Inorganics最新文献_第5页

Crystallographic Structure and Quantum-Chemical Analysis of Biologically Active Co(III)-Pyridoxal–Isothiosemicarbazone Complex 具有生物活性的 Co(III)-Pyridoxal-Isothiosemicarbazone 复合物的晶体结构和量子化学分析

IF 2.9 4区化学

Inorganics Pub Date : 2023-12-01 DOI: 10.3390/inorganics11120466

Fahad Abdulaziz, K. Alabbosh, Odeh Abdullah Odeh Alshammari, Wasan Mohammed Bin Tuwalah, Tahani Y. A. Alanazi, Aleksandra Rakić, Miljan Barić, Milica Marković, V. Jevtović, D. Dimić

{"title":"Crystallographic Structure and Quantum-Chemical Analysis of Biologically Active Co(III)-Pyridoxal–Isothiosemicarbazone Complex","authors":"Fahad Abdulaziz, K. Alabbosh, Odeh Abdullah Odeh Alshammari, Wasan Mohammed Bin Tuwalah, Tahani Y. A. Alanazi, Aleksandra Rakić, Miljan Barić, Milica Marković, V. Jevtović, D. Dimić","doi":"10.3390/inorganics11120466","DOIUrl":"https://doi.org/10.3390/inorganics11120466","url":null,"abstract":"Semicarbazones and their transition metal complexes have been investigated as biologically active compounds. This study explores the synthesis, X-ray crystallographic structure, and characterization of a novel Co(III) complex cation with a pyridoxal-isothiosemicarbazone (PLITSC) ligand, [Co(PLITSC-2H)(NH3)3]+. The structure of the complex was further elucidated by the elemental analysis and spectroscopic techniques (IR and UV–VIS). Hirshfeld surface analysis was applied for the investigation of intermolecular interactions governing crystal structure. Optimization was performed at the B3LYP/6-31 + G(d,p)(H,C,N,O,S)/LanL2DZ(Co) level of theory without any geometrical constraints. The selected level of theory’s applicability was proven after comparing experimental and theoretical bond lengths and angles. The antibacterial activity of the complex towards E. coli and B. subtilis was determined and qualified as moderate compared to Streptomycin. The formation of free radical species in the presence of the complex was further verified in the fluorescence microscopy measurements. The molecular docking towards neural nitric-oxide synthase in the brain has shown that the complex structure and relative distribution of ligands were responsible for the binding to amino acids in the active pocket.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":" 18","pages":""},"PeriodicalIF":2.9,"publicationDate":"2023-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138615601","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Gd2O3 Doped UO2(s) Corrosion in the Presence of Silicate and Calcium under Alkaline Conditions 碱性条件下硅酸盐和钙存在时掺杂 Gd2O3 的氧化铀（s）的腐蚀作用

IF 2.9 4区化学

Inorganics Pub Date : 2023-12-01 DOI: 10.3390/inorganics11120469

Sonia García-Gómez, J. Giménez, I. Casas, Jordi Llorca, Joan De Pablo

引用次数: 0

Solution-State Studies, X-ray Structure Determination and Luminescence Properties of an Ag(I) Heteroleptic Complex Containing 2,9-Bis(styryl)-1,10-phenanthroline Derivative and Triphenylphosphine 含 2,9-双（苯乙烯基）-1,10-菲罗啉衍生物和三苯基膦的 Ag(I) 异质配合物的溶液态研究、X 射线结构测定和发光特性

