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Nanoparticles, thin films and temperature-dependent oxidation characteristics of metallic bismuth synthesized via solventless pyrolysis of bismuth(III) dithiolates: Polymorphism and photocatalytic dye degradation of bismuth sesquioxide 二硫酸铋无溶剂热解合成金属铋的纳米粒子、薄膜和温度依赖氧化特性:多晶型和倍半氧化铋的光催化染料降解
IF 5.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2026-01-10 DOI: 10.1016/j.inoche.2026.116158
Xianglong Liu , Tingting Wang , Longhua Li , Junli Wang
In this study, we report the preparation of Bi nanoparticles (NPs) and thin films via the solventless pyrolysis of bismuth(III) dithiolates (Bi2(S2CnH2n)3, n = 3, 4) at 160–220 °C, whose thermolysis features the absence of the precursor melting and finishes before the product (Bi metal) melting, and then we demonstrate their oxidation conversion to Bi2O3 NPs and thin films at different temperatures. The polymorphs and phase transitions of so-formed Bi2O3 are highly dependent on the oxidation temperature. Pure-phase β-Bi2O3 (tetragonal), formed by thermally oxidizing Bi NPs at 400 °C, will transform to α-Bi2O3 (monoclinic) by the traditionally known phase transition or β’-Bi2O3 by the c-oriented lattice thermal expansion as the oxidation temperature increases to 500 and 600 °C, which normally leads to an incomplete β → α transition and a mixed product of β’(β)/α phases. Compared to the β phase, the lattice-expanded variant β’-Bi2O3 is found to be stable at both high temperature (500–600 °C) and room temperature (RT) and to display a wide bandgap (∼3.0 eV), a narrow visible-light absorption range and thus relatively poor activity in RhB photodegradation. Moreover, Bi NPs are also found to be oxidized to bismuth oxycarbonate (Bi2O2CO3) at RT in the presence of H2O and CO2. This work opens a novel avenue to synthesize Bi and Bi2O3 NPs and thin films and presents new findings and insights regarding the phase regulation, polymorphism and photocatalytic performance of Bi2O3.
在本研究中,我们报道了在160-220℃下,通过二硫代铋酸酯(Bi2(S2CnH2n)3, n = 3,4)的无溶剂热解制备Bi纳米粒子(NPs)和薄膜,其热裂解的特点是没有前驱体熔化,在产物(Bi金属)熔化之前完成,然后我们证明了它们在不同温度下氧化转化为Bi2O3纳米粒子和薄膜。形成的Bi2O3的多晶和相变高度依赖于氧化温度。在400℃时由Bi NPs热氧化形成的纯相β-Bi2O3(四角形),随着氧化温度升高到500℃和600℃,通过传统的相变转变为α-Bi2O3(单斜),或通过C取向晶格热膨胀转变为β ' -Bi2O3,通常导致β ' (β)/α相的不完全转变和混合产物。与β相相比,晶格扩展型β′-Bi2O3在高温(500-600℃)和室温(RT)下都很稳定,并且具有较宽的带隙(~ 3.0 eV),较窄的可见光吸收范围,因此相对较差的RhB光降解活性。此外,Bi NPs还发现在H2O和CO2存在下,在RT下氧化成碳酸铋(Bi2O2CO3)。本研究为合成Bi和Bi2O3纳米颗粒和薄膜开辟了一条新途径,并在Bi2O3的相调控、多态性和光催化性能方面提出了新的发现和见解。
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引用次数: 0
Multifunctional Ni(II) coordination architecture: A unified approach to catalysis, energy storage, and fluorescent sensing 多功能Ni(II)配位结构:催化、能量存储和荧光传感的统一方法
IF 5.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2026-01-09 DOI: 10.1016/j.inoche.2026.116154
Kaviya Rajendran , Sangeedha Appusamy , Raymond J. Butcher , A. Pushpaveni , Sivakumar Sengodan , Ponnusamy Kanchana
A novel nickel(II) coordination complex, aqua-(methyl hydrazinecarboxylate)-[pyridine-2,6-dicarboxylato]‑nickel [Ni(C₇H₃NO₄)(C₂H₆N₂O₂)(H₂O)], designated as NiPDMCZ, was successfully synthesized. The structural and physicochemical features of NiPDMCZ were comprehensively characterized using UV–Visible (UV-Vis) spectroscopy, FTIR spectroscopy, mass spectrometry, TG–DTA analysis, single-crystal X-ray diffraction (S-XRD), powder X-ray diffraction (P-XRD), and Hirshfeld surface analysis. The NiPDMCZ complex belongs to the monoclinic crystal system with a Cc space group containing eight formula units (Z = 8), where the Ni(II) center manifests a distinct distorted octahedral geometry. The NiPDMCZ complex possesses a narrow HOMO–LUMO gap of 1.0888 eV, reflecting its pronounced electronic reactivity. The electrochemical behavior of NiPDMCZ was examined by employing it as an electrode material in an aqueous 3 M KOH electrolyte for supercapacitor applications. The electrode