{"title":"A 2D open framework zinc phosphate and its high proton conductance properties at medium and low temperature","authors":"Kai-ming Zhang , Xiao-luo Zhong , Xue-yi Zhou , Xuan-ting Kuang , Hai-rong Zhao","doi":"10.1016/j.poly.2024.117258","DOIUrl":"10.1016/j.poly.2024.117258","url":null,"abstract":"<div><div>A 2D open-framework zinc phosphate <strong>[C<sub>3</sub>N<sub>2</sub>H<sub>12</sub>][Zn<sub>2</sub>(HPO<sub>4</sub>)<sub>3</sub>]</strong> (<strong>1</strong>) was synthesized by solvothermal method. The inorganic anion layer is constructed from Zn<sub>2</sub>P<sub>2</sub>O<sub>12</sub> cluster units and the interlayer spaces are filled by the diprotonated DAP molecules. The resultant compound had high purity and thermal stability by PXRD and TG analysis. This compound exhibited strongly temperature and humidity dependent proton conductivity, and its highest proton conductivity achieves 2.36 × 10<sup>−2</sup> S<sup>.</sup>cm<sup>−1</sup> at 100 %RH and 333 K. Moreover, the important effect of the dense hydrogen bond network in elevating the proton conductivity was explored through comparing the structure and proton conduction behavior between <strong>1</strong> and <strong>[C<sub>3</sub>N<sub>2</sub>H<sub>12</sub>][Zn(HPO<sub>4</sub>)<sub>2</sub>]</strong> (<strong>2</strong>), which synthesized <em>via</em> the same hydrothermal reaction process, and only a slight difference in the amount of DAP.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"264 ","pages":"Article 117258"},"PeriodicalIF":2.4,"publicationDate":"2024-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142552069","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":"Synthesis and characterization of novel spiro-(2,2′-dioxybiphenyl)-cyclotriphosphazene derivatives bearing butylated oxyanisole groups and their antioxidant and antimicrobial activities","authors":"Efe Bilal Sönmez , Şule Şahin Ün , Ceylan Mutlu Balcı , Devrim Atilla , Mine Gül Şeker , Hanife İbişoğlu","doi":"10.1016/j.poly.2024.117252","DOIUrl":"10.1016/j.poly.2024.117252","url":null,"abstract":"<div><div>In this study, novel cyclotriphosphazene derivatives, {[N<sub>3</sub>P<sub>3</sub>(biph)(BA)<sub>2</sub>] (<strong>6a/b</strong>), [N<sub>3</sub>P<sub>3</sub>(biph)(BA)<sub>3</sub>] (<strong>7</strong>), [N<sub>3</sub>P<sub>3</sub>(biph)<sub>2</sub>(BA)Cl (<strong>8</strong>) and [N<sub>3</sub>P<sub>3</sub>(biph)<sub>2</sub>(BA)<sub>2</sub> (<strong>9</strong>)]}, (biph = 2′,2′′-dioxy-1′,1′′- biphenyl, BA = butylated oxyanisole}, were synthesized from the nucleophilic substitution reactions of butylated hydroxyanisole (BHA) (<strong>5</strong>) with [N<sub>3</sub>P<sub>3</sub>(biph)Cl<sub>4</sub>] (<strong>3</strong>) and [N<sub>3</sub>P<sub>3</sub>(biph)<sub>2</sub>Cl<sub>2</sub>] (<strong>4</strong>), respectively. The structures of all the products (<strong>6a/b</strong>, <strong>7</strong>, <strong>8</strong> and <strong>9</strong>) were determined -using elemental analysis, mass and (<sup>1</sup>H and <sup>31</sup>P) NMR spectroscopic techniques. The molecular and crystal structure of compound <strong>9</strong> was also determined by single crystal X-ray crystallography. At the same time, the compounds (<strong>3</strong>, <strong>4</strong>, <strong>7</strong>, <strong>8</strong> and <strong>9</strong>) were tested for their antimicrobial and antioxidant (free radical scavenging) activities. Of all, compounds <strong>8</strong> and <strong>9</strong> showed relatively significant antimicrobial activity against the control strains <em>Bacillus cereus</em> DSMZ 4312 (16,5 and 18,25 mm) and against <em>Staphylococcus aureus</em> ATCC 29213 (25 and 22,5 mm) compared to their positive controls. The MIC<sub>50</sub> values