IF 2.9 4区化学

Inorganics Pub Date : 2023-12-01 DOI: 10.3390/inorganics11120467

Dimitrios Glykos, J. Plakatouras, G. Malandrinos

{"title":"Solution-State Studies, X-ray Structure Determination and Luminescence Properties of an Ag(I) Heteroleptic Complex Containing 2,9-Bis(styryl)-1,10-phenanthroline Derivative and Triphenylphosphine","authors":"Dimitrios Glykos, J. Plakatouras, G. Malandrinos","doi":"10.3390/inorganics11120467","DOIUrl":"https://doi.org/10.3390/inorganics11120467","url":null,"abstract":"A novel heteroleptic Ag(I) compound, formulated as [AgL(PPh3)]BF4 (1) (where L represents 2,9-bis((E)-4-methoxystyryl)-1,10-phenanthroline and PPh3 stands for triphenylphosphine), was successfully synthesized and thoroughly characterized. The compound’s stability in solution was confirmed through 1D and 2D nuclear magnetic resonance (NMR). The photo-irradiation of the complex in a CDCl3 solution, utilizing a common portable UV lamp emitting at λ = 365 nm, led to the partial transformation of the E,E-geometric isomer to E,Z, ultimately yielding a 1:1.4 molar ratio of isomers. Its molecular structure was determined via X-ray crystallography, while molecular packing was assessed using Hirshfeld calculations. The most notable interactions (51%) within the cationic inner sphere involved H···H bonds. The photophysical characteristics of the complex and L were evaluated both in the solid state and in solution (dichloromethane). Compound 1 is a weak emitter, with photoluminescence quantum yields of 8.6% and 4.3% in solution and the solid state, respectively.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":" 31","pages":""},"PeriodicalIF":2.9,"publicationDate":"2023-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138617578","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Integration of CO2 Capture and Conversion by Employing Metal Oxides as Dual Function Materials: Recent Development and Future Outlook 利用金属氧化物作为双功能材料实现二氧化碳捕集与转化一体化：近期发展与未来展望

IF 2.9 4区化学

Inorganics Pub Date : 2023-11-30 DOI: 10.3390/inorganics11120464

Wei Jie Tan, Poernomo Gunawan

{"title":"Integration of CO2 Capture and Conversion by Employing Metal Oxides as Dual Function Materials: Recent Development and Future Outlook","authors":"Wei Jie Tan, Poernomo Gunawan","doi":"10.3390/inorganics11120464","DOIUrl":"https://doi.org/10.3390/inorganics11120464","url":null,"abstract":"To mitigate the effect of CO2 on climate change, significant efforts have been made in the past few decades to capture CO2, which can then be further sequestered or converted into value-added compounds, such as methanol and hydrocarbons, by using thermochemical or electrocatalytic processes. However, CO2 capture and conversion have primarily been studied independently, resulting in individual processes that are highly energy-intensive and less economically viable due to high capital and operation costs. To enhance the overall process efficiency, integrating CO2 capture and conversion into a single system offers an opportunity for a more streamlined process that can reduce energy and capital costs. This strategy can be achieved by employing dual function materials (DFMs), which possess the unique capability to simultaneously adsorb and convert CO2. These materials combine basic metal oxides with active metal catalytic sites that enable both sorption and conversion functions. In this review paper, we focus on the recent strategies that utilize mixed metal oxides as DFMs. Their material design and characteristics, reaction mechanisms, as well as performance and limitations will be discussed. We will also address the challenges associated with this integrated system and attempt to provide insights for future research endeavors.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":"40 1","pages":""},"PeriodicalIF":2.9,"publicationDate":"2023-11-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139200458","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Use of the Asymmetrical Chelating N-Donor 2-Imino-Pyridine as a Redox [Fe4S4] Cubane Surrogate at a Di-Iron Site Related to [FeFe]-Hydrogenases 在与[FeFe]-氢化酶有关的二铁位点使用不对称螯合 N-供体 2-氨基吡啶作为氧化还原[Fe4S4]库班代用品

IF 2.9 4区化学

Inorganics Pub Date : 2023-11-29 DOI: 10.3390/inorganics11120463

Andrea Mele, F. Arrigoni, L. De Gioia, C. Elléouet, F. Pétillon, P. Schollhammer, Giuseppe Zampella