exhibited an impressive specific capacitance (409 F g−1) at 1 A g−1 of applied current density, accompanied by high energy (136.2 Wh kg−1) and power (27.8 kW kg−1) densities with 92% capacitance retention in 1000 cycles. Furthermore, the catalytic activity of the complex was examined for the reduction of picric acid in aqueous medium using NaBH₄ as the reducing agent, achieving complete reduction within 24 min under ambient conditions. In addition, NiPDMCZ functioned as a highly sensitive fluorescent “turn-off” chemosensor for the selective detection of L-cysteine (L-Cys), exhibiting a Stern–Volmer quenching constant of 4.3 × 104 M−1, indicative of a strong quenching interaction. Overall, the NiPDMCZ complex demonstrates significant promise in energy storage, catalytic reduction of environmental pollutants, and fluorescent sensing of biomolecules, positioning it as a valuable candidate for advanced materials and sustainable technological applications.
成功地合成了一种新型的镍(II)配合物水-(甲基肼羧酸盐)-[吡啶-2,6-二羧酸盐]-镍[Ni(C₇H₃NO₄)(C₂H₆N₂O₂)(H₂O)],命名为NiPDMCZ。采用紫外-可见(UV-Vis)光谱、FTIR光谱、质谱、TG-DTA分析、单晶x射线衍射(S-XRD)、粉末x射线衍射(P-XRD)和Hirshfeld表面分析等手段对NiPDMCZ的结构和物理化学特征进行了全面表征。NiPDMCZ配合物属于单斜晶系,其Cc空间群包含8个公式单元(Z = 8),其中Ni(II)中心表现出明显的畸变八面体几何形状。NiPDMCZ配合物具有1.0888 eV的窄HOMO-LUMO隙,反映了其明显的电子反应性。以NiPDMCZ为电极材料,在3 M KOH水溶液中研究了NiPDMCZ在超级电容器中的电化学性能。该电极在施加电流密度为1 A g−1时具有令人印象深刻的比电容(409 F g−1),伴随着高能量(136.2 Wh kg−1)和功率(27.8 kW kg−1)密度,在1000次循环中具有92%的电容保持率。此外,以NaBH₄为还原剂考察了该配合物在水溶液中还原苦味酸的催化活性,在正常条件下可在24 min内实现完全还原。此外,NiPDMCZ作为一种高灵敏度的荧光“关闭”化学传感器,用于选择性检测l -半胱氨酸(L-Cys),显示出Stern-Volmer猝灭常数为4.3 × 104 M−1,表明强猝灭相互作用。总的来说,NiPDMCZ复合物在能量存储、环境污染物的催化还原和生物分子的荧光传感方面具有重要的前景,将其定位为先进材料和可持续技术应用的有价值的候选者。
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引用次数: 0
Herbal carbon dots for wound healing: Bridging traditional phytomedicine with advanced Nanotherapeutics 用于伤口愈合的草药碳点:将传统的植物医学与先进的纳米疗法连接起来
IF 5.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2026-01-09 DOI: 10.1016/j.inoche.2026.116162
Muskan Leharwani , Harshita Singhai , Umme Hani , Vanitha Innocent Rani , Garima Gupta , Khang Wen Goh , Umesh Kumar Patil , Prashant Kesharwani
Chronic wounds represent a growing global health crisis, driven by complex pathophysiological mechanisms including persistent inflammation, microbial colonization, impaired angiogenesis, and oxidative tissue damage. The conventional treatment often falls short in addressing these multifactorial challenges particularly due to increasing cases antimicrobial resistance and limited capacity for targeted and adaptive interventions. Herbal carbon dots have emerged as a next-generation nanotherapeutic platform representing an elegant fusion of phytomedicine wisdom and responsiveness of modern nanotechnology. The herbal carbon nanodots are generally synthesized through eco-friendly green chemistry from diverse medicinal plant biomass. These ultrasmall, fluorescent nanoparticles retain and transform bioactive motifs properties their botanical precursors as reflected in their antimicrobial, anti-inflammatory, antioxidant, and pro-angiogenic effects, while gaining enhanced cellular uptake, aqueous solubility, and controlled therapeutic release from the nano architecture. This comprehensive review illuminates the mechanistic landscape of herbal carbon dot interventions, spanning intelligent antimicrobial strategies that circumvent resistance pathways, sophisticated stimuli-responsive designs responsive to wound microenvironments, strategic heteroatom doping for enhanced enzymatic mimicry, targeted modulation of inflammatory cascades and angiogenic pathways, and specialized formulations addressing diabetic complications, UV-damaged tissue, chemical burns, and bone-associated wounds. This review also highlights the emerging computational strategies, including machine learning and Bayesian neural networks approaches for synthesis optimization and property prediction of Carbon Nanodots.
