Abstract Six new triorganotin(iv) complexes of 3-aminobenzoic acid-based Schiff bases, 3-(R′-CH═N)C6H4COOSnR3 (1–6) (R′, R = 5-Br-2-HOC6H3, Ph (1); 3,5-Br2-2-HOC6H2, Ph (2); 4-NEt2-2-HOC6H3, Cy (3); 3-OCH3-2-HOC6H3, Cy (4); 2-HOC10H6, Ph (5); 2-HOC10H6, Cy (6)), have been synthesized by the one-pot reaction of equimolar 3-aminobenzoic acid, substituted 2-hydroxybenzaldehyde (or 2-hydroxy-1-naphthaldehyde) and triorganotin(iv) hydroxide, and characterized by elemental analysis, FT-IR, NMR spectroscopy, and X-ray single crystal diffraction. The NMR data (1 J(119Sn–13C) and 119Sn chemical shifts) suggested that these organotin(iv) complexes are all four-coordinated in CDCl3 solution. In the crystalline state, the tin atoms in 1–4 and 6 are four-coordinated and possess a distorted tetrahedral geometry. Complex 5 with crystalline solvents (CH3OH and CHCl3) exhibits a zigzag chain, and the five coordination atoms on the tin atom are arranged in a trigonal bipyramidal geometry in which the carboxylate oxygen atom and the phenolic oxygen atom of the adjacent ligand occupy the axial positions. In all complexes, the 3-(arylmethyleneamino)benzoate ligands are coordinated with tin atoms in monodentate mode. Their cytotoxicity against two human cancer cell lines (A549 and HeLa), UV-Vis, and fluorescence have been determined, and the results reveal that complexes 1–6 have higher cytotoxicity than cisplatin and may be explored for potential blue luminescent materials.
{"title":"Synthesis, structure, and cytotoxicity of some triorganotin(iv) complexes of 3-aminobenzoic acid-based Schiff bases","authors":"Ruili Wang, Jing Zhang, Gaoyu Cui, Laijin Tian","doi":"10.1515/mgmc-2022-0026","DOIUrl":"https://doi.org/10.1515/mgmc-2022-0026","url":null,"abstract":"Abstract Six new triorganotin(iv) complexes of 3-aminobenzoic acid-based Schiff bases, 3-(R′-CH═N)C6H4COOSnR3 (1–6) (R′, R = 5-Br-2-HOC6H3, Ph (1); 3,5-Br2-2-HOC6H2, Ph (2); 4-NEt2-2-HOC6H3, Cy (3); 3-OCH3-2-HOC6H3, Cy (4); 2-HOC10H6, Ph (5); 2-HOC10H6, Cy (6)), have been synthesized by the one-pot reaction of equimolar 3-aminobenzoic acid, substituted 2-hydroxybenzaldehyde (or 2-hydroxy-1-naphthaldehyde) and triorganotin(iv) hydroxide, and characterized by elemental analysis, FT-IR, NMR spectroscopy, and X-ray single crystal diffraction. The NMR data (1 J(119Sn–13C) and 119Sn chemical shifts) suggested that these organotin(iv) complexes are all four-coordinated in CDCl3 solution. In the crystalline state, the tin atoms in 1–4 and 6 are four-coordinated and possess a distorted tetrahedral geometry. Complex 5 with crystalline solvents (CH3OH and CHCl3) exhibits a zigzag chain, and the five coordination atoms on the tin atom are arranged in a trigonal bipyramidal geometry in which the carboxylate oxygen atom and the phenolic oxygen atom of the adjacent ligand occupy the axial positions. In all complexes, the 3-(arylmethyleneamino)benzoate ligands are coordinated with tin atoms in monodentate mode. Their cytotoxicity against two human cancer cell lines (A549 and HeLa), UV-Vis, and fluorescence have been determined, and the results reveal that complexes 1–6 have higher cytotoxicity than cisplatin and may be explored for potential blue luminescent materials.","PeriodicalId":48891,"journal":{"name":"Main Group Metal Chemistry","volume":"45 1","pages":"242 - 254"},"PeriodicalIF":1.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46993444","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Seyyed Mohammad Ebrahimi, J. Safaei‐Ghomi, Mohammaed Abdulridha Mutashar
