Nermin Meriç , Uğur Işık , Anuar Dauletbakov , Darya Zolotareva , Alexey Zazybin , Mehmet Şerif Sever , Veysi Okumuş , Nil Ertekin Binbay , Veysel Binbay , Cezmi Kayan , Remziye Güzel , Murat Aydemir
{"title":"Advanced-designed Ru(II) complexes containing phosphinite ligands derived from chiral amino alcohols: Electrochemical behavior, DFT calculations, and biological activity","authors":"Nermin Meriç , Uğur Işık , Anuar Dauletbakov , Darya Zolotareva , Alexey Zazybin , Mehmet Şerif Sever , Veysi Okumuş , Nil Ertekin Binbay , Veysel Binbay , Cezmi Kayan , Remziye Güzel , Murat Aydemir","doi":"10.1016/j.jorganchem.2024.123410","DOIUrl":"10.1016/j.jorganchem.2024.123410","url":null,"abstract":"<div><div>We report two phosphinite ligands derived from chiral amino alcohols, and their complexes with ruthenium(II). These compounds were characterized by spectroscopic methods. Then, antimicrobial, antioxidant, and DNA binding activities of the chiral Ru(II)-phosphinite complexes were tested. Complex (1<em>R</em>)-2-{benzyl[(1<em>S</em>)-1-(naphthalen-1-yl)ethyl]amino}-1-phenylethyl diphenylphos- phinito[dichloro(η<sup>6</sup>-<em>p</em>-cymene)ruthenium(II)], 7 showed both the highest radical scavenging activity (90.93 ± 0.98 %) and the highest metal chelating activity (65.45 ± 1.46 %) at 200.0 mg l<sup>-1</sup> concentration. In addition, all of complexes had different rates of binding activity to calf thymus DNA (CT-DNA). Moreover, extensive theoretical and experimental investigations were conducted to gain a more profound understanding of the chemical descriptors and the diverse electronic transitions taking place within the ruthenium complexes, as well as their electrochemical characteristics.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1023 ","pages":"Article 123410"},"PeriodicalIF":2.1,"publicationDate":"2024-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142525789","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}
Tian-Tian Sun, Yang Gao, Song Pan, Zhong Li, Ai-Quan Jia, Qian-Feng Zhang
{"title":"Ruthenium methoxy and ruthenium vinylidene complexes featuring dithiocarbamate ligands","authors":"Tian-Tian Sun, Yang Gao, Song Pan, Zhong Li, Ai-Quan Jia, Qian-Feng Zhang","doi":"10.1016/j.jorganchem.2024.123416","DOIUrl":"10.1016/j.jorganchem.2024.123416","url":null,"abstract":"<div><div>Treatment of [(Me<sub>3</sub>tacn)Ru<sup>III</sup>(κ<sup>2</sup>-S<sub>2</sub>CNR<sub>2</sub>)Cl]PF<sub>6</sub> (Me<sub>3</sub>tacn = 1,4,7-trimethyl-1,4,7-triazacyclononane) with methanol in the presence of zinc powder in air afforded four ruthenium methoxy complexes [(Me<sub>3</sub>tacn)Ru<sup>III</sup>(<em>κ</em><sup>2</sup>-S<sub>2</sub>CNR<sub>2</sub>)(OCH<sub>3</sub>)]PF<sub>6</sub> (<em>R</em> = Me <strong>1</strong>, Et <strong>2</strong>, <sup>n</sup>Pr <strong>3</strong>, <sup>i</sup>Pr <strong>4</strong>). Further reactions of complexes <strong>1–4</strong> and phenylacetylene gave four ruthenium vinylidene complexes [(Me<sub>3</sub>tacn)(κ<sup>2</sup>-S<sub>2</sub>CNR<sub>2</sub>)Ru=C=CHPh]PF<sub>6</sub> (<em>R</em> = Me <strong>5</strong>, Et <strong>6</strong>, <sup>n</sup>Pr <strong>7</strong>, <sup>i</sup>Pr <strong>8</strong>). Molecular structures of complexes <strong>1, 2, 3, 6, 7</strong> and <strong>8</strong> were established by single crystal X-ray diffraction analysis. Moreover, all complexes were characterized by infrared, UV–vis, fluorescence and mass spectrometry, and their electrochemical properties were also investigated. The visible-light-induced catalytic properties of complexes <strong>5–8</strong> for H<sub>2</sub> evolution by water splitting were explored.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1022 ","pages":"Article 123416"},"PeriodicalIF":2.1,"publicationDate":"2024-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538525","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}
Saswati Ray , Sanajit Kumar Mandal , Joyanta Choudhury