慢性伤口是一种日益严重的全球健康危机,由复杂的病理生理机制驱动,包括持续炎症、微生物定植、血管生成受损和氧化组织损伤。常规治疗往往无法应对这些多因素挑战,特别是由于抗菌素耐药性病例不断增加以及有针对性和适应性干预措施的能力有限。草药碳点已经成为下一代纳米治疗平台,代表了植物医学智慧和现代纳米技术的反应性的优雅融合。草药碳纳米点一般是通过生态友好的绿色化学方法从多种药用植物生物质中合成的。这些超小的荧光纳米颗粒保留并转化其植物前体的生物活性基序特性,反映在它们的抗菌、抗炎、抗氧化和促血管生成作用中,同时从纳米结构中获得增强的细胞摄取、水溶性和控制的治疗释放。这篇全面的综述阐明了草药碳点干预的机制景观,包括规避耐药途径的智能抗菌策略,对伤口微环境敏感的复杂刺激反应设计,增强酶模拟的战略性杂原子掺杂,炎症级联反应和血管生成途径的靶向调节,以及针对糖尿病并发症,紫外线损伤组织,化学烧伤的专门配方。以及与骨头有关的伤口。本文还重点介绍了用于碳纳米点合成优化和性能预测的新兴计算策略,包括机器学习和贝叶斯神经网络方法。
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引用次数: 0
Synergizing structure and function: Cd(II)-pyrazine dicarboxylate MOF for enhanced dye adsorption 增效结构与功能:Cd(II)-吡嗪二羧酸MOF增强染料吸附
IF 5.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2026-01-09 DOI: 10.1016/j.inoche.2025.116111
Ruheen Khan , Abdulrahman G. Alhamzani , Mohd Zeeshan , Mohammad Yasir Khan , M. Shahid , Ehab A. Abdelrahman
Persistent organic dyes continue to pose serious threats to both the environment and public health, yet most conventional adsorbents fail to deliver adequate selectivity in multicomponent dye systems. In this study, we report the synthesis of a new cadmium-based metal–organic framework, [Cd(pzdc)(H2O)]n (RK-1), synthesized from cadmium nitrate and 2,3-pyrazine dicarboxylic acid using solvothermal route. The structure, morphology, and thermal stability of RK-1 were comprehensively characterized by Powder X-ray Diffraction (PXRD), Fourier Transform Infrared Spectroscopy (FTIR), Scanning Electron Microscopy (SEM), and Thermogravimetric Analysis (TGA). The adsorption performance of RK-1 was systematically evaluated toward a cationic dye (methylene blue, MB) and an anionic dye (methyl orange, MO). Furthermore, RK-1 displayed pronounced selectivity and superior affinity toward the cationic MB dye, achieving an experimentally observed adsorption capacity 32.51 mg g−1, compared to 30.40 mg g−1 for MO at an initial concentration of 10 ppm, with an outstanding removal efficiency of 97.5% at equilibrium. Kinetic and isotherm studies revealed that the adsorption followed a pseudo-second-order model, indicating chemisorptive interaction between the adsorbent and dye molecules. Furthermore, RK-1 retained its crystallinity and adsorption efficiency over multiple regeneration cycles, emphasizing its structural robustness and reusability. RK-1 demonstrates remarkable efficiency and charge selectivity, signifying a sustainable breakthrough for targeted removal of dyes from industrial effluents.
