-[( E)-4-bromo-2,5-diheptyloxybenzylideneamino]-2,4-dinitroaniline (BHBANA). Minimal inhibitory concentrations (MICs) vary from 0.625 to 2.5 mg mL−1. This compound was screened in vitro for its inhibition of quorum sensing–mediated violacein production by Chromobacterium violaceum CV12472 at MIC and sub-MIC and showed percentage inhibition varying from 100% at MIC to 5.7% ± 0.2% at MIC/32. Against Chromobacterium violaceum CV026, BHBANA exhibited anti-quorum-sensing zone diameters of 10.5 ± 0.3 mm and 7.0 ± 0.1 mm at MIC and MIC/2, respectively. BHBANA shows concentration-dependent inhibition of swarming motility on flagellated Pseudomonas aeruginosa PA01 with the highest % inhibition of 28.30% ± 0.50% μg mL−1 at MIC. The product inhibits biofilm formation, with the best biofilm inhibition being observed against Staphylococcus aureus varying from 72.24% ± 0.86% (MIC) to 09.82% ± 0.10% (MIC/8). Molecular docking studies carried out utilizing the Schrodinger software identified interactions between BHBANA and different receptor compartments of Chromobacterium violaceum, which can block pathogenic gene expression. The results suggest the potential of BHBANA in reducing microbial virulence.","PeriodicalId":15318,"journal":{"name":"Journal of Chemical Research-s","volume":"7 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"89212038","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 2

A study of mono-, di- and tri-tosylated amines: An unexpected sulfonamide 单、二、三甲基化胺的研究:一种意想不到的磺胺

Journal of Chemical Research-s Pub Date : 2023-07-01 DOI: 10.1177/17475198231194866

M. Plater, W. Harrison

引用次数: 0

A thermoregulated phase-transfer ruthenium nanocatalyst for the atmospheric hydrogenation of α,β-unsaturated ketones 用于α，β-不饱和酮常压加氢的热调节相转移钌纳米催化剂

Journal of Chemical Research-s Pub Date : 2023-07-01 DOI: 10.1177/17475198231189838

Bin Gao, Yanhua Wang

引用次数: 0

Ni(II) and Pd(II) complexes bearing novel chiral bis(β-ketoamino) ligand and their catalytic activity toward copolymerization of norbornene and polar norbornene derivatives 新型手性双(β-酮氨基)配体Ni(II)和Pd(II)配合物对降冰片烯及其极性降冰片烯衍生物共聚的催化活性

Journal of Chemical Research-s Pub Date : 2023-07-01 DOI: 10.1177/17475198231187525

Wanyun Liu, Ping Huo, Lin Yuan, Bowen Zhao, Junying Ge

引用次数: 0

One-pot, simple, and facile synthesis of 4-(3-benzylbenzo[d]thiazol-2(3H)-ylidene)-cyclohexa-2,5-dien-1-one derivatives via a novel three-component reaction 一锅简易合成4-(3-苄基苯并[d]噻唑-2(3H)-酰基)-环己-2,5-二烯-1- 1衍生物

Journal of Chemical Research-s Pub Date : 2023-07-01 DOI: 10.1177/17475198231185553

M. Nassiri

引用次数: 0

An effective calix[4]arene-based adsorbent for tetracycline removal from water systems: Kinetic, isotherm, and thermodynamic studies 一种有效的杯[4]芳烃基吸附剂去除水中四环素:动力学、等温线和热力学研究

Journal of Chemical Research-s Pub Date : 2023-07-01 DOI: 10.1177/17475198231187600

Waad M Al-Tawarh, R. Altarawneh, Salah A Al-Trawneh, S. Alshahateet, Samir A. Al-taweel

{"title":"An effective calix[4]arene-based adsorbent for tetracycline removal from water systems: Kinetic, isotherm, and thermodynamic studies","authors":"Waad M Al-Tawarh, R. Altarawneh, Salah A Al-Trawneh, S. Alshahateet, Samir A. Al-taweel","doi":"10.1177/17475198231187600","DOIUrl":"https://doi.org/10.1177/17475198231187600","url":null,"abstract":"This study aims to investigate the adsorption characteristics of tetracycline from polluted waters using C-4-hydroxyphenylcalix[4]resorcinarene as an adsorbent. The adsorptive efficiency of C-4-hydroxyphenylcalix[4]resorcinarene is optimized by adjusting various operational parameters such as the adsorbent dosage, the pH, the contact time, the temperature, and the initial adsorbate concentration. The most efficient remediation is 96% at 10.0 mg/L tetracycline as the initial concentration, 0.05 mg/L C-4-hydroxyphenylcalix[4]resorcinarene, a contact time of 30 min, pH 5.6, and ambient temperature. The adsorption ability of C-4-hydroxyphenylcalix[4]resorcinarene toward tetracycline is also investigated in water with different characteristics, including solutions with and without the addition of background salts. The results show that C-4-hydroxyphenylcalix[4]resorcinarene can effectively remove tetracycline from aqueous solutions with an adsorption capacity of ca. 36.9 mg/g. The study also finds that the removal process followed pseudo-second order kinetics and Freundlich isotherm models. Moreover, the adsorption is spontaneous and exothermic, suggesting a thermodynamically favorable chemisorption process. In addition, the optimized method is successfully applied to remove tetracycline from various real natural water systems.","PeriodicalId":15318,"journal":{"name":"Journal of Chemical Research-s","volume":"124 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76174297","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Preparation of ZrO2/Na-β and ZrO2/H-β catalysts and their catalytic performance for the Meerwein–Ponndorf–Verley reaction of cyclohexanone and isopropanol ZrO2/Na-β和ZrO2/H-β催化剂的制备及其对环己酮与异丙醇Meerwein-Ponndorf-Verley反应的催化性能