Abstract tHPA-ZSM-5 nanocomposites as a superior catalyst have been applied for the synthesis of indenopyrazolones through a three-component reaction of phenylhydrazine, benzaldehydes, and indan-1,2,3-trione at room temperature in acetonitrile. The zeolite catalyst has been characterized by X-ray diffraction, field emission scanning electronic microscopes, Fourier transform infrared, energy-dispersive spectroscopy, thermogravimetric analysis, and N2-adsorption analysis. The various aromatic aldehydes can be utilized in this method. These results showed that aromatic aldehydes with electron-withdrawing groups reacted faster than aldehydes with electron-releasing groups. Experimental simplicity, excellent yields in short reaction times, reusability of the catalyst, and low catalyst loading are some of the substantial features of this method. Graphical abstract
{"title":"HPA-ZSM-5 nanocomposite as high-performance catalyst for the synthesis of indenopyrazolones","authors":"Seyyed Mohammad Ebrahimi, J. Safaei‐Ghomi, Mohammaed Abdulridha Mutashar","doi":"10.1515/mgmc-2022-0003","DOIUrl":"https://doi.org/10.1515/mgmc-2022-0003","url":null,"abstract":"Abstract tHPA-ZSM-5 nanocomposites as a superior catalyst have been applied for the synthesis of indenopyrazolones through a three-component reaction of phenylhydrazine, benzaldehydes, and indan-1,2,3-trione at room temperature in acetonitrile. The zeolite catalyst has been characterized by X-ray diffraction, field emission scanning electronic microscopes, Fourier transform infrared, energy-dispersive spectroscopy, thermogravimetric analysis, and N2-adsorption analysis. The various aromatic aldehydes can be utilized in this method. These results showed that aromatic aldehydes with electron-withdrawing groups reacted faster than aldehydes with electron-releasing groups. Experimental simplicity, excellent yields in short reaction times, reusability of the catalyst, and low catalyst loading are some of the substantial features of this method. Graphical abstract","PeriodicalId":48891,"journal":{"name":"Main Group Metal Chemistry","volume":"45 1","pages":"57 - 73"},"PeriodicalIF":1.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47442728","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Farhana Yasmeen, Muhammad Imran, S. Akhter, Yasir Ali, Kashif Ali
Abstract A molecular graph consists of bonds and atoms, where atoms are present as vertices and bonds are present as edges. We can look at topological invariants and topological polynomials that furnish bioactivity and physio-chemical features for such molecular graphs. These topological invariants, which are usually known as graph invariants, are numerical quantities that relate to the topology of a molecular graph. Let m pq (X) be the number of edges in X such that (ζ a , ζ b ) = (p, q), where ζ a (or ζ b ) present the degree of a (or b). The M-polynomial for X can be determined with the help of relation M ( X ; x , y ) = ∑ p ≤ q m p q ( X ) x p y q M(X;x,y)={sum }_{ple q}{m}_{pq}(X){x}^{p}{y}^{q} . In this study, we calculate the M-polynomial, forgotten polynomial, sigma polynomial and Sombor polynomial, and different topological invariants of critical importance, referred to as first, second, modified and augmented Zagreb, inverse and general Randić, harmonic, symmetric division; forgotten and inverse invariants of chemical structures namely metal-organic networks (transition metal-tetra cyano benzene organic network) and cuboctahedral bimetallic networks (MOPs) are retrieved using a generic topological polynomial approach. We also draw the two-dimensional graphical representation of outcomes that express the relationship between topological indices and polynomial structural parameters.
