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Brass corrosion – dezincification in hydrochloric acid 黄铜腐蚀 - 在盐酸中脱锌
Zeitschrift für Naturforschung B Pub Date : 2024-09-18 DOI: 10.1515/znb-2024-0052
Thomas Fickenscher, Jasmin Schröer, Olaf Reckeweg, Rainer Pöttgen
{"title":"Brass corrosion – dezincification in hydrochloric acid","authors":"Thomas Fickenscher, Jasmin Schröer, Olaf Reckeweg, Rainer Pöttgen","doi":"10.1515/znb-2024-0052","DOIUrl":"https://doi.org/10.1515/znb-2024-0052","url":null,"abstract":"Brass is among the utility metals for daily life. We present an easy corrosion experiment for demonstration in high school or first-year undergraduate studies. Almost any kind of brass can be dezincified in 1 <jats:sc>m</jats:sc> hydrochloric acid. Copper as the noble component remains as salmon pink coating on the workpiece while zinc and lead, the latter being a frequent minor alloying component of brass, are dissolved. Lead can be detected as PbS (<jats:italic>in-situ</jats:italic> generation of H<jats:sub>2</jats:sub>S from a splinter of FeS or as PbI<jats:sub>2</jats:sub> using KI). Zinc can be analyzed as Rinmann’s green or via a microchemical drop reaction with dithizone.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"22 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142268695","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
A base-promoted synthesis of 3,4-dihydro-2(1H)-quinazolinones 3,4-二氢-2(1H)-喹唑啉酮的碱促进合成法
Zeitschrift für Naturforschung B Pub Date : 2024-09-17 DOI: 10.1515/znb-2024-0045
Rui Xiong, Yadi Liu, Fang-Lin Zhang
{"title":"A base-promoted synthesis of 3,4-dihydro-2(1H)-quinazolinones","authors":"Rui Xiong, Yadi Liu, Fang-Lin Zhang","doi":"10.1515/znb-2024-0045","DOIUrl":"https://doi.org/10.1515/znb-2024-0045","url":null,"abstract":"A convenient and concise base-promoted synthesis of 3,4-dihydro-2(1<jats:italic>H</jats:italic>)-quinazolinones and multi-membered cyclic ureas has been developed. In the presence of <jats:italic>t</jats:italic>BuOK, a variety of 3,4-dihydro-2(1<jats:italic>H</jats:italic>)-quinazolinones as well as the <jats:italic>N</jats:italic>-arylated five-, six- and nine-membered cyclic ureas were readily synthesized under mild conditions. This method offers an alternative synthesis toolkit towards cyclic ureas.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"187 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142252203","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
Refrachor (F) – seventy-year-old tool and a contemporary observation: estimation of equilibrium compositions of 1H- and 2H-tautomers of tetrazole and 1,2,3-triazole and imine–amine composition of acetaldimine–vinylamine tautomerism Refrachor (F)--七十年前的工具和当代观察：估算四氮唑和 1,2,3 三氮唑的 1H 和 2H 同分异构体的平衡成分，以及乙酰二胺-乙烯基胺同分异构体的亚胺成分
Zeitschrift für Naturforschung B Pub Date : 2024-09-06 DOI: 10.1515/znb-2024-0031
Sanjeev Rachuru, Jagannadham Vandanapu
{"title":"Refrachor (F) – seventy-year-old tool and a contemporary observation: estimation of equilibrium compositions of 1H- and 2H-tautomers of tetrazole and 1,2,3-triazole and imine–amine composition of acetaldimine–vinylamine tautomerism","authors":"Sanjeev Rachuru, Jagannadham Vandanapu","doi":"10.1515/znb-2024-0031","DOIUrl":"https://doi.org/10.1515/znb-2024-0031","url":null,"abstract":"Refrachor with a symbol <jats:italic>F</jats:italic> a new physical constant proposed for the first time in 1951 by Joshi and Tuli defined by the