of compounds <strong>8</strong> and <strong>9</strong> against <em>Bacillus cereus</em> were determined at 125 µg/mL and < 325 µg/mL, respectively, and <em>Staphylococcus aureus</em> at 125 µg/ mL for both compounds. While the other compounds (<strong>3</strong>, <strong>4</strong> and <strong>7</strong>) did not possess antimicrobial properties, they showed strong antioxidant activity. In the antioxidant assay based on the EC<sub>50</sub> value of BHA used as a control, compound <strong>7</strong> showed antioxidant activity even at low concentrations such as 9,37 µg/ mL (83 %), while compounds <strong>3</strong> and <strong>4</strong> showed antioxidant properties even at relatively low concentrations such as 18,75 µg/mL. Compounds <strong>8</strong> and <strong>9</strong>, two antimicrobial compounds, did not exhibit antioxidant properties.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"265 ","pages":"Article 117252"},"PeriodicalIF":2.4,"publicationDate":"2024-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142653682","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":"A new organic–inorganic chloride (H3N–(CH2)6–NH3)[SnCl6]: Crystal structure, thermal analysis, vibrational study, and electrical properties","authors":"Hannachi Nejeh , Abderrazek Oueslati , Walid Rekik","doi":"10.1016/j.poly.2024.117250","DOIUrl":"10.1016/j.poly.2024.117250","url":null,"abstract":"<div><div>In this work, a new Organic-Inorganic chloride (H<sub>3</sub>N–(CH<sub>2</sub>)<sub>6</sub>-NH<sub>3</sub>)[SnCl<sub>6</sub>] (<strong>1</strong>) has been synthesized and characterized by single crystal X-ray diffraction (XRD), IR, Raman and impedance spectroscopies. The crystallographic study displays that the title compound crystallizes in the triclinic system with the <em>P</em>−1 space group. The vibrational study (IR, Raman) at room temperature confirmed the existence of the organic and inorganic functional groups. Differential scanning calorimetry (DSC) analysis reveals the existence of three reversible phase transitions at T<sub>1</sub> = 345/325 K, T<sub>2</sub> = 483/443 K, and T<sub>3</sub> = 496/465 K (Heating/Cooling). Furthermore, the conductivity analysis and the dielectric properties confirm the presence of these phase transitions. AC-conductivity measurement of (<strong>1</strong>) has been investigated using complex impedance spectroscopy in frequency and temperature range 10 Hz–5 MHz and 313–523 K, respectively. The study of Nyquist plots showed the contribution of grains and grain boundaries in the electrical study, confirming the existence of a non-Debye type relaxation. The AC conductivity shows that the material has the potential of impedance sensors.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"264 ","pages":"Article 117250"},"PeriodicalIF":2.4,"publicationDate":"2024-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142441400","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}
PolyhedronPub Date : 2024-10-10DOI: 10.1016/j.poly.2024.117254
Sana Ghaffar , Adeel Ahmed , Muhammad Jamshaid , Wedad A. Al-onazi , M. Ajmal Ali , Amjad Iqbal , Rashid Iqbal
{"title":"Construction of visible-light-induced Fe2O3/g-C3N4 nanocomposites for the enhanced degradation of organic dyes: Optimization of operative parameters","authors":"Sana Ghaffar , Adeel Ahmed , Muhammad Jamshaid , Wedad A. Al-onazi , M. Ajmal Ali , Amjad Iqbal , Rashid Iqbal","doi":"10.1016/j.poly.2024.117254","DOIUrl":"10.1016/j.poly.2024.117254","url":null,"abstract":"<div><div>This research aims to develop the highly promising Fe<sub>2</sub>O<sub>3</sub>/g-C<sub>3</sub>N<sub>4</sub> photocatalyst through hydrothermal techniques to cope with the elevated amounts of bromophenol blue (BPB) dye