摘要分子图由键和原子组成，其中原子作为顶点存在，键作为边存在。我们可以看到拓扑不变量和拓扑多项式，它们为这些分子图提供了生物活性和物理化学特征。这些拓扑不变量，通常被称为图不变量，是与分子图的拓扑有关的数值。设m pq（X）是X中的边的数量，使得（ζa，ζb）=（p，q），其中ζa（或ζb）表示a（或b）的程度。X的M-多项式可以借助于关系式M（X；X，y）=∑p≤q M p q（X）X p y q M（X）=｛sum｝_｛p le q｝来确定{m}_{pq}（X）{X}^{p}{y}^{q}。在这项研究中，我们计算了M-多项式、遗忘多项式、西格玛多项式和Sombor多项式，以及不同的关键拓扑不变量，称为第一、第二、修正和增广Zagreb、逆和一般Randić、调和、对称除法；使用通用拓扑多项式方法检索了化学结构的遗忘不变量和逆不变量，即金属有机网络（过渡金属四氰基苯有机网络）和立方八面体双金属网络（MOPs）。我们还绘制了结果的二维图形表示，表示拓扑指数和多项式结构参数之间的关系。
{"title":"On topological polynomials and indices for metal-organic and cuboctahedral bimetallic networks","authors":"Farhana Yasmeen, Muhammad Imran, S. Akhter, Yasir Ali, Kashif Ali","doi":"10.1515/mgmc-2022-0012","DOIUrl":"https://doi.org/10.1515/mgmc-2022-0012","url":null,"abstract":"Abstract A molecular graph consists of bonds and atoms, where atoms are present as vertices and bonds are present as edges. We can look at topological invariants and topological polynomials that furnish bioactivity and physio-chemical features for such molecular graphs. These topological invariants, which are usually known as graph invariants, are numerical quantities that relate to the topology of a molecular graph. Let m pq (X) be the number of edges in X such that (ζ a , ζ b ) = (p, q), where ζ a (or ζ b ) present the degree of a (or b). The M-polynomial for X can be determined with the help of relation M ( X ; x , y ) = ∑ p ≤ q m p q ( X ) x p y q M(X;x,y)={sum }_{ple q}{m}_{pq}(X){x}^{p}{y}^{q} . In this study, we calculate the M-polynomial, forgotten polynomial, sigma polynomial and Sombor polynomial, and different topological invariants of critical importance, referred to as first, second, modified and augmented Zagreb, inverse and general Randić, harmonic, symmetric division; forgotten and inverse invariants of chemical structures namely metal-organic networks (transition metal-tetra cyano benzene organic network) and cuboctahedral bimetallic networks (MOPs) are retrieved using a generic topological polynomial approach. We also draw the two-dimensional graphical representation of outcomes that express the relationship between topological indices and polynomial structural parameters.","PeriodicalId":48891,"journal":{"name":"Main Group Metal Chemistry","volume":"45 1","pages":"136 - 151"},"PeriodicalIF":1.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42966981","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
B. Su, Yi-Xiang Shi, Xuehan Peng, Z. Kong, Limin Chang
Abstract A new Cd(ii) coordination polymers, formulated as [Cd(1,4-chdc)(L)] n (1) (L = 1-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)naphthalen-2-ol ligands and 1,4-H2chdc = 1,4-cyclohexanedicarboxylate acid), were successfully synthesized by using L ligand and 1,4-H2chdc acid under hydrothermal conditions and characterized by single crystal X-ray elemental analyses, diffraction, and IR spectroscopy. Each Cd(ii) atom is a distorted pentagonal bipyramidal geometry connecting the deprotonated 1,4-chdc anion to form a 2D layer, and a 2D layer is formed into a 3D supramolecular structure by the π–π stacking interactions between neighboring layers.
{"title":"A new cadmium(ii) coordination polymer with 1,4-cyclohexanedicarboxylate acid and phenanthroline derivate: Synthesis and crystal structure","authors":"B. Su, Yi-Xiang Shi, Xuehan Peng, Z. Kong, Limin Chang","doi":"10.1515/mgmc-2022-0020","DOIUrl":"https://doi.org/10.1515/mgmc-2022-0020","url":null,"abstract":"Abstract A new Cd(ii) coordination polymers, formulated as [Cd(1,4-chdc)(L)] n (1) (L = 1-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)naphthalen-2-ol ligands and 1,4-H2chdc = 1,4-cyclohexanedicarboxylate acid), were successfully synthesized by using L ligand and 1,4-H2chdc acid under hydrothermal conditions and characterized by single crystal X-ray elemental analyses, diffraction, and IR spectroscopy. Each Cd(ii) atom is a distorted pentagonal bipyramidal geometry connecting the deprotonated 1,4-chdc anion to form a 2D layer, and a 2D layer is formed into a 3D supramolecular structure by the π–π stacking interactions between neighboring layers.","PeriodicalId":48891,"journal":{"name":"Main Group Metal Chemistry","volume":"45 1","pages":"208 - 212"},"PeriodicalIF":1.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49139677","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Abstract A novel coordination polymer, [Pb(L)(1,3-bdc)]·2H2O (1), (L = 2-(2,6-dichlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline, 1,3-H2bdc = 1,3-benzenedicarboxylic acid) has been successfully prepared under hydrothermal conditions. The structure of 1 is a 1D chain structure, which further stacks together to form a 3D supramolecular architecture by π–π interactions and C–H⋯π interactions. In addition, the thermogravimetric analysis of 1 has been investigated.