持久性有机染料继续对环境和公众健康构成严重威胁,然而大多数传统吸附剂在多组分染料系统中无法提供足够的选择性。本文报道了一种新的镉基金属有机骨架[Cd(pzdc)(H2O)]n (RK-1),以硝酸镉和2,3-吡嗪二羧酸为原料,采用溶剂热法合成。采用粉末x射线衍射(PXRD)、傅里叶变换红外光谱(FTIR)、扫描电镜(SEM)和热重分析(TGA)对RK-1的结构、形貌和热稳定性进行了全面表征。研究了RK-1对阳离子染料(亚甲基蓝,MB)和阴离子染料(甲基橙,MO)的吸附性能。此外,RK-1对阳离子MB染料表现出明显的选择性和优越的亲和力,实验观察到,在初始浓度为10 ppm时,RK-1的吸附容量为32.51 mg g−1,而MO的吸附容量为30.40 mg g−1,平衡时的去除效率为97.5%。动力学和等温线研究表明,吸附遵循伪二阶模型,表明吸附剂与染料分子之间存在化学吸附相互作用。此外,RK-1在多次再生循环中保持了其结晶度和吸附效率,强调了其结构稳健性和可重复使用性。RK-1表现出卓越的效率和电荷选择性,标志着工业废水中染料定向去除的可持续突破。
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引用次数: 0
Synthesis of magnetic zeolite from volcanic rock “Red Tezontle” for removal of Nickel(II) and Copper(II) ions from aqueous solution 用火山岩“红Tezontle”合成磁性沸石去除水溶液中的镍(II)和铜(II)离子
IF 5.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2026-01-09 DOI: 10.1016/j.inoche.2026.116160
A. Hernández-Palomares , F. Mares-Briones , Y. Medrano , F. Espejel-Ayala , F.J. Bacame-Valenzuela , H.N. Böhnel , R. Esparza
The use of volcanic rock “Red Tezontle” like natural minerals as precursors for magnetic zeolite synthesis has been investigated for the removal of Nickel(II) (Ni (II)) and Copper (II) (Cu (II)) ions from aqueous solutions. Magnetic zeolites were synthesized from readily available volcanic stone, utilizing a process involving alkaline fusion and hydrothermal treatment. The resulting materials were characterized using a combination of X-ray fluorescence (XRF), X-ray diffraction (XRD), Fourier Transform infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM-EDS) to determine their structural and compositional properties. The characterization results confirmed the successful formation of zeolites, with XRD analysis identifying the presence of zeolite NaA and sodalite phases. The synthesized zeolites demonstrated a notable capacity for Ni (II) and Cu (II) removal from aqueous solutions, highlighting their potential as effective and economical adsorbents for heavy metal remediation. Adsorption experiments were conducted to evaluate the Ni (II) and Cu (II) removal efficiency under various conditions. The influence of temperature, initial Ni (II) and Cu (II) concentration, contact time, and adsorbent dose on the adsorption process were studied. The maximum adsorption capacities achieved for Ni (II) and Cu (II) were 117 mg/g and 141 mg/g, respectively, indicating the promising applicability of these zeolites derived from natural minerals for wastewater treatment. This study demonstrates a sustainable approach to synthesizing zeolites for environmental applications, utilizing abundant natural resources and providing an alternative to conventional, often costly, heavy metal removal techniques. The findings contribute to the growing body of research focused on developing cost-effective and environmentally friendly solutions for water purification.