equation <jats:italic>F</jats:italic> = –<jats:italic>P</jats:italic> log(<jats:inline-formula> <jats:alternatives> <m:math xmlns:m=\"http://www.w3.org/1998/Math/MathML\" overflow=\"scroll\"> <m:mrow> <m:msubsup> <m:mi>n</m:mi> <m:mi mathvariant=\"normal\">D</m:mi> <m:mn>20</m:mn> </m:msubsup> </m:mrow> </m:math> <jats:tex-math>${n}_{mathrm{D}}^{20}$</jats:tex-math> <jats:inline-graphic xmlns:xlink=\"http://www.w3.org/1999/xlink\" xlink:href=\"graphic/j_znb-2024-0031_ineq_001.png\"/> </jats:alternatives> </jats:inline-formula>–1) where <jats:italic>P</jats:italic> is the parachor and <jats:inline-formula> <jats:alternatives> <m:math xmlns:m=\"http://www.w3.org/1998/Math/MathML\" overflow=\"scroll\"> <m:mrow> <m:msubsup> <m:mi>n</m:mi> <m:mi mathvariant=\"normal\">D</m:mi> <m:mn>20</m:mn> </m:msubsup> </m:mrow> </m:math> <jats:tex-math>${n}_{mathrm{D}}^{20}$</jats:tex-math> <jats:inline-graphic xmlns:xlink=\"http://www.w3.org/1999/xlink\" xlink:href=\"graphic/j_znb-2024-0031_ineq_002.png\"/> </jats:alternatives> </jats:inline-formula> is the refractive index, is now used in our present work to calculate the percentage composition of 1<jats:italic>H</jats:italic>- and 2<jats:italic>H</jats:italic>-tautomers of tetrazole, 1,2,3-triazole, and imine-enamine tautomerism of acetaldimine in their equilibrium mixtures.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"78 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142189152","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
Comprehensive structural evaluation of the quaternary chalcogenide Ag2CdSnSe4 四元砷化镓 Ag2CdSnSe4 的全面结构评估
Zeitschrift für Naturforschung B Pub Date : 2024-09-06 DOI: 10.1515/znb-2024-0056
Kevin D. Profita, Eva M. Heppke
{"title":"Comprehensive structural evaluation of the quaternary chalcogenide Ag2CdSnSe4","authors":"Kevin D. Profita, Eva M. Heppke","doi":"10.1515/znb-2024-0056","DOIUrl":"https://doi.org/10.1515/znb-2024-0056","url":null,"abstract":"In this work, the synthesis of phase-pure Ag<jats:sub>2</jats:sub>CdSnSe<jats:sub>4</jats:sub> by a mechanochemical approach and a subsequent annealing step in an evacuated ampoule is presented. A detailed analysis of the X-ray diffraction pattern of the product revealed the presence of weak reflections, that cannot be observed in the previously proposed crystal structure with space group <jats:italic>Cmc</jats:italic>2<jats:sub>1</jats:sub>. Our structural investigation led to the assumption that Ag<jats:sub>2</jats:sub>CdSnSe<jats:sub>4</jats:sub> crystallizes in the wurtzstannite-type structure with space group <jats:italic>Pmn</jats:italic>2<jats:sub>1</jats:sub> (a structure type derived from <jats:italic>Cmc</jats:italic>2<jats:sub>1</jats:sub>). The aim of this contribution is to discuss the crystal structure of Ag<jats:sub>2</jats:sub>CdSnSe<jats:sub>4</jats:sub> using Rietveld refinements in space group <jats:italic>Cmc</jats:italic>2<jats:sub>1</jats:sub> and its possible subgroups.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"2 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142189151","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
Selectfluor-triggered C–H halogenations of enaminones with copper(I) halide (CuX) for the synthesis of 3-halochromones 用卤化铜(I)(CuX)对烯丙酮进行选择性氟引发的 C-H 卤化反应以合成 3-卤代色素
Zeitschrift für Naturforschung B Pub Date : 2024-09-03 DOI: 10.1515/znb-2024-0027
Tian Ma, Xiaoli Li, Jinwei Yuan