Journal of Chemical Research-s Pub Date : 2023-07-01 DOI: 10.1177/17475198231185064

Lin-hui Dong, Fan-fei Meng, Li-ye Liu, Jun Qiu

{"title":"Preparation of ZrO2/Na-β and ZrO2/H-β catalysts and their catalytic performance for the Meerwein–Ponndorf–Verley reaction of cyclohexanone and isopropanol","authors":"Lin-hui Dong, Fan-fei Meng, Li-ye Liu, Jun Qiu","doi":"10.1177/17475198231185064","DOIUrl":"https://doi.org/10.1177/17475198231185064","url":null,"abstract":"ZrO2/Na-β and ZrO2/H-β catalysts are prepared by the reflux impregnation method and are applied to the Meerwein–Ponndorf–Verley reduction of cyclohexanone and isopropanol. The catalysts are characterized by X-ray diffraction, scanning electron microscopy-energy dispersive spectrum, temperature-programmed desorption of ammonia, N2 isothermal adsorption and desorption, and inductively coupled plasma mass spectrometry. The products are identified by gas chromatography‒mass spectrometry and analyzed by gas chromatography. The experimental results showed that ZrO2/H-β exhibits higher catalytic activity for the above Meerwein–Ponndorf–Verley reduction because ZrO2/H-β has both Zr4+ and Al3+ ion acid centers, which provide the moderately strong acid needed for the reaction. Under optimized conditions, ZrO2/H-β(6) is used as the catalyst, and the conversion rate of cyclohexanone was 92.0% as determined by the area-normalized calculation based on cyclohexanone. The catalyst can be regenerated by programmed heating calcination. The conversion rate of cyclohexanone decreased to 79.4% after five recycling cycles, and its service life needs further study to be improved.","PeriodicalId":15318,"journal":{"name":"Journal of Chemical Research-s","volume":"230 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72432034","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Lignans and some other non-alkaloid compounds from the stem bark of Zanthoxylum rhetsa and their biological activities 花椒茎皮中木脂素等非生物碱类化合物及其生物活性研究

Journal of Chemical Research-s Pub Date : 2023-07-01 DOI: 10.1177/17475198231185704

T. T. Tuyen, Pham Cao Bach, Do Huu Nghi, Pham Minh Quan, P. H. Hong Minh, N. H. Hong Van

{"title":"Lignans and some other non-alkaloid compounds from the stem bark of Zanthoxylum rhetsa and their biological activities","authors":"T. T. Tuyen, Pham Cao Bach, Do Huu Nghi, Pham Minh Quan, P. H. Hong Minh, N. H. Hong Van","doi":"10.1177/17475198231185704","DOIUrl":"https://doi.org/10.1177/17475198231185704","url":null,"abstract":"Four lignans, asarinin (1), horsfieldin (2), 5-(4-(3,4,5-trimethoxyphenyl)hexahydrofuro[3,4-c]furan-1-yl)benzo[d][1,3]dioxole (3), 5-(4-(3,5-dimethoxyphenyl)hexahydrofuro[3,4-c]furan-1-yl)benzo[d][1,3]dioxole (4), and four non-alkaloid compounds, piperonylic acid (5), hesperidin (6), syringin (7), and β-sitosterol (8) were isolated from the stem bark of Zanthoxylum rhetsa grown in Vietnam. Their chemical structures were elucidated by spectroscopic analysis and compared with the references. Except for compound 6, all the remaining compounds (1–5, 7, and 8) were isolated for the first time from Z. rhetsa. The isolated compounds were tested for their cytotoxic activity against three human cancer cell lines, LU-1, Hep-G2, and KB. Compound 5 showed moderate cytotoxic activity against all three cell lines with IC50 values ranging from 48.13 to 49.06 µg mL−1. Notably, compound 6 demonstrated selective cytotoxicity against LU-1, Hep-G2, and KB cancer cell lines (IC50 66.48–67.41 µg mL−1) while non-toxic toward normal Vero cell. Compound 6 also exhibited its ability to inhibit main protease (Mpro) enzyme in vitro with an IC50 value of 55.49 µg mL−1 and in silico with the binding affinity toward targeted protein of −14.36 kcal mol−1.","PeriodicalId":15318,"journal":{"name":"Journal of Chemical Research-s","volume":"8 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84148447","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0