引用次数: 0

Copper Oxide Nanoparticles Synthesized from Indigofera linnaei Ali and This Plant’s Biological Applications 阿里靛蓝合成的纳米氧化铜及其生物应用

IF 2.9 4区化学

Inorganics Pub Date : 2023-11-28 DOI: 10.3390/inorganics11120462

Nadarajan Prathap, Nagarajan Dravid, Srinivasan R. Kaarmukhilnilavan, M. Shivakumar, S. Venkatesan, M. Shaik, Baji Shaik

{"title":"Copper Oxide Nanoparticles Synthesized from Indigofera linnaei Ali and This Plant’s Biological Applications","authors":"Nadarajan Prathap, Nagarajan Dravid, Srinivasan R. Kaarmukhilnilavan, M. Shivakumar, S. Venkatesan, M. Shaik, Baji Shaik","doi":"10.3390/inorganics11120462","DOIUrl":"https://doi.org/10.3390/inorganics11120462","url":null,"abstract":"The leaf extract of Indigofera linnaei Ali, an Indian medicinal plant, was utilized in the synthesis of copper oxide nanoparticles (CuO-NPs). Green chemistry is a safe and cost-effective method for the synthesis of nanoparticles using plant extracts. The synthesis of CuO NPs was confirmed using ultraviolet–visible (UV-visible) spectrum λ-max data with two peaks at 269 and 337 nm. Different functional groups were identified using Fourier-transform infrared spectroscopy (FT-IR). X-ray diffraction (XRD) was used to confirm the crystalline structure of the CuO-nanoparticles. Scanning electron microscopy (SEM) and energy dispersive X-ray (EDX) analyses were performed to examine the surface morphology and elemental composition of the biosynthesized CuO-NPs. Furthermore, the synthesized CuO-NPs exhibited antibacterial activity against Staphylococcus aureus, Pseudomonas aeruginosa, Escherichia coli, and Enterococcus faecalis. Additionally, they exhibited a good insecticidal effect on Culex quinquefasciatus larvae, with low LC50 55.716 µg/mL and LC90 123.657 µg/mL values. The CuO-NPs inhibited human breast cancer cells in a concentration-dependent manner, with an IC50 value of 63.13 µg/mL.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":"127 1","pages":""},"PeriodicalIF":2.9,"publicationDate":"2023-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139227045","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Synthesis, Structural, and Quantum Chemical Analysis of Neutral and Cationic Ruthenium(II) Complexes with Nicotinate-Polyethylene Glycol Ester Ligands 烟酸-聚乙二醇酯配体的中性和阳离子钌（II）配合物的合成、结构和量子化学分析

IF 2.9 4区化学

Inorganics Pub Date : 2023-11-27 DOI: 10.3390/inorganics11120460

D. Dimić, Thomas Eichhorn, D. Milenkovic, Goran N. Kaluđerović

{"title":"Synthesis, Structural, and Quantum Chemical Analysis of Neutral and Cationic Ruthenium(II) Complexes with Nicotinate-Polyethylene Glycol Ester Ligands","authors":"D. Dimić, Thomas Eichhorn, D. Milenkovic, Goran N. Kaluđerović","doi":"10.3390/inorganics11120460","DOIUrl":"https://doi.org/10.3390/inorganics11120460","url":null,"abstract":"Ruthenium(II/III)-based compounds have gained significant interest due to the biocompatibility of ruthenium, its similarity to iron, and the possibility for structural diversification through the choice of ligands. In this contribution, two novel ligands, (2-(2-methoxyethoxy)ethyl nicotinate hydrochloride) and (2-[2-(2-methoxyethoxy)ethoxy]ethyl nicotinate hydrochloride) (pyCOO(CH2CH2O)nCH3: L2, n = 2; L3, n = 3), were synthesized and characterized via ESI-HRMS, as well as IR and NMR spectroscopies. Their structures were optimized at the B3LYP/6-311++G(d,p) level of theory, and NMR chemical shifts were predicted, along with the most important intramolecular interactions. Additionally, two neutral complexes of the general formula [RuCl2(η6-p-cym) (L-κN)] (L = L2: 2; L3: 3) and two cationic complexes of the general formula [RuCl(η6-p-cym)(L-κN)2][PF6] (L = L1: 4; L2: 5) were obtained and characterized. The optimization of the structures was performed at the B3LYP/6-31+G(d,p)(H,C,N,O,Cl)/LanL2DZ(Ru) level of theory. Structural features were described, and intramolecular stabilization interactions were outlined.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":"121 1","pages":""},"PeriodicalIF":2.9,"publicationDate":"2023-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139229770","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Study of the Cyanide Leaching of Gold from Low-Grade Raw Materials in the Presence of Amino Acids 在氨基酸存在的情况下从低级原料中氰化浸出金的研究

