Transition Metal Chemistry最新文献

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Exploring the potential of platinum nanoparticles: fabrication, characterization and biomedical potential 探索铂纳米颗粒的潜力:制造、表征和生物医学潜力
IF 1.7 4区 化学
Transition Metal Chemistry Pub Date : 2025-11-11 DOI: 10.1007/s11243-025-00697-9
Thiruvenkadam Mahendiran, Karan Selvaraju, Grace Shaji Chittilappilly
{"title":"Exploring the potential of platinum nanoparticles: fabrication, characterization and biomedical potential","authors":"Thiruvenkadam Mahendiran,&nbsp;Karan Selvaraju,&nbsp;Grace Shaji Chittilappilly","doi":"10.1007/s11243-025-00697-9","DOIUrl":"10.1007/s11243-025-00697-9","url":null,"abstract":"<div><p>Platinum nanoparticles (PtNPs) have emerged as versatile materials with applications spanning catalysis, industry, and biomedicine. Their high surface area, catalytic efficiency, and tunable physicochemical properties enable use in photochemical processes, catalytic converters, biosensing, and therapeutic platforms. In biomedical research, PtNPs exhibit antibacterial, antioxidant, and anticancer activities, making them promising candidates for diagnostics and targeted therapies. This review critically examines recent advances in PtNP synthesis using physical, chemical, and biological approaches, highlighting their respective advantages, limitations, and scalability considerations. Special attention is given to green synthesis strategies employing biological templates as reducing and stabilizing agents. We also summarize characterization techniques and discuss current understanding of PtNP toxicity from in vitro and in vivo studies. Finally, we evaluate biomedical applications, including drug delivery, imaging, and combination cancer therapies, outlining key challenges and research priorities for translating PtNP-based technologies into safe and effective clinical tools. This review critically examines synthesis methods, toxicity concerns, and biomedical applications of PtNPs, highlighting current challenges and opportunities to advance their clinical and industrial utility.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":803,"journal":{"name":"Transition Metal Chemistry","volume":"51 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145479562","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, Characterization, Antibacterial Activity, and Molecular Docking of a Furan-Based Schiff Base Molybdenum(VI) Dioxo Complex 呋喃基希夫碱钼(VI)二氧配合物的合成、表征、抗菌活性及分子对接
IF 1.7 4区 化学
Transition Metal Chemistry Pub Date : 2025-11-10 DOI: 10.1007/s11243-025-00690-2
Sathish Kumar Kurapati, Saladi Nirupama, Yadaiah Salwadi, Kesavarao Sykam
{"title":"Synthesis, Characterization, Antibacterial Activity, and Molecular Docking of a Furan-Based Schiff Base Molybdenum(VI) Dioxo Complex","authors":"Sathish Kumar Kurapati,&nbsp;Saladi Nirupama,&nbsp;Yadaiah Salwadi,&nbsp;Kesavarao Sykam","doi":"10.1007/s11243-025-00690-2","DOIUrl":"10.1007/s11243-025-00690-2","url":null,"abstract":"<div><p>One pot reaction mixture of Salicylaldehyde, furfural amine, and further addition of <i>cis</i>-[MoO<sub>2</sub>(acac)<sub>2</sub>] in ethanol yielded <i>cis</i>-[MoO<sub>2</sub>L<sub>2</sub>] type complex, <i>cis</i>-[MoO<sub>2</sub>(Sal-Fa)<sub>2</sub>], where Sal-Fa stands for the deprotonated condensate of salicylaldehyde and furfural amine, (2-[(E)-{[(oxolan-2-yl)methyl]imino}methyl]phenolate). The yellow-colored crystals obtained by slow evaporation of the reaction mixture were used to collect single-crystal X-ray diffraction data, and the structure of the complex was elucidated. Further, the complex, <i>cis</i>-[MoO<sub>2</sub>(Sal-Fa)<sub>2</sub>], was characterized by various spectroscopic techniques such as FTIR, UV-visible, <sup>1</sup>H-NMR, and <sup>13</sup>C-NMR. The results were consistent with the molecular structure