本文研究了利用火山岩“红色Tezontle”等天然矿物作为磁性沸石合成的前驱体,从水溶液中去除镍(II) (Ni (II))和铜(II) (Cu (II))离子。磁性沸石是由现成的火山石合成的,利用碱性熔融和水热处理的过程。利用x射线荧光(XRF)、x射线衍射(XRD)、傅里叶变换红外光谱(FT-IR)和扫描电子显微镜(SEM-EDS)对所得材料进行了表征,以确定其结构和成分性质。表征结果证实了沸石的成功形成,XRD分析证实了沸石NaA和钠石相的存在。所合成的沸石具有显著的去除水中Ni (II)和Cu (II)的能力,表明其作为重金属修复的有效和经济吸附剂的潜力。通过吸附实验,评价了不同条件下对Ni (II)和Cu (II)的去除效果。研究了温度、初始Ni (II)和Cu (II)浓度、接触时间和吸附剂剂量对吸附过程的影响。对Ni (II)和Cu (II)的最大吸附量分别为117 mg/g和141 mg/g,表明这些天然矿物衍生的沸石在废水处理中具有良好的适用性。这项研究展示了一种可持续的方法来合成用于环境应用的沸石,利用丰富的自然资源,并提供了一种替代传统的、通常昂贵的重金属去除技术。这些发现有助于越来越多的研究集中于开发具有成本效益和环境友好的水净化解决方案。
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引用次数: 0
Hemocompatibility and erythrocytic Re-calcification nature of Eu3+ doped Gd oxide and orthovanadate nanoparticles Eu3+掺杂氧化钆和正钒酸盐纳米颗粒的血液相容性和红细胞再钙化性质
IF 5.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2026-01-08 DOI: 10.1016/j.inoche.2026.116143
Aftab Ansari , Rafika Yasmin , Muzamil Rather , Robin Doley , Dambarudhar Mohanta
Prospective utilization of bare Eu3+ doped rare-earth (RE) based nanosystem in clinical field requires an in depth, broad, detailed and comprehensive evaluation of their biocompatibility. Considering extensive intravenous administration of RE based nanosystem, approximation of erythrocyte deformability upon nanosystem-erythrocyte interaction has proved to be essential for optimization of theranostic approaches. In this article, we present a descriptive account of consequence of erythrocytic interaction of Eu3+ doped Gd based oxide and vanadate nanosystem featuring their hemocompatibility aspects. The vanadate-based nanoparticles (NPs) displayed extremely hemocompatible nature even at concentration as high as ∼100 μg/ml. The oxide-based NPs were found to be bioviable for administration at lower concentrations of 10-25 μg/ml. SEM imaging of RBCs demonstrate the evident transformations in cell shapes at different stages upon treatment with nanostructures. Interestingly, doped vanadate-based nanostructures were determined to be pro-coagulant at higher concentrations, reducing the coagulation time from 7min (control) to ∼3min at higher concentrations. The effect of hydrodynamic size disparity in human blood plasma has been elucidated with phenomenon of formation of Plasma Protein Corona, increasing the system size up to ∼4 times. The observations signify major progress in the domain of nanoparticle-erythrocyte interaction and shall act as a viable reference for developing effective and biocompatible NPs for theranostic applications.
裸Eu3+掺杂稀土(RE)纳米体系在临床领域的应用前景,需要对其生物相容性进行深入、广泛、详细和全面的评价。考虑到基于RE的纳米系统的广泛静脉给药,纳米系统-红细胞相互作用对红细胞变形能力的近似已被证明是优化治疗方法的必要条件。在这篇文章中,我们描述了Eu3+掺杂Gd基氧化物和钒酸盐纳米系统的红细胞相互作用的结果,这些纳米系统具有血液相容性。钒酸盐基纳米颗粒(NPs)即使在高达~ 100 μg/ml的浓度下也表现出极好的血液相容性。在10-25 μg/ml的较低浓度下,氧化基NPs具有生物活性。红细胞的扫描电镜成像显示了纳米结构处理后不同阶段细胞形状的明显变化。有趣的是,掺杂的钒酸盐基纳米结构在高浓度下被确定为促凝剂,在高浓度下将凝血时间从7min(对照)减少到~ 3min。人类血浆中流体动力尺寸差异的影响已经通过血浆蛋白冠的形成现象得到阐明,该现象使系统尺寸增加了4倍。这些观察结果标志着纳米粒子-红细胞相互作用领域的重大进展,并将为开发用于治疗的有效和生物相容性NPs提供可行的参考。
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引用次数: 0
Functionalized metal oxide nanoparticles and their applications in bacterial infections, cancer treatment, and gene therapy: A review 功能化金属氧化物纳米颗粒及其在细菌感染、癌症治疗和基因治疗中的应用综述
IF 5.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2026-01-08 DOI: 10.1016/j.inoche.2026.116149
Niloufar Torabi Fard , Homayon Ahmad Panahi , Elham Reza Soltani , Elham Moniri , Mohammadreza Mahdavijalal
The research community is increasingly focused on functionalized metal oxide nanoparticles (MONPs) due to their innovative biomedical applications, which include combating bacterial infections, supporting cancer treatments, and enhancing gene delivery systems. The unique physicochemical properties of MONPs make them excellent components for designing targeted drug delivery systems (DDSs), as they offer exceptional stability, adjustable sizes and shapes, and versatile surface modification features. MONPs exhibit multiple beneficial characteristics for addressing persistent oncological challenges, as they help resolve drug resistance issues and improve drug delivery performance while reducing adverse effects associated with conventional treatments such as chemotherapy and radiotherapy. Additionally, the controlled generation of reactive oxygen species (ROS) through MONPs provides them with strong antibacterial properties, positioning them as potential solutions against drug-resistant bacterial infections. Gene therapy researchers have also adopted MONPs as efficient non-viral vectors for transporting genetic material, including DNA, CRISPR-Cas9 components, and small interfering RNA, enabling precise gene editing or silencing. The biological interactions of MONPs, along with their therapeutic effects, depend significantly on factors such as particle size, molecular shape, surface charge, and aggregation patterns, highlighting the need for careful design to ensure compatibility with biological systems while minimizing toxicological risks. A comprehensive examination of MONPs synthesis methods and functionalization techniques reveals their biomedical applications, particularly in cancer treatment, antimicrobial solutions, and gene delivery systems. Consequently, MONPs hold great potential to redefine modern medicine through enhanced performance and ongoing innovations.
