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Systematic review of sulfate roasting for Lithium extraction from Lepidolite: From fundamental mechanisms to industrial application 锂云石硫酸盐焙烧提锂研究综述:从基本机理到工业应用
IF 4.2 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-06 DOI: 10.1016/j.rechem.2026.103035
Qingxin Deng , Jin-Ru Feng
This review comprehensively examines the extraction of lithium from lepidolite via the sulfate roasting method. As demand for lithium, particularly for lithium-ion batteries, continues to grow, the exploitation of lithium-bearing minerals like lepidolite has become increasingly important. The sulfate roasting process, involving mixing, roasting, water leaching, purification, and precipitation, is highlighted as a promising industrial method due to its high lithium recovery efficiency and relatively low environmental impact compared to alternatives like acid digestion or chlorination roasting. Notably, the process allows for the effective management of toxic by-products such as fluorine (via fixation) and thallium (via targeted removal), which is crucial for sustainable operation. The review details the critical factors affecting lithium yield, such as the particle size of lepidolite, the type and ratio of sulfates (e.g., Na₂SO₄, K₂SO₄, CaSO₄, FeSO₄), roasting temperature and duration, and leaching conditions, and discusses the underlying mechanisms, primarily ion exchange and mineral decomposition. Furthermore, it addresses the potential for co-extraction of valuable by-products like rubidium and cesium and identifies future research directions, including reducing energy consumption and optimizing additives for improved efficiency and sustainability.
综述了硫酸盐焙烧法从锂云母中提取锂的研究进展。随着对锂的需求,特别是对锂离子电池的需求持续增长,像锂云母这样的含锂矿物的开采变得越来越重要。硫酸盐焙烧工艺包括混合、焙烧、水浸、净化和沉淀,与酸消化或氯化焙烧等替代工艺相比,它具有高锂回收率和相对较低的环境影响,是一种有前景的工业方法。值得注意的是,该工艺可以有效管理有毒副产品,如氟(通过固定)和铊(通过有针对性的去除),这对可持续运作至关重要。本文详细介绍了影响锂收率的关键因素,如锂云石粒度、硫酸钠、硫酸钾、硫酸钾、硫酸钾、硫酸钾等硫酸盐的种类和配比、焙烧温度和焙烧时间、浸出条件等,并讨论了影响锂收率的主要机理,主要是离子交换和矿物分解。此外,它还探讨了共萃取铷和铯等有价值副产品的潜力,并确定了未来的研究方向,包括降低能耗和优化添加剂,以提高效率和可持续性。
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引用次数: 0
Computational identification of carotol as a potent inhibitor of PDC-3 and NDM-1 β-lactamases in Pseudomonas aeruginosa 计算鉴定胡萝卜醇是铜绿假单胞菌中PDC-3和NDM-1 β-内酰胺酶的有效抑制剂
IF 4.2 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-06 DOI: 10.1016/j.rechem.2026.103032
Srujal Kacha , Anand Anbarasu
Nosocomial infections caused by Pseudomonas aeruginosa (P. aeruginosa) display a significant threat with high levels of multi-drug resistance against current antibiotic treatments. Beta-lactamases (BLs) are major contributors to resistance acquisition against beta-lactams. Pseudomonas-derived cephalosporinase (PDC-3) and New Delhi Metallo beta-lactamases (NDM-1) are frequently occurring BLs in Carbapenem Resistant P. aeruginosa (CRPA) population, in India. The study evaluates phytocompounds for their beta-lactamase inhibitory potential against PDC-3 and NDM-1 of P. aeruginosa, employing an in-silico approach. Phytocompounds were screened for their drug likeness based on pharmacokinetic and toxicity parameters, followed by molecular docking, molecular dynamics simulations, and density functional theory analyses. Carotol emerged as the most promising candidate, possessing favourable docking scores of −5.92 kcal/mol and − 5.94 kcal/mol with PDC-3 NDM-1, respectively. Molecular dynamics simulations further confirmed stable and consistent interactions of carotol with both enzymes. Although the in vitro validations would strengthen the proposal of carotol as a potent beta-lactamase inhibitor.