{"title":"Electrocatalytic CO2 reduction to HCO2H by protic NHC-Ir complexes","authors":"Saswati Ray , Sanajit Kumar Mandal , Joyanta Choudhury","doi":"10.1016/j.jorganchem.2024.123422","DOIUrl":"10.1016/j.jorganchem.2024.123422","url":null,"abstract":"<div><div>In electrochemical CO<sub>2</sub>-conversion strategies, various transition metal-based molecular electrocatalysts are employed to reduce CO<sub>2</sub> into products like CO and HCO<sub>2</sub>H, with H<sub>2</sub> as a competitive side product. However, achieving selectivity towards HCO<sub>2</sub>H remains challenging, and suitable catalysts for the same are limited. Herein we report a normal and an abnormal protic-NHC-based Cp*Ir(III)-half sandwich complexes for catalytic CO<sub>2</sub> electroreduction in an aqueous acetonitrile solvent. Both the catalysts predominantly produced HCO<sub>2</sub>H as the CO<sub>2</sub>-reduced product at an applied potential of –2.66 V vs Fc<sup>+</sup>/Fc with 5 % H<sub>2</sub>O as the proton source; however, the normal protic-NHC-bound complex achieved a Faradic efficiency (FE) of 86±4 %, while the complex with the abnormal protic-NHC ligand furnished FE up to 72±4 %. The protic proton of the protic NHC ligand in these complexes was proposed to participate in a proton relay process, facilitating generation of the crucial Ir–H intermediate, which reacts with CO<sub>2</sub> to produce HCO<sub>2</sub>H through stabilization of the Ir–OCHO intermediate.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1022 ","pages":"Article 123422"},"PeriodicalIF":2.1,"publicationDate":"2024-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538522","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}
Jason A. Denny , Georgette M. Lang , Shane Autry , Vivek Dixit , Tyler L. Woodby , Annie McClellan , Jaclyn M. Trate , Nathan I. Hammer , Charles Edwin Webster , T. Keith Hollis
{"title":"Air-stable palladium NHeterocyclic carbene based CCCNHC pincer complexes: Synthesis, characterization, photophysical and Raman vibrational studies, and DFT studies, plus observation of an abnormal carbene pincer","authors":"Jason A. Denny , Georgette M. Lang , Shane Autry , Vivek Dixit , Tyler L. Woodby , Annie McClellan , Jaclyn M. Trate , Nathan I. Hammer , Charles Edwin Webster , T. Keith Hollis","doi":"10.1016/j.jorganchem.2024.123419","DOIUrl":"10.1016/j.jorganchem.2024.123419","url":null,"abstract":"<div><div>A series of CCC<img>NHC pincer Pd(II)X complexes, where X = Cl, Br, or I, were synthesized by a metalation/transmetalation reaction sequence and characterized by NMR and Raman spectroscopy, photophysical studies, X-ray crystallography, and DFT computational studies. This is the first detailed report of the CCC<img>NHC pincer Pd complexes analogous to the previously reported Pt analogs. Photophysical measurements show that by varying the X ligand, the emission wavelength can be tuned. The chloride complex is a water and air stable blue emitter with a quantum yield of 46 % and all three complexes have photostabilities >90 %. A combined DFT and TD-DFT study has been carried out to investigate ground state and excited state geometries as well as absorption and emission processes of CCC<img>NHC Pd complexes. Theoretical results were compared with the corresponding experimental results and showed good agreement. Raman spectroscopy (computational and experimental) was used to examine Pd-X vibrations which have been rarely reported in the literature. Several by-products of the metalation/transmetalation procedure were identified. A rare mixed normal/abnormal carbene pincer Pd(II)Cl complex was isolated and crystallographically characterized.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1023 ","pages":"Article 123419"},"PeriodicalIF":2.1,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142652649","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}
Ümit Demirbaş , Zehra Özçifçi , Hakkı Türker Akçay
{"title":"Novel phthalocyanines bearing fluoro-methylquinolin substituents: Synthesis, characterization, photophysical and photochemical properties","authors":"Ümit Demirbaş , Zehra Özçifçi , Hakkı Türker Akçay","doi":"10.1016/j.jorganchem.2024.123421","DOIUrl":"10.1016/j.jorganchem.2024.123421","url":null,"abstract":"<div><div>The novel 4-((6-fluoro-2-methylquinolin-4-yl)oxy)phthalonitrile (<strong>3a</strong>), 3-((6-fluoro-2-methylquinolin-4-yl)oxy)phthalonitrile <strong>(3b),</strong> tetra 6-fluoro-2-methylquinolin-4-yl)oxy substituted zinc(II) phthalocyanines <strong>(4a</strong> and <strong>4b)</strong> and their water soluble derivatives <strong>(5a</strong> and <strong>5b)</strong> were prepared. The proposed