{"title":"Synthesis and structural characterization of a novel lead coordination polymer: [Pb(L)(1,3-bdc)]·2H2O","authors":"Zirui Li, Jiaqi Zhao, M. Lou, Xiuyan Wang","doi":"10.1515/mgmc-2022-0021","DOIUrl":"https://doi.org/10.1515/mgmc-2022-0021","url":null,"abstract":"Abstract A novel coordination polymer, [Pb(L)(1,3-bdc)]·2H2O (1), (L = 2-(2,6-dichlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline, 1,3-H2bdc = 1,3-benzenedicarboxylic acid) has been successfully prepared under hydrothermal conditions. The structure of 1 is a 1D chain structure, which further stacks together to form a 3D supramolecular architecture by π–π interactions and C–H⋯π interactions. In addition, the thermogravimetric analysis of 1 has been investigated.","PeriodicalId":48891,"journal":{"name":"Main Group Metal Chemistry","volume":"45 1","pages":"202 - 207"},"PeriodicalIF":1.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44488972","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
M. U. Rehman, M. Salman, Sheraz Khan, A. D. Maden, Faisal Ali
Abstract A bond-additive connectivity index, named as the Mostar index, is used to measure the amount of peripheral edges of a simple connected graph, where a peripheral edge in a graph is an edge whose one end vertex has more number of vertices closer as compared to the other end vertex. In this study, we count the contribution of peripheral edges in commuting, non-commuting, and non-conjugate graphs associated to the dihedral and semi-dihedral groups. In fact, we compute the Mostar index of these graphs.
{"title":"Mostar index of graphs associated to groups","authors":"M. U. Rehman, M. Salman, Sheraz Khan, A. D. Maden, Faisal Ali","doi":"10.1515/mgmc-2022-0015","DOIUrl":"https://doi.org/10.1515/mgmc-2022-0015","url":null,"abstract":"Abstract A bond-additive connectivity index, named as the Mostar index, is used to measure the amount of peripheral edges of a simple connected graph, where a peripheral edge in a graph is an edge whose one end vertex has more number of vertices closer as compared to the other end vertex. In this study, we count the contribution of peripheral edges in commuting, non-commuting, and non-conjugate graphs associated to the dihedral and semi-dihedral groups. In fact, we compute the Mostar index of these graphs.","PeriodicalId":48891,"journal":{"name":"Main Group Metal Chemistry","volume":"45 1","pages":"124 - 135"},"PeriodicalIF":1.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41764786","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Abstract Three new ethyltin complexes containing ferrocenecarboxylate, Et2Sn(OC(O)Fc)2 (1), [(Et2SnOC(O)Fc)2O]2 (2), and [EtSn(O)OC(O)Fc]6 (3) (Fc = C5H5FeC5H4), have been synthesized by the reaction of diethyltin dichloride with ferrocenecarboxylic acid in the presence of potassium hydroxide and characterized by means of elemental analysis, FT-IR, NMR spectroscopy, and X-ray single crystal diffraction. In solid state, 1 is a weak dimer possessing a cyclic Sn2O2 unit formed by the intermolecular Sn⋯O interaction, and the tin atom has a distorted pentagonal bipyramid geometry. Compound 2 is a four-tin nuclear diethyltin complex with a ladder framework, and each tin atom adopts a distorted trigonal bipyramidal configuration in which two oxygen atoms occupy the axial positions. Compound 3 is a hexa-tin nuclear monoethyltin complex having a drum-shaped structure, and each of the tin atoms possesses a distorted octahedral geometry. The ferrocene units are attached to the tin atoms through the monodentate or bidentate coordinated carboxylates.