铜绿假单胞菌(P. aeruginosa)引起的医院感染对目前的抗生素治疗具有高度的多药耐药性。β -内酰胺酶(BLs)是对β -内酰胺获得耐药性的主要贡献者。假单胞菌衍生的头孢菌素酶(PDC-3)和新德里金属β -内酰胺酶(NDM-1)是印度耐碳青霉烯P. aeruginosa (CRPA)人群中常见的BLs。该研究采用计算机方法评估了植物化合物对铜绿假单胞菌PDC-3和NDM-1的β -内酰胺酶抑制潜力。基于药代动力学和毒性参数筛选植物化合物,然后进行分子对接、分子动力学模拟和密度泛函理论分析。卡罗尔醇被认为是最有希望的候选者,与PDC-3 NDM-1的对接分数分别为- 5.92 kcal/mol和- 5.94 kcal/mol。分子动力学模拟进一步证实了胡萝卜醇与这两种酶的稳定和一致的相互作用。尽管体外验证将加强胡萝卜醇作为一种有效的β -内酰胺酶抑制剂的提议。
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引用次数: 0
Unraveling structure-property relationships in pseudopolymorphic 3,3′-(4-amino-1,2,4-triazol-3,5-diyl)diphenol: Insights from advanced crystallographic analysis (Hirshfeld surfaces, Energy frameworks), thermal behavior, and luminescent properties 揭示伪多晶3,3 ' -(4-氨基-1,2,4-三唑-3,5-二基)二酚的结构-性质关系:来自高级晶体学分析(赫希菲尔德表面,能量框架),热行为和发光性质的见解
IF 4.2 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-06 DOI: 10.1016/j.rechem.2025.103024
Jia-Yi Shi , Meng-Qi Lu , Ming-Yu Dong , Xin Xiong , Juan Yang , Xue-Fei Song , Gui-Mei Tang , Yong-Tao Wang
Pesudopolymorphism/polymorphism significantly impacts the physical properties of crystalline materials, making the discovery and characterization of new pesudopolymorphs/polymorphs crucial for material science. This study aimed to characterize a newly discovered pseudopolymorph of 3,3′-(4-amino-4H-1,2,4-triazole-3,5-diyl)diphenol (β-3OH) obtained from ethanol crystallization, compare its structural and physicochemical properties with the known methanol-derived polymorph (α-3OH), and determine their relative stability. The novel β-3OH was characterized using single-crystal X-ray diffraction (SCXRD), infrared (IR) spectroscopy, ultraviolet-visible (UV–vis) spectroscopy, powder X-ray diffraction (PXRD), and differential scanning calorimetry (DSC). Hirshfeld surface analysis and energy framework calculations were employed to understand intermolecular interactions and lattice energies. SCXRD revealed β-3OH crystallizes in the monoclinic I2/a space group. Structural analysis showed different hydroxyl group orientations and molecular conformations (cis/trans isomers) compared to α-3OH. β-3OH exhibited a higher luminescent emission maximum (428 nm vs. 414 nm for α-3OH). Hirshfeld surface analysis correlated larger stacking distances and phenyl-triazole dihedral angles in β-3OH with specific C⋯H/C⋯C contacts. DSC data and fusion rules determined β-3OH shows a monotropic relationship. Energy framework calculations demonstrated significantly stronger intermolecular interactions (electrostatic, dispersion, polarization, repulsion, total) in β-3OH. Comprehensive characterization confirms the successful isolation of a new pseudopolymorph, β-3OH. The combined structural, spectroscopic, thermal, and computational analyses consistently demonstrate that β-3OH is thermodynamically more stable than α-3OH, attributed to its enhanced network of intermolecular interactions.