IF 2.9 4区化学

Inorganics Pub Date : 2023-11-27 DOI: 10.3390/inorganics11120461

B. Kenzhaliyev, T. Surkova, A. Koizhanova, D. Yessimova, Leila Amanzholova, Z. Dosymbayeva

引用次数: 0

Positive Influence of Oxalate and Cyanate on the Supercapacitance Performance of V/Co 2D-Nanolayered Structures 草酸盐和氰酸盐对 V/Co 二维纳米层结构超级电容性能的积极影响

IF 2.9 4区化学

Inorganics Pub Date : 2023-11-26 DOI: 10.3390/inorganics11120458

O. Saber, S. Ansari, N. Parveen, N. Shaalan, A. Osama, Mostafa Osama

{"title":"Positive Influence of Oxalate and Cyanate on the Supercapacitance Performance of V/Co 2D-Nanolayered Structures","authors":"O. Saber, S. Ansari, N. Parveen, N. Shaalan, A. Osama, Mostafa Osama","doi":"10.3390/inorganics11120458","DOIUrl":"https://doi.org/10.3390/inorganics11120458","url":null,"abstract":"Two-dimensional (2D) nanolayered and nanohybrid structures, which are composed of different species of organic anions and multi-valence inorganic cations, are considered favorable in the field of energy storage for use as supercapacitors. In this study, host–guest interactions were used to build a series of these nanohybrids. The host was the layered double hydroxides of vanadium–cobalt (V/Co) nanolayers with different molar ratios. Cyanate was used as a guest to design a V/Co supercapacitor with a 2D-nanolayered structure. In addition, oxalate was used as a new additive to improve the performance of the V/Co supercapacitor. X-ray diffraction, infrared spectroscopy, thermal analyses, and scanning electron microscopy confirmed the formation of the nanolayered structures of cyanate-V/Co. In the case of the oxalate-V/Co nanostructures, a new phase of cobalt oxalate was produced and combined with the nanolayered structure to build a 3D porous structure. A three-assembly electrode system was used to study the electrochemical supercapacitive behavior of the cyanate-V/Co and oxalate-V/Co nanolayered structures. The results indicated that the OXVC-20 electrode possessed the highest specific capacitance as compared to that of the OXVC-16 and CNOVC electrodes. An excellent stability performance of up to 91% after various charge–discharge cycles was detected for the optimum case. Because of the positive effect of oxalate on the supercapacitance performance of the V/Co supercapacitor, it is suggested as a new track for building active electrodes for high-performance supercapacitor applications.","PeriodicalId":13572,"journal":{"name":"Inorganics","volume":"6 1","pages":""},"PeriodicalIF":2.9,"publicationDate":"2023-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139235507","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Combined Effect of Halogenation and SiO2 Addition on the Li-Ion Conductivity of LiBH4 卤化和添加 SiO2 对 LiBH4 的锂离子传导性的综合影响

IF 2.9 4区化学

Inorganics Pub Date : 2023-11-26 DOI: 10.3390/inorganics11120459

Valerio Gulino, Laura M. de Kort, P. Ngene, Petra de Jongh, Marcello Baricco

引用次数: 0