in wastewater. The morphological studies were carried out by SEM analysis, while the crystallinity, structural behavior, and oxidation states of the prepared materials were determined by XRD, FTIR, and XPS analysis. The hydrodynamic size, surface area, and magnetic characteristics of the constructed materials were assessed through DLS, BET, and VSM analysis. The effectivity of the synthesized Fe<sub>2</sub>O<sub>3</sub> and Fe<sub>2</sub>O<sub>3</sub>/g-C<sub>3</sub>N<sub>4</sub>-30 photocatalysts was appraised by the abatement of BPB under visible light radiation for 48 min. The results have shown an excellent degradation efficacy of Fe<sub>2</sub>O<sub>3</sub>/g-C<sub>3</sub>N<sub>4</sub>-30 photocatalyst with 98.39 % of BPB removal and a rate constant of 0.0757 min<sup>−1</sup>, which was much higher than Fe<sub>2</sub>O<sub>3</sub> photocatalyst with 79.64 % of removal and a rate constant of 0.0335 min<sup>−1</sup> under optimum conditions. The enhancement in degradation efficiency of the Fe<sub>2</sub>O<sub>3</sub>/g-C<sub>3</sub>N<sub>4</sub>-30 was due to the large surface area of Fe<sub>2</sub>O<sub>3</sub>/g-C<sub>3</sub>N<sub>4</sub>-30 (106.94 m<sup>2</sup>/g) as a result of g-C<sub>3</sub>N<sub>4</sub> inclusion in the material, while the pure Fe<sub>2</sub>O<sub>3</sub> unveiled a surface area of 89.67 m<sup>2</sup>/g. The impact of different reaction parameters on BPB degradation was also investigated, while the contribution of free radicals was corroborated through radical trapping experiments. The Fe<sub>2</sub>O<sub>3</sub>/g-C<sub>3</sub>N<sub>4</sub>-30 exhibited tremendous stability for repeated applications, with a loss of 8.03 % in efficiency after five consecutive experiments because of its easy magnetic separation. The experimental results have shown that synthesized Fe<sub>2</sub>O<sub>3</sub>/g-C<sub>3</sub>N<sub>4</sub>-30 photocatalysts could be used for the effective degradation of BPB from wastewater.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"264 ","pages":"Article 117254"},"PeriodicalIF":2.4,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142437659","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}
PolyhedronPub Date : 2024-10-10DOI: 10.1016/j.poly.2024.117253
Mohd Mustafa , Tabee Jan , Shabnam Raheem , Junaid Afzal , Naveed Nazir , Mubashir Hussain Masoodi , Masood Ahmad Rizvi
{"title":"Supradecoration induced novel Properties: A comparative study of Ferrocene and Ferrocenyl α-aminophosphonate","authors":"Mohd Mustafa , Tabee Jan , Shabnam Raheem , Junaid Afzal , Naveed Nazir , Mubashir Hussain Masoodi , Masood Ahmad Rizvi","doi":"10.1016/j.poly.2024.117253","DOIUrl":"10.1016/j.poly.2024.117253","url":null,"abstract":"<div><div>Decorating chemical motifs with appropriate functional groups capable of supramolecular interactions hold key in modulating these novel systems for targeted applications. This work by means of a comparative study of Ferrocene and Ferrocenyl α- aminophosphonate highlight supradecoration induced multi paradigm properties across materials to medicine. The observed results indicate an increase in crystal framework energy with induction of mechanochromism and aggregation-induced emission in case of Ferrocenyl-α-amino phosphonate as novel supra decorated Ferrocene motif. Comparative BSA and BLC studies indicated improved biocompatibility with enhancement of catalase enzyme activity in case of Ferrocenyl-α- aminophosphonate compared to pristine Ferrocene. The relative quantification of intermolecular non covalent interactions of Ferrocene and Ferrocenyl-α- aminophosphonate evaluated using Quantum crystallographic methods and non-covalent interaction analysis were used to corroborate the supramodulation