{"title":"Syntheses and crystal structures of ethyltin complexes with ferrocenecarboxylic acid","authors":"Ruili Wang, Jing Zhang, Laijin Tian","doi":"10.1515/mgmc-2022-0002","DOIUrl":"https://doi.org/10.1515/mgmc-2022-0002","url":null,"abstract":"Abstract Three new ethyltin complexes containing ferrocenecarboxylate, Et2Sn(OC(O)Fc)2 (1), [(Et2SnOC(O)Fc)2O]2 (2), and [EtSn(O)OC(O)Fc]6 (3) (Fc = C5H5FeC5H4), have been synthesized by the reaction of diethyltin dichloride with ferrocenecarboxylic acid in the presence of potassium hydroxide and characterized by means of elemental analysis, FT-IR, NMR spectroscopy, and X-ray single crystal diffraction. In solid state, 1 is a weak dimer possessing a cyclic Sn2O2 unit formed by the intermolecular Sn⋯O interaction, and the tin atom has a distorted pentagonal bipyramid geometry. Compound 2 is a four-tin nuclear diethyltin complex with a ladder framework, and each tin atom adopts a distorted trigonal bipyramidal configuration in which two oxygen atoms occupy the axial positions. Compound 3 is a hexa-tin nuclear monoethyltin complex having a drum-shaped structure, and each of the tin atoms possesses a distorted octahedral geometry. The ferrocene units are attached to the tin atoms through the monodentate or bidentate coordinated carboxylates.","PeriodicalId":48891,"journal":{"name":"Main Group Metal Chemistry","volume":"45 1","pages":"11 - 18"},"PeriodicalIF":1.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41923668","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Abstract A new two-dimensional (2D) metal–organic complex, [Pb(L)(I)(sba)0.5]2 (1, L = 2-(2,4-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline, H2sba = suberic acid), was synthesized under hydrothermal conditions. The single-crystal X-ray analysis indicates that the asymmetric unit of complex 1 has a distorted [:PbIN2O2] octahedral geometry. It is further extended by two π–π stacking interactions and N–H⋯O hydrogen bonding to form and stabilize 2D supramolecular layer.
{"title":"Synthesis and structural characterization of a novel lead dinuclear complex: [Pb(L)(I)(sba)0.5]2","authors":"Xiuyan Wang, Zirui Li, Jie Wang, Lin Zhao","doi":"10.1515/mgmc-2022-0022","DOIUrl":"https://doi.org/10.1515/mgmc-2022-0022","url":null,"abstract":"Abstract A new two-dimensional (2D) metal–organic complex, [Pb(L)(I)(sba)0.5]2 (1, L = 2-(2,4-difluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline, H2sba = suberic acid), was synthesized under hydrothermal conditions. The single-crystal X-ray analysis indicates that the asymmetric unit of complex 1 has a distorted [:PbIN2O2] octahedral geometry. It is further extended by two π–π stacking interactions and N–H⋯O hydrogen bonding to form and stabilize 2D supramolecular layer.","PeriodicalId":48891,"journal":{"name":"Main Group Metal Chemistry","volume":"45 1","pages":"213 - 218"},"PeriodicalIF":1.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48262038","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
H. Raza, Muhammad Waheed, M. Jamil, Muhammad Azeem
Abstract Graph theory served in different fields of sciences, especially in chemistry in which creating complex structures and studying their enormous properties. Graph operation is a tool to construct complex chemical structures using basic graphs. While studying their properties, topological descriptors are a well-known methodology introduced by chemists, and even after half of a century past, it is still serving. Formally, a topological descriptor or index is a numerical value corresponding to a chemical structure. This numerical value can be easily accessed by a particular equation, for example, the second Zagreb index, the first reformulated Zagreb, and also from the forgotten topological descriptor. In this particular work, we generalized two existing graph operations, and by using these newly developed graph operations, we created two complex structures by using two graph operations, namely, the corona product and double graph operation. Furthermore, to evaluate the chemical properties of these newly generated structures, we used the methodology of topological descriptors, particularly the first and second Zagreb, the first reformulated Zagreb, and forgotten topological descriptors. Moreover, we also presented the closed formulas of the first and second Zagreb co-indices for these newly generated structures.