伪多晶/多态性显著影响晶体材料的物理性质,因此发现和表征新的伪多晶/多态性对材料科学至关重要。本研究旨在表征一种新发现的由乙醇结晶制备的3,3 ' -(4-氨基- 4h -1,2,4-三唑-3,5-二基)二酚(β-3OH)伪多晶,并将其与已知的甲醇衍生多晶(α-3OH)的结构和理化性质进行比较,并确定其相对稳定性。采用单晶x射线衍射(SCXRD)、红外(IR)光谱、紫外-可见(UV-vis)光谱、粉末x射线衍射(PXRD)和差示扫描量热法(DSC)对新型β-3OH进行了表征。采用Hirshfeld表面分析和能量框架计算来了解分子间相互作用和晶格能。SCXRD显示β-3OH在单斜I2/a空间基团中结晶。结构分析表明,与α-3OH相比,羟基取向和分子构象(顺式/反式异构体)有所不同。β-3OH表现出更高的发光最大值(428 nm比α-3OH的414 nm)。Hirshfeld表面分析将β-3OH中较大的堆积距离和苯基-三唑二面角与特定的C⋯H/C⋯C接触联系起来。DSC数据和聚变规则确定β-3OH呈单向关系。能量框架计算表明,β-3OH分子间相互作用(静电、色散、极化、斥力、总)显著增强。综合表征证实了一个新的伪多晶β-3OH的成功分离。结合结构、光谱、热分析和计算分析一致表明,β-3OH在热力学上比α-3OH更稳定,这归因于其增强的分子间相互作用网络。
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引用次数: 0
Green synthesis of zinc oxide nanoparticles: Advances, applications, and AI-driven innovations for sustainability 氧化锌纳米颗粒的绿色合成:进展、应用和人工智能驱动的可持续创新
IF 4.2 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-03 DOI: 10.1016/j.rechem.2026.103028
Chao Gong , Mengru Li , Jing Tian , Binghui Cai , Jiahang Wu , Bingyan Zhang , Xiaoyan Zhu , Shuai He , Pei Liu
The green synthesis of Zinc Oxide Nanoparticles (ZnO NPs) has garnered significant attention due to its eco-friendly nature and the versatile applications of ZnO NPs in various fields. This review delves into the latest advancements in green synthesis methods, emphasizing plant extracts, microorganisms, and biomacromolecules (notably proteins and peptides). By integrating bibliometric analysis of Web of Science data (2015–2025), it pinpoints global research hotspots like “green synthesis,” “antibacterial activity,” and “photocatalysis.” Key insights include: plant-mediated synthesis offers cost-effectiveness but is affected by seasonal variability; microorganism-driven approaches allow for scalability yet require strict sterility; and biomacromolecules-mediated methods. Critically, we highlight how artificial intelligence (AI), particularly machine learning (ML), is being integrated across these methods—from predicting optimal plant extract compositions and microbial culture conditions to designing peptide templates—to enhance reproducibility, yield, and functionality of green-synthesized ZnO NPs. The bibliometric analysis reveals India and China as research hubs, with “Good Health and Well-Being” being the dominant sustainable development goal (4720 publications). The synthesis of sustainable chemistry and AI promises future breakthroughs in large-scale, tailored ZnO NPs production for applications in biomedicine and environmental protection. This review provides a comprehensive analysis integrating green synthesis techniques with scientometric insights, offering a critical assessment of ZnO NPs sustainability and its role in advancing global health solutions.
氧化锌纳米颗粒(ZnO NPs)的绿色合成由于其环保性和在各个领域的广泛应用而受到广泛关注。本文综述了绿色合成方法的最新进展,重点介绍了植物提取物、微生物和生物大分子(特别是蛋白质和多肽)。通过整合Web of Science数据(2015-2025)的文献计量分析,精准定位“绿色合成”、“抗菌活性”、“光催化”等全球研究热点。主要见解包括:植物介导的合成具有成本效益,但受季节变化的影响;微生物驱动的方法允许可扩展性,但需要严格的无菌性;以及生物大分子介导的方法。至关重要的是,我们强调了人工智能(AI),特别是机器学习(ML)如何在这些方法中集成-从预测最佳植物提取物组成和微生物培养条件到设计肽模板-以提高绿色合成ZnO NPs的可重复性,产量和功能。文献计量分析显示,印度和中国是研究中心,“良好健康和福祉”是主要的可持续发展目标(4720份出版物)。可持续化学和人工智能的合成有望在大规模定制ZnO NPs生产方面取得突破,用于生物医学和环境保护。这篇综述提供了综合绿色合成技术和科学计量学见解的综合分析,提供了氧化锌NPs可持续性及其在推进全球健康解决方案中的作用的关键评估。
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引用次数: 0
Spectroscopy, acoustics, and AI-based studies of nanoparticles formed from ultra-diluted homoeopathic medicines 超稀释顺势疗法药物形成的纳米颗粒的光谱学、声学和基于人工智能的研究
IF 4.2 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-02 DOI: 10.1016/j.rechem.2025.103023
Shalu Goyal , Swati Rani , Ved Prakash Meena , Ritika Hassija Narula , Subhash Kaushik , Anil Kumar Nain , Vikas Chauhan , Sweta Singh , Sheetal Budhiraja , Rakesh Kumar Sharma