effects. The observed influence of Ferrocenyl α-aminophosphonate on the enzymatic activity of catalase was also examined using a comparative molecular docking analysis. The docking results corroborated influence of supradecoration on binding affinity and binding site, which are vital for designing ligands of enhanced catalase activity and also helpful in prediction of newer regulatory sites on enzyme. Taken together this work signifies how supra decoration of Ferrocene motif with functionalities capable of diverse intermolecular non-covalent interactions modulate molecular properties for newer applications.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"264 ","pages":"Article 117253"},"PeriodicalIF":2.4,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142441401","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":"New Brønsted–Lowry acid Co(II) complexes: Synthesis, characterization, and investigation of electrochemical application for sensing of salbutamol","authors":"Bosena Dinber , Kidanemariam Teklay Hilawea , Endalamaw Yihune , Getasil Chanie , Melaku Metto , Mamaru Bitew , Getinet Tamiru Tigineh , Atakilt Abebe","doi":"10.1016/j.poly.2024.117248","DOIUrl":"10.1016/j.poly.2024.117248","url":null,"abstract":"<div><div>In recent years, the employment of transition metal complexes for working electrode surface modification for sensor fabrication has become an area of research direction. Based on this, in this study, three Co(II) complexes: Co(phen)Cl<sub>2</sub> (CoC<sub>12</sub>H<sub>8</sub>N<sub>2</sub>Cl<sub>2</sub>) (<strong>C1</strong>), and <strong>Brønsted–Lowry acids</strong> Co(phen)(HTA)Cl (CoC<sub>16</sub>H<sub>13</sub>N<sub>2</sub>O<sub>6</sub>Cl)(<strong>C2</strong>), and Co(phen)(HTA)<sub>2</sub> (CoC<sub>20</sub>H<sub>18</sub>N<sub>2</sub>O<sub>12</sub>)(<strong>C3</strong>) were synthesized and characterized using various techniques such as UV–Vis, FT-IR, ICP OES, TGA, DTA, pXRD as well as electrolytic conductivity, and acid-base property analysis. C and C3 were found polycrystalline whose size falls within the nano range of 50 and 51 nm, respectively. The synthesis was intended to get materials for voltammetrically modifying glassy carbon electrodes for the determination of salbutamol. Salbutamol<!--> <!-->is a short-acting β<sub>2</sub> <!-->adrenergic receptor agonist that is applied for opening the medium and large airways in the lungs and eventually treats asthma among other problems. The electrochemical application of the synthesized materials was studied by fabricating through electropolymerization of C1, C2, and C3 on glassy carbon electrodes. The poly(C1)/GCE, poly(C2)/GCE, and poly(C3)/GCE) revealed effective surface area is 0.174 cm<sup>2</sup>, 0.183 cm<sup>2</sup>, and 0.281 cm<sup>2</sup>, respectively, and electrochemical catalysis of the materials increased with the number of the tartrate. The Rct values are 5686, 242, 216, and 185 Ω cm<sup>2</sup>, while the C<sub>dl</sub> values are 9.93 × 10<sup>−8</sup>, 5.35 × 10<sup>−6</sup>, 1.25 × 10<sup>−5</sup>, and 2.72 × 10<sup>−5</sup>, for bare GCE, poly(C1)/GCE, poly(C2)/GCE and poly(C3)/GCE, respectively. Similarly, the rate of charge transfer (k°) increased significantly on the modified electrode compared to the bare GCE. Salbutamol demonstrated a single well-shaped irreversible oxidative peak at the modified electrodes in the ascending order of poly(C1)/GCE, poly(C2)/GCE, and poly(C3)/GCE when compared to a bare GCE.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"264 ","pages":"Article 117248"},"PeriodicalIF":2.4,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142416251","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}
PolyhedronPub Date : 2024-10-10DOI: 10.1016/j.poly.2024.117249