determined by single-crystal X-ray diffraction data. The cyclic voltammogram of the complex shows an irreversible one-electron reduction response at − 1025 mV for the Mo(VI) to Mo(V) reduction. <i>cis</i>-[MoO<sub>2</sub>(Sal-Fa)<sub>2</sub>] shows antibacterial activity against <i>Staphylococcus sp</i> (Gram-positive bacteria) and <i>Klebsiella</i> (Gram-negative bacteria). The minimum inhibitory concentrations were 5 mg/mL and 7.5 mg/mL, respectively. Furthermore, molecular docking studies against Glucosamine-6-phosphate synthase (GlcN-6-P), a crucial bacterial and fungal enzyme target, showed an excellent binding free energy of -9.02 kcal/mol, where the standard antibiotic streptomycin binding free energy is -5.72 kcal/mol. These findings highlight the potential of furan-based Schiff-base molybdenum complexes as scaffolds for developing new therapeutic agents with enhanced biological activity.</p></div>","PeriodicalId":803,"journal":{"name":"Transition Metal Chemistry","volume":"51 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145479542","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
Electrochemical sensing of hydrogen peroxide at multinuclear Ag(I) complex electrodes doped with carbon paste based on nitrogen heterocyclic ligand 过氧化氢在掺杂氮杂环配体碳糊的多核Ag(I)配合物电极上的电化学传感
IF 1.7 4区 化学
Transition Metal Chemistry Pub Date : 2025-11-10 DOI: 10.1007/s11243-025-00696-w
Quanlong Cai, Rongrong Gao, Yuanyue Ma, Junjie Teng, Huilu Wu
{"title":"Electrochemical sensing of hydrogen peroxide at multinuclear Ag(I) complex electrodes doped with carbon paste based on nitrogen heterocyclic ligand","authors":"Quanlong Cai,&nbsp;Rongrong Gao,&nbsp;Yuanyue Ma,&nbsp;Junjie Teng,&nbsp;Huilu Wu","doi":"10.1007/s11243-025-00696-w","DOIUrl":"10.1007/s11243-025-00696-w","url":null,"abstract":"<div><p>Two new Ag(I) complexes, [Ag<sub>3</sub>(Me-bba)<sub>3</sub>(trimesate)]·3C<sub>2</sub>H<sub>5</sub>OH (<b>1</b>) [Ag<sub>2</sub>(Me-bba)<sub>2</sub>(terephthalate)]·2H<sub>2</sub>O (<b>2</b>) (Me-bba = 1,3-bis[(<i>N</i>-methylbenzimidazole)methylene]-2-aniline), were synthesized and characterized. Structural analysis shows that the two complexes are trinuclear fan-shaped and binuclear centrosymmetric structures, respectively. The electrochemical sensing properties of two composite electrodes (CE-1 and CE-2) prepared from two multinuclear Ag(I) complexes were investigated using chronoamperometry (CA) in 0.2 M PBS (pH = 6) for hydrogen peroxide. The results manifest that the two composite electrodes (CE-1 and CE-2) exhibit good linear responses to hydrogen peroxide in the concentration ranges of 0.5 µM ~ 50 µM and 0.1 mM ~ 4 mM. The CE-1 and CE-2 show high sensitivities of 188.11 and 4.07 µA·mM⁻¹·cm⁻², and low detection limits (S/<i>N</i> = 3) of 0.21 and 0.38 µM, respectively. The sensing performance of CE-1 is better than that of CE-2, because there are more active centers and greater deformability of Ag(I) in complex <b>1</b>. Moreover, the two sensors have excellent stability, selectivity, fast response time (≤ 3 s), and the recoveries of CE-1 in the actual sample detection are 98.6% to 104.0%.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div><p>Two new Ag(I) complexes were synthesized and characterized. The electrochemical sensing properties of two composite electrodes (CE-1 and CE-2) prepared from two multinuclear Ag(I) complexes were investigated using chronoamperometry (CA) in 0.2 M PBS (pH = 6) for hydrogen peroxide. The two composite electrodes demonstrated excellent electrochemical sensing of performance for H<sub>2</sub>O<sub>2</sub> with the high sensitivity of 188.11 (CE-1) and 4.07 (CE-2) µA·mM<sup>− 1</sup>·cm<sup>− 2</sup>. Moreover, the two sensors have excellent stability, selectivity, fast response time (≤ 3 s), and the recoveries of CE-1 in the actual sample detection are 98.6% to 104.0%.</p></div>","PeriodicalId":803,"journal":{"name":"Transition Metal Chemistry","volume":"51 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145479547","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