由于功能化金属氧化物纳米颗粒(MONPs)在生物医学领域的创新应用,包括对抗细菌感染、支持癌症治疗和增强基因传递系统,研究界越来越关注它们。MONPs独特的物理化学性质使其成为设计靶向药物递送系统(dds)的优秀成分,因为它们具有卓越的稳定性,可调节的大小和形状,以及多种表面修饰特性。MONPs在解决持续性肿瘤挑战方面表现出多种有益特性,因为它们有助于解决耐药性问题,改善药物输送性能,同时减少与化疗和放疗等传统治疗相关的不良反应。此外,通过MONPs控制活性氧(ROS)的产生使其具有强大的抗菌性能,使其成为对抗耐药细菌感染的潜在解决方案。基因治疗研究人员还将MONPs作为高效的非病毒载体,用于运输遗传物质,包括DNA、CRISPR-Cas9组分和小干扰RNA,从而实现精确的基因编辑或沉默。MONPs的生物相互作用及其治疗效果在很大程度上取决于诸如颗粒大小、分子形状、表面电荷和聚集模式等因素,因此需要仔细设计以确保与生物系统的相容性,同时将毒理学风险降至最低。对MONPs合成方法和功能化技术的全面研究揭示了它们在生物医学上的应用,特别是在癌症治疗、抗菌溶液和基因传递系统方面。因此,monp具有通过增强性能和持续创新来重新定义现代医学的巨大潜力。
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引用次数: 0
Copper(II) complexes with naphthalene-functionalized N-salicylidene aniline schiff bases: Synthesis, crystal structures, photophysical properties and theoretical calculations 萘功能化n -水杨基苯胺席夫碱铜配合物:合成、晶体结构、光物理性质及理论计算
IF 5.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2026-01-08 DOI: 10.1016/j.inoche.2026.116152
Elizaveta V. Panova , Julia K. Voronina , Tatyana M. Burkhanova , Damir A. Safin
We report on the synthesis and characterization of two mononuclear homoleptic copper(II) complexes [Cu(LI)2] (1) and [Cu(LII)2] (2), where LI and LII are the monodeprotonated forms of N-naphth-1-ylsalicylidenimine (HLI) and N-naphth-1-yl-3-methoxysalicylidenimine (HLII), which were synthesized by condensing 1-naphthylamine with either salicylaldehyde or 3-methoxysalicylaldehyde, followed by the addition of copper acetate. Crystals of 1 and 2 suitable for X-ray diffraction were obtained, and their compositions were confirmed by elemental analysis. Spectroscopic analysis (FTIR, Raman and UV–Vis) revealed characteristic bands for the organic fragments, as well as ligand-to-metal and d-d charge transfers, with minor spectral differences between two complexes. Using thermogravimetric analysis (TGA), we found that complexes 1 and 2 decompose in an air‑argon mixture flow in two distinct steps, yielding CuO and Cu as the end products, respectively. X-ray diffraction showed that both complexes form a square planar CuN2O2 coordination core from two ligands in a trans-configuration. A key structural difference is the significant deviation of the copper atom from the coordination plane in complex 1, resulting in a “step” type distortion, which is not present in complex 2. The crystal packing in both structures is dominated by C–H⋯π interactions, forming supramolecular chains in complex 1 and 2D layers in complex 2, with no significant π⋯π interactions. Hirshfeld surface analysis confirmed that the packing is primarily stabilized by reciprocal H⋯H and H⋯C contacts. Computational studies of the optimized molecular geometries agreed with the experimental structures and provided insights into their electronic properties. The complexes were found to be soft electrophiles with good electron-accepting abilities. Molecular electrostatic potential maps identified nucleophilic and electrophilic sites consistent with the observed intermolecular interactions. Finally, molecular docking studies suggested that they have a pronounced potential as inhibitors for AChE and BChE, with complex 1 being particularly effective against BChE. Their calculated ligand efficiencies suggest they could be more potent than Memantine, a known Alzheimer's medication.
