Thomas Fickenscher, Jasmin Schröer, Olaf Reckeweg, Rainer Pöttgen
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 m 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 (in-situ generation of H2S from a splinter of FeS or as PbI2 using KI). Zinc can be analyzed as Rinmann’s green or via a microchemical drop reaction with dithizone.
{"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}
A convenient and concise base-promoted synthesis of 3,4-dihydro-2(1H)-quinazolinones and multi-membered cyclic ureas has been developed. In the presence of tBuOK, a variety of 3,4-dihydro-2(1H)-quinazolinones as well as the N-arylated five-, six- and nine-membered cyclic ureas were readily synthesized under mild conditions. This method offers an alternative synthesis toolkit towards cyclic ureas.
{"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}
Refrachor with a symbol F a new physical constant proposed for the first time in 1951 by Joshi and Tuli defined by the equation F = –P log(nD20${n}_{mathrm{D}}^{20}$–1) where P is the parachor and nD20${n}_{mathrm{D}}^{20}$ is the refractive index, is now used in our present work to calculate the percentage composition of 1H- and 2H-tautomers of tetrazole, 1,2,3-triazole, and imine-enamine tautomerism of acetaldimine in their equilibrium mixtures.
F = -P log( n D 20 ${n}_{mathrm{D}}^{20}$ -1) 式中，P 为抛物线，n D 20 ${n}_{mathrm{D}}^{20}$ 为折射率、在我们现在的工作中，我们用它来计算四氮唑、1,2,3-三氮唑的 1H 和 2H 同分异构体以及乙酰二胺的亚胺-烯胺同分异构体在它们的平衡混合物中的百分比组成。
{"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}
In this work, the synthesis of phase-pure Ag2CdSnSe4 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 Cmc21. Our structural investigation led to the assumption that Ag2CdSnSe4 crystallizes in the wurtzstannite-type structure with space group Pmn21 (a structure type derived from Cmc21). The aim of this contribution is to discuss the crystal structure of Ag2CdSnSe4 using Rietveld refinements in space group Cmc21 and its possible subgroups.
{"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}
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.
{"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}
Mathis Radzieowski, Elias C. J. Gießelmann, Stefan Engel, Oliver Janka
Within the series of the equiatomic REAlRh compounds, the representatives with RE = Y, La–Nd, Gd, Ho, Tm and Yb have been synthesized. The members with RE = 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 TN = 45 and 4 K. 27Al 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.
在等原子 REAlRh 化合物系列中，已经合成了 RE = Y、La-Nd、Gd、Ho、Tm 和 Yb 的代表化合物。然而，RE = Sm、Tb、Dy、Er 和 Lu 的成员尚未见报道。现在，我们已经合成了它们，并对其结构、磁性和核磁共振谱进行了表征。所有成员的晶体结构均为正交钛镍硅型，与大多数已知的类似物相似。由于镧系元素的收缩，它们的单胞体积的变化呈现出预期的下降。LuAlRh 显示出保利顺磁行为，而 SmAlRh、TbAlRh、DyAlRh、ErAlRh 和 TmAlRh 则显示出反铁磁基态，内耳温度介于 T N = 45 和 4 K 之间。量子化学计算的结果支持核磁共振光谱研究得出的结论，并提供了这些金属间铝金属化物中电荷分布的信息。
{"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}
Tobias Mayer, Peter Mayer, Hans-Christian Böttcher
The reaction of [Ru2(CO)4(µ-H)(µ-PtBu2)(µ-Ph2PCH2PPh2)] (1) with the diazonium salts [PhN2]BF4 and [p-BrC6H4N2]BF4 in dichloromethane at T = 273 K was investigated. The oxidative addition afforded the products [Ru2(CO)4(µ-H)(µ-PtBu2)(µ-Ph2PCH2PPh2)(µ-N2Ph)]BF4 (2a) and [Ru2(CO)4(µ-H)(µ-PtBu2)(µ-Ph2PCH2PPh2)(µ-N2C6H4-p-Br)]BF4 (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 P21/m, Z = 2).
研究了[Ru2(CO)4(µ-H)(µ-PtBu2)(µ-Ph2PCH2PPh2)](1)与重氮盐[PhN2]BF4 和[p-BrC6H4N2]BF4 在二氯甲烷中于 T = 273 K 的反应。氧化加成产物为[Ru2(CO)4(µ-H)(µ-PtBu2)(µ-Ph2PCH2PPh2)(µ-N2Ph)]BF4（2a）和[Ru2(CO)4(µ-H)(µ-PtBu2)(µ-Ph2PCH2PPh2)(µ-N2C6H4-p-Br)]BF4（2b），收率良好。这些产物已通过核磁共振、红外光谱和质谱法进行了表征，2a 的分子结构已通过单晶 X 射线衍射分析（单斜，空间群 P21/m，Z = 2）确定。
{"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}
{"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}
A short overview covering compounds containing 16-valence electron anions [XYZ]n− (fulminate: [CNO]−, cyanate: [OCN]−, azide: [NNN]−, carbodiimide: [NCN]2−, dinitridoborate: [NBN]3−, carbidonitridocarbonate: [CCN]3−, dicarbidocarbonate: [CCC]4−, carbidonitridoborate: [CBN]4−, dicarbidoborate [CBC]5−) 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.
{"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}
Mohamed El-Naggar, Kamrul Hasan, Monther Khanfar, Ihsan A. Shehadi, Raafat El-Awady, Asmaa Negm El-Dein, Aboubakr H. Abdelmonsef, Raed A. Al-Qawasmeh
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 (Staphylococcus aureus ATCC 29,213), two Gram-negative bacteria (Sarcina lutea and Escherichia coli ATCC 25,922) and one fungal (Candida albicans 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−1. 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 in vitro 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.
{"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}
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