Development and optimisation of titanium-based lithium-ion sieves through solid-state synthesis for high-efficiency Brine lithium recovery 基于固相合成的高效卤水锂回收钛基锂离子筛的开发与优化
IF 1.7 4区 化学
Transition Metal Chemistry Pub Date : 2025-11-10 DOI: 10.1007/s11243-025-00693-z
Vincent Sutresno Hadi Sujoto, Agus Prasetya,  Sutijan, Widi Astuti, Siti Nurul Aisyiyah Jenie, Ferian Anggara, Himawan Tri Bayu Murti Petrus
{"title":"Development and optimisation of titanium-based lithium-ion sieves through solid-state synthesis for high-efficiency Brine lithium recovery","authors":"Vincent Sutresno Hadi Sujoto,&nbsp;Agus Prasetya,&nbsp; Sutijan,&nbsp;Widi Astuti,&nbsp;Siti Nurul Aisyiyah Jenie,&nbsp;Ferian Anggara,&nbsp;Himawan Tri Bayu Murti Petrus","doi":"10.1007/s11243-025-00693-z","DOIUrl":"10.1007/s11243-025-00693-z","url":null,"abstract":"<div><p>The growing global demand for lithium, driven by its pivotal role in lithium-ion batteries (LIBs) for electric vehicles and renewable energy storage, necessitates the development of efficient and sustainable recovery strategies. This study introduces a systematic optimisation approach for synthesising titanium-based lithium-ion sieves (Li<sub>2</sub>TiO<sub>3</sub>/LTO) via a solid-state reaction using TiO<sub>2</sub> and Li<sub>2</sub>CO<sub>3</sub> as precursors, followed by delithiation to produce H<sub>2</sub>TiO<sub>3</sub> (HTO). The effects of calcination temperature, heating rate, and Li/Ti molar ratio on structural and functional properties were systematically investigated. Optimal synthesis conditions (Li/Ti ratio 2.0, 850 °C, 9 °C/min) yielded an adsorption capacity of ~ 65 mg/g. Advanced characterisation (XRD, SEM, FTIR, ICP-OES, PSA) confirmed phase purity, nanoscale morphology, and successful delithiation. Kinetic modelling identified the three-dimensional diffusion (Jander) model as most appropriate, with activation energy and pre-exponential factors increasing at higher Li/Ti ratios. Reusability testing demonstrated that HTO outperformed Mn-based sieves, maintaining 55 mg/g after 10 cycles with a Ti dissolution rate of 2.5%. An economic assessment further highlighted the lower operational cost and environmental burden of Ti-based sieves compared to Mn-based alternatives. Overall, the optimised HTO exhibits high adsorption capacity, superior cyclic stability, and economic feasibility, positioning it as a strong candidate for scalable and sustainable lithium recovery from brine.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><img></picture></div></div></figure></div></div>","PeriodicalId":803,"journal":{"name":"Transition Metal Chemistry","volume":"51 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145479578","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
Modulating the properties of CdSe nanoclusters by transition-metal doping: a computational study 过渡金属掺杂调制CdSe纳米团簇性质的计算研究
IF 1.7 4区 化学
Transition Metal Chemistry Pub Date : 2025-11-10 DOI: 10.1007/s11243-025-00694-y
Jyoti Singh, Rakhi Thareja, Rita Kakkar
{"title":"Modulating the properties of CdSe nanoclusters by transition-metal doping: a computational study","authors":"Jyoti Singh,&nbsp;Rakhi Thareja,&nbsp;Rita Kakkar","doi":"10.1007/s11243-025-00694-y","DOIUrl":"10.1007/s11243-025-00694-y","url":null,"abstract":"<div><p>We report a comprehensive density functional theory (DFT) study of transition-metal (TM) doped (CdSe)₁₃ nanoclusters, focusing on structural stability, bonding, electronic structure, and magnetism. Substitution of Cd by Mn, Fe, Co, Ni, Cu, Zn, and Hg is examined at two distinct sites. Substitution energies and vibrational