本文报道了两个单核同型铜(II)配合物[Cu(LI)2](1)和[Cu(LII)2](2)的合成和表征,其中LI和LII是n -萘-1-酰基水杨基亚胺(HLI)和n -萘-1-酰基-3-甲氧基水杨基亚胺(HLII)的单去质子化形式,它们是由1-萘胺与水杨醛或3-甲氧基水杨醛缩合,然后加入乙酸铜合成的。得到了适合x射线衍射的1和2晶体,并通过元素分析确定了它们的组成。光谱分析(FTIR, Raman和UV-Vis)揭示了有机碎片的特征波段,以及配体到金属和d-d电荷转移,两种配合物之间的光谱差异很小。通过热重分析(TGA),我们发现配合物1和2在空气-氩气混合流动中分解分为两个不同的步骤,分别产生CuO和Cu作为最终产物。x射线衍射结果表明,这两种配合物在反式构象中由两个配体形成方形平面的CuN2O2配位核。一个关键的结构差异是配合物1中铜原子与配位平面的显著偏差,导致“阶跃”型畸变,这在配合物2中不存在。这两种结构中的晶体填充都以C-H⋯π相互作用为主,在配合物1中形成超分子链,在配合物2中形成2D层,没有显著的π⋯π相互作用。Hirshfeld表面分析证实,填料主要是通过H⋯H和H⋯C的互易接触来稳定的。优化分子几何形状的计算研究与实验结构一致,并提供了对其电子性质的见解。这些配合物是具有良好电子接受能力的软亲电试剂。分子静电势图确定了亲核和亲电位点,与观察到的分子间相互作用一致。最后,分子对接研究表明,它们作为AChE和BChE抑制剂具有明显的潜力,其中复合物1对BChE特别有效。他们计算出的配体效率表明,它们可能比一种已知的阿尔茨海默病药物美金刚胺更有效。
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引用次数: 0
In vitro cytocompatibility and molecular docking studies of a pectin-Ag-TiO2 nanocomposite hydrogel for enhanced diabetic wound healing 果胶- ag - tio2纳米复合水凝胶促进糖尿病伤口愈合的体外细胞相容性和分子对接研究
IF 5.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2026-01-08 DOI: 10.1016/j.inoche.2026.116153
M. Kanagalakshmi, S. Gopika Devi, Anitha Pius
A pectin-based Ag-TiO2-Ficus carica L. biocomposite hydrogel was fabricated and evaluated for its potential in diabetic wound healing. It exhibited a uniform, porous structure with the incorporation of Ag-doped TiO2 nanoparticles within the pectin framework, as evidenced by FTIR, XRD, SEM and GC–MS analyses. The hydrogel exhibited extremely potent antibacterial activity (0.9 μg/mL) against S. aureus and E. coli, along with strong antioxidant activity (67%) and anti-inflammatory activity (79%). In addition, superior antidiabetic potential was also demonstrated through α-amylase inhibition (66.37%) and inhibition of α-glucosidase by 74.13%. Excellent hemocompatibility (2.44% hemolysis), very good viability of fibroblasts (up to 97%), and significant cell migration (wound closure by 90.73%) demonstrate overall cytocompatibility. Apart from these properties, its optimal mechanical integrity and moisture-retention ability make it a suitable candidate for treating chronic wound conditions. In brief, the Ag-TiO2-pectin composite hydrogel is an extremely promising inorganic-biopolymer hybrid system for advanced wound care in diabetes.