structures of novel compounds were comfirmed via FT-IR, <sup>1</sup>HNMR , UV–Vis and MALDI-TOF mass data. The aggregation tendency, fluorescence quantum yield, singlet oxygen quantum yield and photodegradation measurements were performed to examine the photodynamic therapy potential of both peripherally tetra substituted zinc(II) phthalocyanines <strong>(4a</strong> and <strong>4b)</strong> and the water soluble quaternized tetra substituted zinc(II) phthalocyanines <strong>(5a</strong> and <strong>5b)</strong>. The result showed that both the novel tetra 6-fluoro-2-methylquinolin-4-yl)oxy substituted zinc(II) phthalocyanines <strong>(4a</strong> and <strong>4b)</strong> and their water soluble derivatives <strong>(5a</strong> and <strong>5b)</strong> could be used as photosensitizer agents in PDT thanks to their lack of aggregation tendency, having sufficient fluorescence emission for monitoring and produce high amount of singlet oxygen to destroy cancerous tissues and having moderate photostability.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1022 ","pages":"Article 123421"},"PeriodicalIF":2.1,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538526","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}
{"title":"Elemental tellurium in organoelement synthesis of tellurium-containing organometallics and telluracycles","authors":"Alexander V. Martynov","doi":"10.1016/j.jorganchem.2024.123418","DOIUrl":"10.1016/j.jorganchem.2024.123418","url":null,"abstract":"<div><div>An overview presents the known methods of using elemental tellurium in the synthesis of various acyclic and cyclic, saturated and unsaturated compounds containing Te–E bonds (<em>E</em> = main group atom or transition metal atom). These methods include the insertion of tellurium into the C–E (<em>E</em> = halogen, Al, Ga, Sn, Zr) and P–E (<em>E</em> = Li, P, Si, Ge and Sn) and Sn–Sn single bonds and the addition to the <em>E</em> = <em>E</em> (<em>E</em> = Si, Ge and Sn) double bond, and P<img>C triple bond, as well as the breakdown of the C<img>C double bond and the exchange of metal (Hg, Ag) and non-metal (B, I) for Te. Reactions with carbenes, their heavier (Si, Ge, Sn) analogs and free radicals are also discussed, as are the oxidation of organophosphorous (III) compounds, silanes and germanes with Te and the direct cyclisation of alkanes, arenes and heteroarenes containing two halogenomethyl fragments with elemental Te. Three-component heterocyclizations involving elemental tellurium and leading to telluracycles are also discussed. The reactions mentioned above are compared to those involving lighter chalcogens.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1022 ","pages":"Article 123418"},"PeriodicalIF":2.1,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538528","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}
Alyaa A. Alkhafaji , Hind M. Ahmed , Batool K. Queen , Ali Abdullah Issa , Ghassan M. Sulaiman , Amany Assem ELkashef , Doaa S. El-Sayed
{"title":"Recent perspective on polymeric Semimetal (Si, Ge and As) and nonmetal (N and P) doped C70-Fullerene system: Comparative electronic, dynamic behavior and chemotherapy docking with ADMET analysis","authors":"Alyaa A. Alkhafaji , Hind M. Ahmed , Batool K. Queen , Ali Abdullah Issa , Ghassan M. Sulaiman , Amany Assem ELkashef , Doaa S. El-Sayed","doi":"10.1016/j.jorganchem.2024.123417","DOIUrl":"10.1016/j.jorganchem.2024.123417","url":null,"abstract":"<div><div>Fullerene system, based on carbon atoms, was studied and its structural modification was built with consideration of several elements such as Si, N, P, Ge, and As, where doped modified systems were constructed. Synthetic routes survey was considered to acquire the structures' availability in further applications related to structure properties investigation. The computational investigation of these designed systems was described using the most popular approach of density functional theory (DFT). Electronic behavior for all systems was studied especially through density of states (DOS) spectra, molecular electrostatic potential (MEP), and frontier molecular orbitals (FMOs) for best comparison towards stability with less energetic properties, where C-fullerene was predicted as a more stable candidate as its ∆E with value of 1.714 eV. Molecular