frequency analyses confirm that all doped clusters are stable minima, while short molecular dynamics simulations at 300 K verify their dynamical robustness. Bond length and Mayer bond order analyses reveal a systematic progression from ionic (Mn) to covalent (Co, Ni, Cu) bonding, with Zn and Hg behaving as nearly inert <i>d</i>¹⁰ dopants. Hirshfeld charges and magnetic moments corroborate this classification, showing strong correlation between charge transfer, bonding covalency, and magnetic spin states. Electronic analysis demonstrates that TM substitution generally narrows the HOMO–LUMO gap relative to pristine (CdSe)₁₃ (~ 2.3 eV), enhancing conductivity via LUMO stabilization. Mn and Fe retain relatively large gaps (~ 1.2 eV), Co and Ni reduce gaps below 1 eV, and Cu produces the most dramatic narrowing (0.41 eV, Type A). Zn and Hg preserve host-like gaps (&gt; 2 eV), consistent with minimal <i>d–p</i> hybridization. Partial density of states (PDOS) confirm that gap modulation arises from dopant <i>d</i>-orbital participation. These findings establish clear structure–property relationships in TM-doped CdSe nanoclusters, with implications for their design in optoelectronic and spintronic applications.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":803,"journal":{"name":"Transition Metal Chemistry","volume":"51 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145479540","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
2D montmorillonite-supported Ga-doped In-MOF composite for high-efficiency photocatalytic degradation of tetracycline 二维蒙脱石负载的掺ga In-MOF复合材料用于四环素的高效光催化降解
IF 1.7 4区 化学
Transition Metal Chemistry Pub Date : 2025-11-10 DOI: 10.1007/s11243-025-00695-x
Xueying Ma, Guomin Yu, Yinghua Li, Hui Li, Hongfang Wang, Xu Jia, Tiebing Cui
{"title":"2D montmorillonite-supported Ga-doped In-MOF composite for high-efficiency photocatalytic degradation of tetracycline","authors":"Xueying Ma,&nbsp;Guomin Yu,&nbsp;Yinghua Li,&nbsp;Hui Li,&nbsp;Hongfang Wang,&nbsp;Xu Jia,&nbsp;Tiebing Cui","doi":"10.1007/s11243-025-00695-x","DOIUrl":"10.1007/s11243-025-00695-x","url":null,"abstract":"<div><p>To address the challenge of antibiotic residue remediation, this study employed a hydrothermal method to in-situ construct a bimetallic indium/gallium-based MIL-68 heterostructure on the surface of two-dimensional montmorillonite (MMT). By integrating metal node electronic structure regulation with interface engineering strategies, it provides a feasible approach to improve the low charge carrier separation efficiency in metal-organic framework (MOFs) materials. Experimental results demonstrate that when the MMT loading is 20%, the composite material exhibits obvious enhanced photocatalytic performance for the degradation of 40 mg/L tetracycline solution, with a degradation rate of up to 97% within 60 min using 10 mg of catalyst. This improvement is attributed to the synergistic effect of In/Ga bimetals and the interface charge transfer channels of the MMT 2D matrix, which together induce a Z-type charge carrier migration mechanism, enhancing the separation efficiency of photo-induced electron-hole pairs. After four cycles, the MIL-68(In/Ga)/MMT composite showed good cycling stability and demonstrated broad-spectrum degradation capability, achieving degradation rates of 99% and 79% for rhodamine B and methyl orange, respectively. This composite material shows good photocatalytic performance in dye degradation, providing new research insights for the field of photocatalytic degradation of pollutants.</p></div>","PeriodicalId":803,"journal":{"name":"Transition Metal Chemistry","volume":"51 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145479543","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