制备了一种基于果胶的ag - tio2 -无花果生物复合水凝胶,并对其在糖尿病伤口愈合中的潜力进行了评价。FTIR, XRD, SEM和GC-MS分析表明,果胶框架内掺杂了ag掺杂的TiO2纳米颗粒,其结构均匀多孔。该水凝胶对金黄色葡萄球菌和大肠杆菌具有很强的抗菌活性(0.9 μg/mL),同时具有很强的抗氧化活性(67%)和抗炎活性(79%)。此外,对α-淀粉酶的抑制率为66.37%,对α-葡萄糖苷酶的抑制率为74.13%。优异的血液相容性(溶血率为2.44%),非常好的成纤维细胞活力(高达97%)和显著的细胞迁移(伤口愈合率为90.73%)证明了整体的细胞相容性。除了这些特性外,其最佳的机械完整性和保湿能力使其成为治疗慢性伤口条件的合适人选。总之,ag - tio2 -果胶复合水凝胶是一种非常有前途的无机-生物聚合物混合体系,用于糖尿病的晚期伤口护理。
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引用次数: 0
Decontamination of Se (IV) ions from aqueous solution by an m-phenylenediamine-based polyvinyl chloride adsorbent: Equilibrium, kinetic and thermodynamic studies 基于间苯二胺的聚氯乙烯吸附剂去除水溶液中的硒离子:平衡、动力学和热力学研究
IF 5.4 3区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR Pub Date : 2026-01-08 DOI: 10.1016/j.inoche.2025.116078
Hussin A.M. Ahmed , Bahig M. Atia
The effectiveness of a new m-phenylenediamine-based polyvinyl chloride adsorbent (PVC-PHDA) was thoroughly studied for its ability to remove selenium ions from water, especially from drinking water containing selenium at 30 μg/L. The adsorbent was extensively characterized using various analytical techniques, confirming its successful synthesis and structural stability. Key experimental parameters, such as pH, mixing time, initial selenium concentration, amount of adsorbent, co-ion interference, temperature, and elution agents, were carefully optimized. Under optimal conditions (25 °C, pH 3, 15 min shaking, initial concentration of 150 mg/L), PVC-PHDA achieved a maximum uptake capacity of 63.2 mg/g, effectively removing up to 127 mg/L of Se4+ ions. The Langmuir isotherm model best fits the experimental data, estimating a maximum adsorption capacity of 62.11 mg/g, closely matching actual results. Kinetic analysis showed that the adsorption involved both first- and second-order mechanisms, with predicted capacities of 63.62 mg/g and 64.14 mg/g, respectively. The Dubinin-Radushkevich (D-R) treatment approved that the value of adsorption energy E (kJ/mol) is 9.805, implying that the adsorption process proceeds via chemisorption. Furthermore, the theoretical saturation capacity, qD (mg/g), is equal to 65.56 mg/g. Moreover, Temkin isotherm concluded that the value of bT is equal to 9.91, which is approximately equal to the values of the adsorption energy of the D-R isotherm. Thermodynamic analysis indicated the process was spontaneous (ΔG < 0), exothermic (ΔH = −27.12 kJ/mol), and more favorable at lower temperatures. Notably, 99 % of adsorbed selenium was successfully recovered using a 2 M H2SO4 solution, demonstrating the material's excellent regenerability. The adsorbent also showed strong selectivity among various co-ions. According to WHO and EPA guidelines, a single application of PVC-PHDA can reduce selenium levels in drinking water below the safety limit of 30 μg/L.
研究了新型间苯二胺基聚氯乙烯吸附剂(PVC-PHDA)对水中硒离子的去除效果,特别是对含硒30 μg/L的饮用水的去除效果。利用各种分析技术对该吸附剂进行了广泛的表征,证实了其合成成功和结构稳定。对pH、混合时间、初始硒浓度、吸附剂用量、共离子干扰、温度、洗脱剂等关键实验参数进行了优化。在最佳条件下(25°C, pH 3,振荡15 min,初始浓度为150 mg/L), PVC-PHDA的最大吸收率为63.2 mg/g,有效去除Se4+离子高达127 mg/L。Langmuir等温线模型最适合实验数据,估计最大吸附量为62.11 mg/g,与实际结果接近。动力学分析表明,其吸附能力分别为63.62 mg/g和64.14 mg/g。Dubinin-Radushkevich (D-R)处理结果表明,吸附能E (kJ/mol)为9.805,表明吸附过程是化学吸附。理论饱和容量qD (mg/g)为65.56 mg/g。通过Temkin等温线得出bT = 9.91,近似等于D-R等温线的吸附能值。热力学分析表明,该反应为自发反应(ΔG < 0)、放热反应(ΔH =−27.12 kJ/mol),且在较低温度下更有利。值得注意的是,99%吸附的硒在2 M H2SO4溶液中被成功回收,表明该材料具有良好的可再生性。该吸附剂对不同的共离子也表现出较强的选择性。根据世界卫生组织和美国环保署的指导方针,单次使用PVC-PHDA可以将饮用水中的硒含量降低到30 μg/L以下。
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引用次数: 0
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Inorganic Chemistry Communications
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