This study explores the physicochemical properties, nanoscale characteristics, and biological activity of ultra-diluted homoeopathic medicines (Ocimum sanctum and Curcuma longa) at different potencies using advanced analytical techniques. Our purpose of this work was to examine the presence of nanoparticles which present inside the medicines even at the ultra-dilutions. The medicinal efficacy of ultra-high diluted homoeopathic medicines remains a contentious issue in the scientific community. Because dilutions beyond Avogadro's limit are believed to lack active molecules. Two widely used homoeopathic medicines—Ocimum sanctum (OS) (3×, 6×, and 3CH) and Curcuma longa (CL)—at potencies of 3×, 6×, and 6CH were investigated using advanced analytical techniques including UV–Visible spectroscopy, FT-IR spectroscopy, Transmission Electron Microscopy (TEM), and artificial intelligence (AI)-based analysis. These methods identified distinct absorption peaks, functional groups, and the presence of nanoparticles in all potencies, confirming the structural integrity and preservation of medicinal fingerprints even at high dilutions. Additionally, acoustic and physicochemical studies were conducted by measuring density, ultrasonic velocity, and viscosity of the medicines in 90 % ethanol–water at temperatures ranging from 293.15 K to 318.15 K. These measurements allowed derivation of thermodynamic and acoustic parameters to understand solute–solvent interactions. The results revealed strong molecular interactions between the medicinal compounds and water–ethanol aggregates, indicating the role of potentization in preserving active structures. AI-based data analysis confirmed presence of nanoscale particles across all potencies. Furthermore, antibacterial assays against both Gram-positive and Gram-negative bacteria demonstrated significant inhibitory activity for all OS and CL medicines, while control samples showed no antibacterial effect. This study provides strong physicochemical and biological evidence for the presence of active constituents in ultra-diluted homoeopathic medicines.
本研究利用先进的分析技术,探讨了不同效价的超稀释顺势疗法药物(Ocimum sanctum和Curcuma longa)的理化性质、纳米尺度特征和生物活性。我们这项工作的目的是检查纳米颗粒的存在,这些纳米颗粒即使在超稀释的情况下也存在于药物中。超高稀释顺势疗法药物的疗效在科学界仍是一个有争议的问题。因为超过阿伏伽德罗极限的稀释度被认为缺乏活性分子。采用先进的分析技术,包括紫外可见光谱、傅里叶红外光谱、透射电子显微镜(TEM)和基于人工智能(AI)的分析,研究了两种广泛使用的顺势疗法药物——香露(ocimum sanctum, OS) (3x、6x和3CH)和姜黄(Curcuma longa, CL) (3x、6x和6CH)的药效。这些方法鉴定出不同的吸收峰、官能团和纳米颗粒的存在,即使在高稀释度下也证实了药物指纹的结构完整性和保存性。此外,在293.15 K至318.15 K的温度范围内,通过测量药物在90%乙醇-水中的密度、超声波速度和粘度,进行了声学和物理化学研究。这些测量允许热力学和声学参数的推导,以了解溶质-溶剂相互作用。结果显示,药物化合物与水-乙醇聚集体之间存在强烈的分子相互作用,表明潜在作用在保留活性结构中起作用。基于人工智能的数据分析证实了纳米级颗粒在所有效价中的存在。此外,对革兰氏阳性菌和革兰氏阴性菌的抑菌试验显示,所有OS和CL药物都有明显的抑菌活性,而对照样品则没有抑菌作用。本研究为超稀释顺势疗法药物中有效成分的存在提供了强有力的物理化学和生物学证据。
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引用次数: 0
CO2-assisted propane-to-propene dehydrogenation over Zn(Cr, Y)SiBEA catalysts: insights of the main process pathway Zn(Cr, Y)SiBEA催化剂上co2辅助丙烷制丙烯脱氢:主要工艺途径的见解
IF 4.2 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-02 DOI: 10.1016/j.rechem.2025.103027
Svitlana Orlyk, Nina Vlasenko, Valeriy Chedryk
The effect of the bimetallic Zn(Cr, Y)SiBEA zeolite (Si/Al = 1000) compositions on the preferred pathway of the CO2-PDH process, as well as the catalysts' activity and selectivity in direct propane dehydrogenation (PDH) and reverse water-gas shift reaction (RWGS), has been examined. Analysis of the surface functional (redox and acid-base) characteristics reveals that balanced acid-base properties determine the catalysts' activity and selectivity in both the main process and the component reactions—direct propane dehydrogenation and RWGS. High propene selectivity is observed on Zn2.0SiBEA (94 %) and Cr1.0/Zn1.0SiBEA (89.5 %) catalysts, due to alkane activation at acid-base sites and CO2 activation on base sites. This suggests that the primary pathway of the CO2-PDH process on these bifunctional catalysts involves PDH combined with RWGS.