Spectroscopic and biological investigations of a thiourea-derived turn-on sensor for Hg2+ detection and its antimicrobial activity 硫脲衍生Hg2+检测传感器的光谱和生物学研究及其抑菌活性
IF 1.7 4区 化学
Transition Metal Chemistry Pub Date : 2025-11-10 DOI: 10.1007/s11243-025-00689-9
Alaa Shafie, Mohammed Fareed Felemban, Faris J. Tayeb, Amal Adnan Ashour
{"title":"Spectroscopic and biological investigations of a thiourea-derived turn-on sensor for Hg2+ detection and its antimicrobial activity","authors":"Alaa Shafie,&nbsp;Mohammed Fareed Felemban,&nbsp;Faris J. Tayeb,&nbsp;Amal Adnan Ashour","doi":"10.1007/s11243-025-00689-9","DOIUrl":"10.1007/s11243-025-00689-9","url":null,"abstract":"<div><p>In this study, a novel thiourea derivative, <b>TH3</b>, was synthesized and structurally characterized using FTIR and <sup>1</sup>H NMR spectroscopy. The fluorescence sensing behavior of <b>TH3</b> was explored against a series of metal ions. Among all tested ions, <b>TH3</b> exhibited a distinct and highly selective “turn-on” fluorescence response exclusively toward Hg<sup>2+</sup> ions. This fluorescence enhancement is attributed to the formation of a stable <b>TH3</b>-Hg<sup>2+</sup> complex. The Job’s plot confirmed a 1:2 binding stoichiometry between <b>TH3</b> and Hg<sup>2+</sup>. The limit of detection (LOD) and limit of quantification (LOQ) for <b>TH3</b> were calculated to be 0.0093 ppm (0.0465 µM) and 0.031 ppm, respectively., indicating a high sensitivity suitable for trace-level detection. The practical applicability of <b>TH3</b> was validated by analyzing various environmental water samples (pond water, drinking water, lake water, and river water) and biological samples (human urine and blood serum), achieving excellent recovery rates ranging from 91.0 ± 0.49% to 102.2 ± 0.75%, demonstrating its reliability and robustness in complex matrices. Furthermore, the antimicrobial activity of both the free <b>TH3</b> and its Hg<sup>2+</sup> complex was evaluated, with both showing significant antimicrobial efficacy against tested bacterial and fungal strains.</p></div>","PeriodicalId":803,"journal":{"name":"Transition Metal Chemistry","volume":"51 1","pages":""},"PeriodicalIF":1.7,"publicationDate":"2025-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145479545","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
Correction: High performance of SrZrO3 perovskite with rGO composite for energy storage application 更正:用于储能应用的高性能SrZrO3钙钛矿与还原氧化石墨烯复合材料
IF 1.7 4区 化学
Transition Metal Chemistry Pub Date : 2025-10-13 DOI: 10.1007/s11243-025-00687-x
Meznah M. Alanazi, Shaimaa A. M. Abdelmohsen, Taghreed Muhammad Abdu Bahlool, Tamoor Ahmad, Hafiz Muhammad Tahir Farid, Muhammad Imran, Muhammad Abdullah
{"title":"Correction: High performance of SrZrO3 perovskite with rGO composite for energy storage application","authors":"Meznah M. Alanazi,&nbsp;Shaimaa A. M. Abdelmohsen,&nbsp;Taghreed Muhammad Abdu Bahlool,&nbsp;Tamoor Ahmad,&nbsp;Hafiz Muhammad Tahir Farid,&nbsp;Muhammad Imran,&nbsp;Muhammad Abdullah","doi":"10.1007/s11243-025-00687-x","DOIUrl":"10.1007/s11243-025-00687-x","url":null,"abstract":"","PeriodicalId":803,"journal":{"name":"Transition Metal Chemistry","volume":"50 6","pages":"1181 - 1181"},"PeriodicalIF":1.7,"publicationDate":"2025-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145335419","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
Computational insights into the inhibition of hemozoin formation by antimalarial gold(I) hybrids acting by binding free ferriheme 通过结合自由铁血红素,抗疟金(I)杂合体抑制血色素形成的计算见解
IF 1.7 4区 化学
Transition Metal Chemistry Pub Date : 2025-09-12 DOI: 10.1007/s11243-025-00684-0
G. Y. Sánchez Delgado, Frederico Henrique do C. Ferreira, Luiz Antônio S. Costa, Maribel Navarro