{"title":"Selectfluor-triggered C–H halogenations of enaminones with copper(I) halide (CuX) for the synthesis of 3-halochromones","authors":"Tian Ma, Xiaoli Li, Jinwei Yuan","doi":"10.1515/znb-2024-0027","DOIUrl":"https://doi.org/10.1515/znb-2024-0027","url":null,"abstract":"A practical and efficient synthetic route to construct a variety of 3-halochromones has been realized using Selectfluor reagent as a fluorine source, or Selectfluor-copper(I) halide combination as halogen source under mild conditions. This reaction proceeds via a sequence of electrophilic cation addition, and cyclization leading to a broad range of 3-halochromones in good to excellent yields in a short period of time. Additionally, the utilization of commercially available and cost-effective Selectfluor and copper(I) halide renders this system highly practical.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"10 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142189155","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
Structure, physical and 27Al NMR-spectroscopic properties of the equiatomic compounds of the type REAlRh (RE = Sm, Tb, Dy, Er, and Lu) REAlRh（RE = Sm、Tb、Dy、Er 和 Lu）型等原子化合物的结构、物理和 27Al NMR 光谱特性
Zeitschrift für Naturforschung B Pub Date : 2024-08-13 DOI: 10.1515/znb-2024-0053
Mathis Radzieowski, Elias C. J. Gießelmann, Stefan Engel, Oliver Janka
{"title":"Structure, physical and 27Al NMR-spectroscopic properties of the equiatomic compounds of the type REAlRh (RE = Sm, Tb, Dy, Er, and Lu)","authors":"Mathis Radzieowski, Elias C. J. Gießelmann, Stefan Engel, Oliver Janka","doi":"10.1515/znb-2024-0053","DOIUrl":"https://doi.org/10.1515/znb-2024-0053","url":null,"abstract":"Within the series of the equiatomic <jats:italic>RE</jats:italic>AlRh compounds, the representatives with <jats:italic>RE</jats:italic> = Y, La–Nd, Gd, Ho, Tm and Yb have been synthesized. The members with <jats:italic>RE</jats:italic> = Sm, Tb, Dy, Er and Lu, however, had not yet been reported. They have now been synthesized and structurally as well as magnetically and NMR-spectroscopically characterized. All members crystallize isostructurally in the orthorhombic TiNiSi type, similar to most of the known analogues. The evolution of their unit cell volumes exhibits the expected decrease due to the lanthanide contraction. While LuAlRh shows Pauli-paramagnetic behavior, SmAlRh, TbAlRh, DyAlRh, ErAlRh, and TmAlRh exhibit antiferromagnetic ground states with Néel temperatures between <jats:italic>T</jats:italic> <jats:sub>N</jats:sub> = 45 and 4 K. <jats:sup>27</jats:sup>Al MAS-NMR investigations have been conducted on YAlRh and LuAlRh. The results of quantum-chemical calculations support the conclusions drawn from the NMR-spectroscopic study and give information on the charge distribution in these intermetallic aluminum metallides.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"20 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-08-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142189154","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
Addition of diazonium salts to the coordinatively unsaturated core of a dinuclear organoruthenium complex 重氮盐加入二核有机钌络合物的配位不饱和核心
Zeitschrift für Naturforschung B Pub Date : 2024-07-17 DOI: 10.1515/znb-2024-0006
Tobias Mayer, Peter Mayer, Hans-Christian Böttcher