Nikolay A. Bumagin , Irina A. Kolesnik , Vladimir I. Potkin , Evgeniy A. Dikusar , Alexander S. Lyakhov , Ludmila S. Ivashkevich , Hongwei Zhou , Wenliang Li
{"title":"Palladium(II) complexes of N-(pyridin-2-yl)-1,2-azol-3-carboxamide derived NNN-pincer ligands: Synthesis, unusual complexation and high-turnover catalysis in water","authors":"Nikolay A. Bumagin , Irina A. Kolesnik , Vladimir I. Potkin , Evgeniy A. Dikusar , Alexander S. Lyakhov , Ludmila S. Ivashkevich , Hongwei Zhou , Wenliang Li","doi":"10.1016/j.poly.2024.117249","DOIUrl":"10.1016/j.poly.2024.117249","url":null,"abstract":"<div><div>Synthesis, characterization, and catalytic activity of palladium(II) complexes containing tridentate <em>N</em>-(pyridin-2-yl)-1,2-azol-3-carboxamide ligands with various length amide linkers [CONH(CH<sub>2</sub>)<em><sub>n</sub></em>, <em>n</em> = 0,1,2] is reported. Complexation of previously undescribed mixed pyridin-azol-carboxamide ligands with PdCl<sub>2</sub> occurs unusually by deprotonation of the amide group and elimination of HCl affording the palladium(II) pincer complexes [(k<sup>3</sup>-NNN)PdCl]<em><sub>n</sub></em> (<em>n</em> = 1, 2), which was proven by single crystal X-ray diffraction. The first time synthesized complexes are high-turnover catalysts, as was shown during the evaluation in Suzuki reaction between aryl halides and arylboronic acids: substituted biaryls, including practically significant, were obtained with up to quantitative yields under Green Chemistry conditions.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"264 ","pages":"Article 117249"},"PeriodicalIF":2.4,"publicationDate":"2024-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142441402","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":"Application of enaminone ruthenium(II) complexes as catalysts in the transfer hydrogenation of ketones","authors":"Rukiye Fırıncı , Erkan Fırıncı , Resul Sevinçek , Muhittin Aygün","doi":"10.1016/j.poly.2024.117247","DOIUrl":"10.1016/j.poly.2024.117247","url":null,"abstract":"<div><div>This study reported the synthesis of two new ligands (<strong>1</strong>,<strong>2</strong>) and their Ru(II)-enaminone complexes (<strong>3</strong>,<strong>4</strong>). The Ru(II) complexes were obtained from the reaction of the [RuCl<sub>2</sub>(p-cymene)]<sub>2</sub> dimers with the new enaminone derivative ligands (<strong>1</strong>,<strong>2</strong>). The use of standard spectroscopy techniques entirely characterized the compounds. Single crystal studies investigated the crystal structure of ligand (<strong>1</strong>) and complexes (<strong>3</strong>,<strong>4</strong>). X-ray diffraction data analysis was used to confirm the enaminone form of <strong>1</strong>. Also, <strong>3</strong> and <strong>4</strong> exhibited the classical three-legged piano stool structure with Ru(II) coordinated by the nitrogen and oxygen atoms of <strong>1</strong> and a chloride ligand as the legs and the η<sup>6</sup>-π-bound p-cymene ligand occupies the seat of the piano stool. The Ru(II) complexes have been studied as catalysts in the transfer hydrogenation of acetophenone and other various ketones in the presence of KO<em><sup>t</sup></em>Bu. The catalytic conditions were optimized using different substrate/catalyst and base/catalyst ratios. We found that the complexes show good activities and up to 100 % selectivity. The best turnover frequency (1667 h<sup>−1</sup>) was found for <strong>3</strong> when using acetophenone as the substrate.