{"title":"Computational insights into the inhibition of hemozoin formation by antimalarial gold(I) hybrids acting by binding free ferriheme","authors":"G. Y. Sánchez Delgado,&nbsp;Frederico Henrique do C. Ferreira,&nbsp;Luiz Antônio S. Costa,&nbsp;Maribel Navarro","doi":"10.1007/s11243-025-00684-0","DOIUrl":"10.1007/s11243-025-00684-0","url":null,"abstract":"<div><p>Malaria remains a global health challenge due to the emergence and spread of drug-resistant strains, highlighting the urgent need for the development of new treatments. Gold(I) hybrids, [AuCQPQ]<sup>+</sup> (<b>Auhyb1</b>) and [AuAQPQ]<sup>+</sup> (<b>Auhyb2</b>), incorporating chloroquine (CQ), amodiaquine (AQ), and primaquine (PQ), exhibited potent antiplasmodial activity by disrupting hemozoin formation, likely through ferriheme binding. To elucidate these interactions, we employed molecular dynamics and DFT calculations to assess binding conformations and energies. Results indicate that protonated <b>Auhyb1</b> forms a clamp-type structure around ferriheme, stabilizing the formed complex via strong H-bonds and π–π stacking. Such interactions reflect a decrease in enthalpy, while the gold ion presence induces an entropy effect also favoring the association with ferriheme. <b>Auhyb2</b>, in contrast, interacts through AQ’s alcohol group coordination to iron, alongside H-bonding and π–π interactions, forming a stable alkoxide metal complex. These molecular interactions could enhance the antimalarial efficacy of conventional low-cost aminoquinoline drugs contributing to disrupt hemozoin crystallization in malaria’s parasite.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":803,"journal":{"name":"Transition Metal Chemistry","volume":"50 6","pages":"1129 - 1149"},"PeriodicalIF":1.7,"publicationDate":"2025-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145335396","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
Zn(II) complexes of a novel twisted carbon-centred non-classical scorpionate derived from bis(thiadiazole)alkanes (CH2(S-tdzMe)2): synthesis, structural characterization and protein interaction studies 由双(噻二唑)烷衍生的新型扭曲碳中心非经典蝎酸盐(CH2(S-tdzMe)2)的Zn(II)配合物:合成、结构表征和蛋白质相互作用研究
IF 1.7 4区 化学
Transition Metal Chemistry Pub Date : 2025-09-08 DOI: 10.1007/s11243-025-00682-2
Saravana Kumar Moorthy, Sarathi Natarajan, Ashok Kumar Saravana Loganathan, Anandaram Sreekanth
{"title":"Zn(II) complexes of a novel twisted carbon-centred non-classical scorpionate derived from bis(thiadiazole)alkanes (CH2(S-tdzMe)2): synthesis, structural characterization and protein interaction studies","authors":"Saravana Kumar Moorthy,&nbsp;Sarathi Natarajan,&nbsp;Ashok Kumar Saravana Loganathan,&nbsp;Anandaram Sreekanth","doi":"10.1007/s11243-025-00682-2","DOIUrl":"10.1007/s11243-025-00682-2","url":null,"abstract":"<div><p>A series of novel zinc(II) halide complexes with the versatile twisted, non-classical scorpionate ligand, bis((5-methyl-1,3,4-thiadiazol-2-yl)thio)methane (CH<sub>2</sub>(S-tdzMe)<sub>2</sub>) (1), have been synthesized and characterized. The ligand (1) reacts with ZnX<sub>2</sub> (X = Br, Cl, I) in a 1:1 molar ratio to afford the complexes [Zn(CH<sub>2</sub>(S-tdzMe)<sub>2</sub>)X<sub>2</sub>] (X = I (2), Br (3), Cl (4)). These complexes, along with the ligand, were characterized by elemental analysis, FT-IR, HRMS, UV–Vis, and multinuclear NMR spectroscopy. Single crystal X-ray diffraction studies of the ligand (1) and complex (4) revealed a tetrahedral geometry around the zinc(II) ion with the ligand coordinating in a κ2N-fashion. Preliminary interaction studies with bovine serum albumin (BSA) using fluorescence spectroscopy suggest potential protein-binding capability.</p></div>","PeriodicalId":803,"journal":{"name":"Transition Metal Chemistry","volume":"50 6","pages":"1109 - 1119"},"PeriodicalIF":1.7,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145335393","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
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