{"title":"Addition of diazonium salts to the coordinatively unsaturated core of a dinuclear organoruthenium complex","authors":"Tobias Mayer, Peter Mayer, Hans-Christian Böttcher","doi":"10.1515/znb-2024-0006","DOIUrl":"https://doi.org/10.1515/znb-2024-0006","url":null,"abstract":"The reaction of [Ru<jats:sub>2</jats:sub>(CO)<jats:sub>4</jats:sub>(<jats:italic>µ</jats:italic>-H)(<jats:italic>µ</jats:italic>-P<jats:italic>t</jats:italic>Bu<jats:sub>2</jats:sub>)(<jats:italic>µ</jats:italic>-Ph<jats:sub>2</jats:sub>PCH<jats:sub>2</jats:sub>PPh<jats:sub>2</jats:sub>)] (1) with the diazonium salts [PhN<jats:sub>2</jats:sub>]BF<jats:sub>4</jats:sub> and [<jats:italic>p</jats:italic>-BrC<jats:sub>6</jats:sub>H<jats:sub>4</jats:sub>N<jats:sub>2</jats:sub>]BF<jats:sub>4</jats:sub> in dichloromethane at <jats:italic>T</jats:italic> = 273 K was investigated. The oxidative addition afforded the products [Ru<jats:sub>2</jats:sub>(CO)<jats:sub>4</jats:sub>(<jats:italic>µ</jats:italic>-H)(<jats:italic>µ</jats:italic>-P<jats:italic>t</jats:italic>Bu<jats:sub>2</jats:sub>)(<jats:italic>µ</jats:italic>-Ph<jats:sub>2</jats:sub>PCH<jats:sub>2</jats:sub>PPh<jats:sub>2</jats:sub>)(<jats:italic>µ</jats:italic>-N<jats:sub>2</jats:sub>Ph)]BF<jats:sub>4</jats:sub> (2a) and [Ru<jats:sub>2</jats:sub>(CO)<jats:sub>4</jats:sub>(<jats:italic>µ</jats:italic>-H)(<jats:italic>µ</jats:italic>-P<jats:italic>t</jats:italic>Bu<jats:sub>2</jats:sub>)(<jats:italic>µ</jats:italic>-Ph<jats:sub>2</jats:sub>PCH<jats:sub>2</jats:sub>PPh<jats:sub>2</jats:sub>)(<jats:italic>µ</jats:italic>-N<jats:sub>2</jats:sub>C<jats:sub>6</jats:sub>H<jats:sub>4</jats:sub>-<jats:italic>p</jats:italic>-Br)]BF<jats:sub>4</jats:sub> (2b) in good yields. The products have been characterized by NMR and IR spectroscopy and mass spectrometry and the molecular structure of 2a has been determined by a single-crystal X-ray diffraction analysis (monoclinic, space group <jats:italic>P</jats:italic>2<jats:sub>1</jats:sub>/<jats:italic>m</jats:italic>, <jats:italic>Z</jats:italic> = 2).","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"52 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141740489","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
Obituary F. J. DiSalvo–in memoriam on the occasion of his 80th birthday 讣告 F.J.-迪萨瓦--在他 80 岁生日之际对他的纪念
Zeitschrift für Naturforschung B Pub Date : 2024-07-15 DOI: 10.1515/znb-2024-0018
Olaf Reckeweg
{"title":"Obituary F. J. DiSalvo–in memoriam on the occasion of his 80th birthday","authors":"Olaf Reckeweg","doi":"10.1515/znb-2024-0018","DOIUrl":"https://doi.org/10.1515/znb-2024-0018","url":null,"abstract":"","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"52 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141647254","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
About compounds containing 16-valence electron anions [XYZ] n− – a brief and current overview including some properties of such anions 关于含有 16 价电子阴离子 [XYZ] n- 的化合物--简要和最新概述，包括此类阴离子的一些特性
Zeitschrift für Naturforschung B Pub Date : 2024-07-13 DOI: 10.1515/znb-2024-0017
Olaf Reckeweg
{"title":"About compounds containing 16-valence electron anions [XYZ] n− – a brief and current overview including some properties of such anions","authors":"Olaf Reckeweg","doi":"10.1515/znb-2024-0017","DOIUrl":"https://doi.org/10.1515/znb-2024-0017","url":null,"abstract":"A short overview covering compounds containing 16-valence electron anions [XYZ]<jats:sup> <jats:italic>n</jats:italic>−</jats:sup> (fulminate: [CNO]<jats:sup>−</jats:sup>, cyanate: [OCN]<jats:sup>−</jats:sup>, azide: [NNN]<jats:sup>−</jats:sup>, carbodiimide: [NCN]<jats:sup>2−</jats:sup>, dinitridoborate: [NBN]<jats:sup>3−</jats:sup>, carbidonitridocarbonate: [CCN]<jats:sup>3−</jats:sup>, dicarbidocarbonate: [CCC]<jats:sup>4−</jats:sup>, carbidonitridoborate: [CBN]<jats:sup>4−</jats:sup>, dicarbidoborate [CBC]<jats:sup>5−</jats:sup>) is given, including some of their structural properties, e.g., the ranges of the bond lengths, the bond angles and volume increments of the respective anion (either taken from literature or calculated from selected experimental data). The force constants, the experimentally determined bond lengths and angles are given for one representative compound per anion. The numbers presented here are briefly compared and discussed.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"42 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141611571","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
Synthesis, biological assessment and molecular docking study of new sulfur-linked 1,2,4-triazole and 1,2,3-triazole hybrid derivatives as potential DNA gyrase inhibitors 作为潜在 DNA 回旋酶抑制剂的新型硫连 1,2,4- 三唑和 1,2,3- 三唑混合衍生物的合成、生物学评估和分子对接研究
Zeitschrift für Naturforschung B Pub Date : 2024-07-05 DOI: 10.1515/znb-2024-0012
Mohamed El-Naggar, Kamrul Hasan, Monther Khanfar, Ihsan A. Shehadi, Raafat El-Awady, Asmaa Negm El-Dein, Aboubakr H. Abdelmonsef, Raed A. Al-Qawasmeh
{"title":"Synthesis, biological assessment and molecular docking study of new sulfur-linked 1,2,4-triazole and 1,2,3-triazole hybrid derivatives as potential DNA gyrase inhibitors","authors":"Mohamed El-Naggar, Kamrul Hasan, Monther Khanfar, Ihsan A. Shehadi, Raafat El-Awady, Asmaa Negm El-Dein, Aboubakr H. Abdelmonsef, Raed A. Al-Qawasmeh","doi":"10.1515/znb-2024-0012","DOIUrl":"https://doi.org/10.1515/znb-2024-0012","url":null,"abstract":"A series of new pyridine-1,2,4-triazole-tagged 1,2,3-triazole hybrid molecules were obtained. The new compounds were synthesized via click chemistry of 1,2,4-triazole-3-thiopropargyl compounds and various azides. All compounds were fully characterized through their spectroscopic analyses. Furthermore, cytotoxic activity was assessed by screening against three cancer cell lines including human colon carcinoma (HCT116), human cervix carcinoma (HeLa) and human breast adenocarcinoma (MCF7). In addition, antimicrobial assessment against one gram-positive (<jats:italic>Staphylococcus aureus</jats:italic> ATCC 29,213), two Gram-negative bacteria (<jats:italic>Sarcina lutea</jats:italic> and <jats:italic>Escherichia coli</jats:italic> ATCC 25,922) and one fungal (<jats:italic>Candida albicans</jats:italic> NRRL Y–477) microorganism‏.‏ Molecular docking studies of the synthesized compounds against DNA gyrase were used to identify their binding ability to the target enzyme. The best docked molecules unveiled binding affinities to the target ranging from −9.5 to −8.8 kcal mol<jats:sup>−1</jats:sup>. The adsorption, distribution, metabolic, excretion, and toxicity (ADME/Tox) and drug-likeness analyses of the best docked compounds were evaluated using in silico techniques. Based on <jats:italic>in vitro</jats:italic> and in silico findings, these pyridine-1,2,4-triazole-tagged 1,2,3-triazole hybrid molecules may be helpful in designing potential antimicrobial drug candidates.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"42 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141575854","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
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