考察了双金属Zn(Cr, Y)SiBEA分子筛(Si/Al = 1000)组分对CO2-PDH反应优选途径的影响,以及催化剂在丙烷直接脱氢(PDH)和逆向水气转换反应(RWGS)中的活性和选择性。对催化剂表面功能(氧化还原和酸碱)特性的分析表明,平衡酸碱性质决定了催化剂在丙烷直接脱氢和RWGS的主反应和组分反应中的活性和选择性。在Zn2.0SiBEA(94%)和Cr1.0/Zn1.0SiBEA(89.5%)催化剂上观察到较高的丙烯选择性,这是由于在酸碱位上的烷烃活化和碱位上的CO2活化。这表明CO2-PDH过程在这些双功能催化剂上的主要途径是PDH与RWGS的结合。
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引用次数: 0
IF 4.2 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-01
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引用次数: 0
IF 4.2 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-01
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引用次数: 0
IF 4.2 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-01
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引用次数: 0
ZnO/SnO2 decorated rGO nanocomposite coating on non-thermal plasma treated fabrics - antimicrobial activity ZnO/SnO2修饰氧化石墨烯纳米复合涂层在非热等离子体处理织物上的抗菌性能
IF 4.2 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2026-01-01 DOI: 10.1016/j.rechem.2025.103026
Udaya Vaka, M.C. Ramkumar
Antimicrobial textiles have gained noteworthy attention due to their prospective applications in healthcare, hygiene, and everyday use. This study explores the efficacy of ZnO/SnO2/rGO nanocomposite coated on cotton fabrics pre-treated with argon plasma for enhanced antibacterial as well as anticancer activity. X-ray diffraction (XRD) was employed to determine the crystalline structure and phase composition, providing insights into the materials crystallinity and potential phase transitions. Fourier transform infrared (FTIR) spectroscopy was used to identify the functional groups present in the samples. Scanning electron microscopy (SEM) was conducted to examine the surface morphology and microstructural features. Additionally, energy-dispersive X-ray (EDX) analysis was integrated with SEM to assess the elemental composition and distribution across the sample surface. The wettability characteristics were evaluated using Contact Angle (CA) measurements, which provided information on wettability. To assess the mechanical properties, tensile strength testing was performed. Lastly, air permeability measurements were carried out to evaluate the breathability of the material, which is crucial factor of antimicrobial fabrics. Current research explores the antibacterial properties as well as anticancer activity (A549).
抗菌纺织品由于其在医疗保健、卫生和日常使用方面的潜在应用而引起了人们的关注。本研究探讨了ZnO/SnO2/rGO纳米复合涂层在氩气等离子体预处理棉织物上增强抗菌和抗癌活性的效果。利用x射线衍射(XRD)测定了材料的晶体结构和相组成,从而深入了解材料的结晶度和潜在的相变。傅里叶变换红外光谱(FTIR)对样品中的官能团进行了鉴定。采用扫描电子显微镜(SEM)对其表面形貌和显微组织特征进行了观察。此外,能量色散x射线(EDX)分析与SEM相结合,以评估样品表面的元素组成和分布。使用接触角(CA)测量来评估润湿性特性,这提供了润湿性的信息。为了评估机械性能,进行了拉伸强度测试。最后,通过透气性测试来评价材料的透气性,这是抗菌织物的关键因素。目前的研究探索抗菌性能和抗癌活性(A549)。
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引用次数: 0
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Results in Chemistry
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