dynamic simulation (MD) was considered to predict the stability of the atoms in the system during the physical movement at 100 ps. A polymeric model of triple Fullerene rings was linked for each Semimetal atom (Si, Ge, and As) to predict the radial distribution function (RDF) and dynamic behavior for stability conditions. The calculated energy parameters such as potential, kinetic, and non-bond energies mainly described the system movement stability during the simulation time. Molecular docking analysis of the modified doped systems was performed for chemotherapy prediction of the studied systems against breast cancer target protein (5NWH) to evaluate the inhibition strength through active sites binding affinity. The estimated binding affinity of Si-fullerene was found the most favorable result (-12.73 kcal/mol). ADMET properties were estimated for further drug-like prediction through comparative pharmacokinetic factors.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1022 ","pages":"Article 123417"},"PeriodicalIF":2.1,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538521","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}
{"title":"GQDs@SiO3Pr Schiff-base complexes Co (II); As an eco-friendly environmental nanocatalyst for the synthesis of the amino carbonitrile chromenes","authors":"Marziyeh Behrouzi, Khadijeh Rabiei, Soheil Ghasemzadeh","doi":"10.1016/j.jorganchem.2024.123413","DOIUrl":"10.1016/j.jorganchem.2024.123413","url":null,"abstract":"<div><div>An effective nanocomposite comprising functionalized graphene quantum dots has been developed for the rapid, one-step production of amino carbonitrile chromenes. To this end, the surface of graphene quantum dots (GQDs) was functionalized with a novel synthetic Schiff-base complex of cobalt (II) prepared by post-synthetic surface modification of the graphene quantum dot surface with a silane coupling agent (3-chloropropyl trimethoxysilane, SiO<sub>3</sub>PrCl) in order to synthesize GQDs@SiO<sub>3</sub>PrCl. Then, the Schiff base ligand synthesized from the condensation reaction of 4-aminoantipyrine with <em>ortho</em>-phenylenediamine was immobilized on the surface of the silane-linker grafted GQDs to synthesize the GQDs@SiO<sub>3</sub>Pr-Schiff base. Finally, the cobalt particles were stabilized on the surface of the graphene quanta functionalized with Schiff bases (GQDs@SiO<sub>3</sub>Pr-Schiff Base/Co (II)). The GQDs@SiO<sub>3</sub>Pr-Schiff Base/Co (II) nanocatalyst demonstrated exceptional performance in the synthesis of amino carbonitrile chromenes derivatives, facilitating high product yields using various aromatic aldehydes, 4‑hydroxy coumarin and malononitrile under mild conditions. Additionally, the catalyst exhibited reusability up to seven times without significant loss of productivity, showcasing its environmental friendliness and sustainability in organic synthesis. This versatile nanocatalyst holds promising for efficient and economically viable catalysis in diverse chemical applications.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1022 ","pages":"Article 123413"},"PeriodicalIF":2.1,"publicationDate":"2024-10-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538527","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}
Mohd Mustaqim Rosli, Ainizatul Husna Anizaim, Siti Nabilla Aliya Mohd Nizar, Ibrahim Abdul Razak, Suhana Arshad
{"title":"Designing ferrocenyl thiophene chalcones as light harvester candidates for dye-sensitized solar cells","authors":"Mohd Mustaqim Rosli, Ainizatul Husna Anizaim, Siti Nabilla Aliya Mohd Nizar, Ibrahim Abdul Razak, Suhana Arshad","doi":"10.1016/j.jorganchem.2024.123415","DOIUrl":"10.1016/j.jorganchem.2024.123415","url":null,"abstract":"<div><div>In dye-sensitized solar cells (DSSCs), the dye (or photosensitizer) plays a crucial role. It absorbs light and generates electrons, which affects the efficiency of converting sunlight into electricity. While Ru(II)-based dyes are common in DSSCs, their scarcity, susceptibility to degradation, and limited absorption range pose challenges for wider adoption. Three new ferrocenyl-thiophene compounds have been synthesized, all sharing the same core structure, but the distinctive difference is the existence of methyl group (CH<sub>3</sub>) and bromine (Br) substituents