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"264 ","pages":"Article 117247"},"PeriodicalIF":2.4,"publicationDate":"2024-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142437527","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":"Synthesis of zinc phthalocyanine containing 1,2-phenylene bis(3-chloropropanoate) substituted groups and investigation of their metabolic enzyme inhibitory effects","authors":"Derya Güngördü Solğun , Nastaran Sadeghian , Parham Taslimi , Tugba Taskin-Tok , Mehmet Salih Ağırtaş","doi":"10.1016/j.poly.2024.117251","DOIUrl":"10.1016/j.poly.2024.117251","url":null,"abstract":"<div><div>In this study, 4,5-dicyano-1,2-phenylene dinicotinate compound was obtained as a result of the reaction of 4,5-dichlorophthalonitrile and nicotinic acid. This compound was reacted with the zinc chloride salt to obtain the original zinc phthalocyanine compound bearing 1,2-phenylene bis(3-chloropropanoate) substituted groups. This compound and its starting material were characterized with the assist of <sup>1</sup>H NMR, IR, UV–vis, Mass spectrum. In the docking study of compounds (<strong>3</strong>) and (<strong>4</strong>) against each target (AChE, BChE, α-Amy and α-Gly), Zn complex (<strong>4</strong>) exhibits more binding affinity with the target models considered compared to ligand structure (<strong>3</strong>). Especially, AChE protein and complex (<strong>4</strong>) form the best binding affinity with a binding energy value of −10.55 kcal/mol. They are compatible and supportive with the data obtained as a result of in vitro analysis. These 4,5-dicyano-1,2-phenylene dinicotinate (<strong>3</strong>) and 2, 10, 16, 24 – tetrakis 1,2-phenylene bis(3-chloropropanoate) phthalocyaninato) zinc(II) (<strong>4</strong>) complexes had effective inhibition against α-glucosidase, α-amylase, butyrylcholinesterase and AChE. Also, IC<sub>50</sub> amounts were found as 7.84 and 12.36 µM for AChE, 3.80 and 4.56 µM for BChE, 27.08 and 38.14 µM for α-amylase, and 5.30 and 9.73 µM for α-glucosidase.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"264 ","pages":"Article 117251"},"PeriodicalIF":2.4,"publicationDate":"2024-10-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142437528","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":"Palladium(II) complexes comprising thiazole-hydrazone Schiff base ligand: Synthesis, structure and catalytic activity in Suzuki-Miyaura coupling reactions","authors":"Zahra Bagheri , Massomeh Ghorbanloo , Rahman Bikas , Tadeusz Lis","doi":"10.1016/j.poly.2024.117245","DOIUrl":"10.1016/j.poly.2024.117245","url":null,"abstract":"<div><div>The reaction of PdCl<sub>2</sub> and Pd(OAc)<sub>2</sub> with (<em>E</em>)-2-(2-(pyridin-2-ylmethylene)hydrazinyl)benzo[<em>d</em>]thiazole (<strong>HL</strong>) in methanol resulted in the formation of two neutral mononuclear Pd(II) complexes. By using PdCl<sub>2</sub> two kinds of crystals with general formula of [Pd(Cl)L]·0.5(C<sub>2</sub>H<sub>5</sub>OH) (<strong>1a</strong>) and [Pd(Cl)L] (<strong>1b</strong>) were obtained while Pd(OAc)<sub>2</sub> gave one type of crystal with general formula of [Pd(OAc)L]·0.5(H<sub>2</sub>O) (<strong>2</strong>). These complexes were characterized using spectroscopic methods, and their molecular structures were determined by single crystal X-ray diffraction analysis. In these complexes, the ligand coordinates to the Pd(II) core through the nitrogen atoms of the thiazole ring, pyridine ring, and imine moiety, acting as tridentate mononegative NNN donor ligand. These palladium(II) complexes were also found to exhibit catalytic activity in Suzuki-Miyaura coupling reactions.</div></div>","PeriodicalId":20278,"journal":{"name":"Polyhedron","volume":"264 ","pages":"Article 117245"},"PeriodicalIF":2.4,"publicationDate":"2024-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142416252","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}