{"title":"Structures devised by the generalizations of two graph operations and their topological descriptors","authors":"H. Raza, Muhammad Waheed, M. Jamil, Muhammad Azeem","doi":"10.1515/mgmc-2022-0006","DOIUrl":"https://doi.org/10.1515/mgmc-2022-0006","url":null,"abstract":"Abstract Graph theory served in different fields of sciences, especially in chemistry in which creating complex structures and studying their enormous properties. Graph operation is a tool to construct complex chemical structures using basic graphs. While studying their properties, topological descriptors are a well-known methodology introduced by chemists, and even after half of a century past, it is still serving. Formally, a topological descriptor or index is a numerical value corresponding to a chemical structure. This numerical value can be easily accessed by a particular equation, for example, the second Zagreb index, the first reformulated Zagreb, and also from the forgotten topological descriptor. In this particular work, we generalized two existing graph operations, and by using these newly developed graph operations, we created two complex structures by using two graph operations, namely, the corona product and double graph operation. Furthermore, to evaluate the chemical properties of these newly generated structures, we used the methodology of topological descriptors, particularly the first and second Zagreb, the first reformulated Zagreb, and forgotten topological descriptors. Moreover, we also presented the closed formulas of the first and second Zagreb co-indices for these newly generated structures.","PeriodicalId":48891,"journal":{"name":"Main Group Metal Chemistry","volume":"45 1","pages":"44 - 56"},"PeriodicalIF":1.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43305118","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Paraskevi Z. Trialoni, Zografia-Christina M. Fyrigou, C. N. Banti, S. Hadjikakou
Abstract Tetracycline (TecH 2 ) reacts with triphenylantimony (TPSb iii ) in the presence of hydrogen peroxide to form the [Ph3Sbv(Tec)] (TecAn). The sodium penicillin G (PenH) conjugates with Ag(i) towards [Ag(Pen)(MeCN)]2 (PenAcAg). TecAn and PenAcAg were characterized by melting point, X-ray fluorescence spectroscopy, attenuated total reflectance-Fourier transform infra-red, thermogravimetric-differential thermal analysis in solid state, ultraviolet-Vis spectroscopy, and nuclear magnetic resonance (1H and 13C-NMR), spectroscopies in solution. The molecular weight was determined with cryoscopy. The in vitro cytotoxic activity of TecAn and PenAcAg was evaluated against the human breast adenocarcinoma cell lines: MCF-7 (positive to hormones receptor (HR+)), MDA-MB-231 (negative to hormones receptor (HR−)), and their in vitro toxicity and genotoxicity were tested against normal human fetal lung fibroblast cells (MRC-5). The MCF-7 cells’ morphology and acridine orange/ethidium bromide staining suggest an apoptotic pathway for cell death. The binding affinity of TecAn and PenAcAg with DNA was, ex vivo, studied by UV-Vis and fluorescence spectroscopy and viscosity measurements of DNA solution. PenAcAg inhibits lipoxygenase (LOX) stronger than cisplatin, while no inhibitory activity has been detected for TecAn. The reduction of non-active Sb(v), of TecAn, to active Sb(iii) by glutathione (a tripeptide over expressed in tumor cells) was also investigated. Graphical abstract
{"title":"Conjugation of tetracycline and penicillin with Sb(v) and Ag(i) against breast cancer cells","authors":"Paraskevi Z. Trialoni, Zografia-Christina M. Fyrigou, C. N. Banti, S. Hadjikakou","doi":"10.1515/mgmc-2022-0016","DOIUrl":"https://doi.org/10.1515/mgmc-2022-0016","url":null,"abstract":"Abstract Tetracycline (TecH 2 ) reacts with triphenylantimony (TPSb iii ) in the presence of hydrogen peroxide to form the [Ph3Sbv(Tec)] (TecAn). The sodium penicillin G (PenH) conjugates with Ag(i) towards [Ag(Pen)(MeCN)]2 (PenAcAg). TecAn and PenAcAg were characterized by melting point, X-ray fluorescence spectroscopy, attenuated total reflectance-Fourier transform infra-red, thermogravimetric-differential thermal analysis in solid state, ultraviolet-Vis spectroscopy, and nuclear magnetic resonance (1H and 13C-NMR), spectroscopies in solution. The molecular weight was determined with cryoscopy. The in vitro cytotoxic activity of TecAn and PenAcAg was evaluated against the human breast adenocarcinoma cell lines: MCF-7 (positive to hormones receptor (HR+)), MDA-MB-231 (negative to hormones receptor (HR−)), and their in vitro toxicity and genotoxicity were tested against normal human fetal lung fibroblast cells (MRC-5). The MCF-7 cells’ morphology and acridine orange/ethidium bromide staining suggest an apoptotic pathway for cell death. The binding affinity of TecAn and PenAcAg with DNA was, ex vivo, studied by UV-Vis and fluorescence spectroscopy and viscosity measurements of DNA solution. PenAcAg inhibits lipoxygenase (LOX) stronger than cisplatin, while no inhibitory activity has been detected for TecAn. The reduction of non-active Sb(v), of TecAn, to active Sb(iii) by glutathione (a tripeptide over expressed in tumor cells) was also investigated. Graphical abstract","PeriodicalId":48891,"journal":{"name":"Main Group Metal Chemistry","volume":"45 1","pages":"152 - 168"},"PeriodicalIF":1.8,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43310084","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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