attached to the thiophene ring. Using the structures obtained from spectroscopic and X-ray crystallography analyzes, the chemical reactivity of these compounds is theoretically evaluated. Cyclic voltammetry (CV) analysis and electrochemical impedance spectroscopy (EIS) were employed to investigate the redox properties and electron transport mechanisms of the material. The bromination process demonstrates its efficacy for dye applications, while the methyl attachment to the thiophene ring enhances anchoring toward TiO₂, contributing to improved performance in DSSCs. Overall, the compound featuring bromine exhibited a lower band gap compared to the others, resulting in higher efficiency in solar simulation analysis, nearly double that of the methyl-containing compound, and significantly surpassing the plain thiophene compound. EIS analysis revealed that, among the three ferrocenyl chalcone dyes, the bromine-containing compound exhibited the highest charge recombination resistance and longest electron lifetime.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1022 ","pages":"Article 123415"},"PeriodicalIF":2.1,"publicationDate":"2024-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142538520","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}
Danijela Lj. Stojković , Edina H. Avdović , Maja B. Đukić , Verica V. Jevtić , Đorđe S. Petrović , Ratomir M. Jelić , Milena Jurišević , Nevena Gajović , Vladimir Marković , Aleksandar Arsenijević , Ivan Jovanović , Ivana D. Radojević , Sandra S. Jovičić Milić
{"title":"Synthesis, comprehensive characterization and investigation of biological properties of newly synthesized Pt(II)-aminothiazole complexes: Combining experimental and computational approach","authors":"Danijela Lj. Stojković , Edina H. Avdović , Maja B. Đukić , Verica V. Jevtić , Đorđe S. Petrović , Ratomir M. Jelić , Milena Jurišević , Nevena Gajović , Vladimir Marković , Aleksandar Arsenijević , Ivan Jovanović , Ivana D. Radojević , Sandra S. Jovičić Milić","doi":"10.1016/j.jorganchem.2024.123411","DOIUrl":"10.1016/j.jorganchem.2024.123411","url":null,"abstract":"<div><div>The synthesis of new platinum(II) complexes with 2-amino-6-methyl-benzothiazole and 2-amino-6-chlorobenzothiazole as ligands were reported and the proposed structure of the complexes were determined using elemental microanalysis, infrared, <sup>1</sup>H and <sup>13</sup>C NMR spectroscopy. To verify the suggested structures a computational approach utilizing Density Functional Theory was implemented. The results showed a strong correlation with experimental data, confirming the hypothesized structures of investigated compounds.</div><div>The interactions of novel platinum(II) complexes with human serum albumin and calf thymus DNA were studied by fluorescence spectroscopy and UV-Vis absorption. The predominantly elevated values of the binding constant, <em>K</em><sub>b</sub>, and the Stern-Volmer quenching constant, <em>K</em><sub>SV</sub>, stem from the effective attachment of complexes to both HSA and CT-DNA. To establish the mode of interaction, viscosity measurements were conducted. The results showed that complexes are not performing intercalation between the DNA bases, and which probably bind to minor/major grooves.</div><div>In vitro cytotoxic effect of ligands and platinum(II) complexes was evaluated in the panel of cancer cell lines (mouse mammary carcinoma and colon cancer, and on human mammary carcinoma and colon cancer), and on non-tumor cells, mouse mesenchymal stem cell line using MTT assay. Platinum(II) complex with 2-amino-6-methyl-benzothiazole showed a very good cytotoxic activity mainly by inducing apoptosis.</div><div>In vitro antimicrobial assay of ligands and complexes was tested against 11 microorganisms using microdilution method and the minimum inhibitory concentration and minimum microbicidal concentration were identified. All tested compounds exhibited moderate antifungal activity and significantly better action on <em>S. aureus</em> ATCC 25,923.</div></div>","PeriodicalId":374,"journal":{"name":"Journal of Organometallic Chemistry","volume":"1023 ","pages":"Article 123411"},"PeriodicalIF":2.1,"publicationDate":"2024-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142561178","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}