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Effect of Chromium Substitution on Structural, Electron Spin Resonance, and Magnetic Properties of Cobalt Nanoferrites 铬取代对钴纳米铁素体结构、电子自旋共振和磁性能的影响
IF 2.3 4区 化学
ChemistrySelect Pub Date : 2026-10-14 DOI: 10.1002/slct.74733
Dipuo Sethosa, Lebogang Kotsedi, Tebogo Mahule, Intikhab A. Ansari, Muzaffar Ali, Ali E. I. Elkhalifah, Teboho Mokoena, Teboho Mokhena, Mohd. Hashim, Amos Nhlapo
{"title":"Effect of Chromium Substitution on Structural, Electron Spin Resonance, and Magnetic Properties of Cobalt Nanoferrites","authors":"Dipuo Sethosa,&nbsp;Lebogang Kotsedi,&nbsp;Tebogo Mahule,&nbsp;Intikhab A. Ansari,&nbsp;Muzaffar Ali,&nbsp;Ali E. I. Elkhalifah,&nbsp;Teboho Mokoena,&nbsp;Teboho Mokhena,&nbsp;Mohd. Hashim,&nbsp;Amos Nhlapo","doi":"10.1002/slct.74733","DOIUrl":"https://doi.org/10.1002/slct.74733","url":null,"abstract":"<p>Chromium-substituted cobalt ferrite nanoparticles CoCr<sub>x</sub>Fe<sub>2</sub><sub>−</sub><sub>x</sub>O<sub>4</sub> (0 ≤ <i>x</i> ≤ 2.0) were successfully synthesized via the hydrothermal method. X-ray diffraction (XRD) patterns confirmed the formation of a single-phase cubic spinel structure. Crystallite sizes ranged from 6.6 to 13.7 nm, while lattice parameters decreased from 8.2603 to 8.1974 Å with increasing chromium content. SEM showed uniform grains with discrete boundaries. FTIR spectra exhibited characteristic metal–oxygen stretching vibrations at tetrahedral (615 cm<sup>−</sup><sup>1</sup>) and octahedral (468 cm<sup>−</sup><sup>1</sup>) sites, along with a weak Cr<sup>3</sup><sup>+</sup>–O<sup>2</sup><sup>−</sup> band at 499 cm<sup>−</sup><sup>1</sup>, confirming successful cation substitution and bond strengthening. The small remanent magnetization and coercive fields from <i>M–H</i> curves revealed soft magnetic nature for all samples. The FC and ZFC measurements for CoCr<sub>0.5</sub>Fe<sub>1.5</sub>O<sub>4</sub> sample revealed 183 K as the blocking temperature. The electron spin resonance (ESR) spectra revealed composition-dependent variations in resonance field (<i>H</i><sub>res</sub>), <i>g-</i>values, and spin relaxation times. The <i>g-</i>value ranged from 4.49 (<i>x</i> = 0) to 2.04 (<i>x</i> = 1.0), indicating a transition toward a more symmetric crystal field and stronger Fe<sup>3</sup><sup>+</sup>–Cr<sup>3</sup><sup>+</sup> exchange coupling. These results demonstrate that controlled Cr<sup>3</sup><sup>+</sup> substitution effectively tunes the structural order, local bonding environment, and spin dynamics of cobalt ferrite nanomaterials, making them promising materials for magnetic, electronic, and biomedical applications.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"11 39","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/slct.74733","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177161","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Biological and Chemical Investigation of Rhizome Metabolites of Astilbe rivularis Buch. Ham., an Ethnomedicinally Important Plant of the Sikkim Himalayas With Reference to Oxidative Stress and Diabetes 芦笋根茎代谢物的生物化学研究。火腿。锡金喜马拉雅地区一种重要的民族药用植物,与氧化应激和糖尿病有关
IF 2.3 4区 化学
ChemistrySelect Pub Date : 2026-10-14 DOI: 10.1002/slct.74822
Swati Sharma, Srichandan Padhi, Jesús G. Zorrilla, Rounak Chourasia, Md Minhajul Abedin, Kumananda Tayung, Marco Masi, Alessio Cimmino, Amit Kumar Rai, Dinabandhu Sahoo
{"title":"Biological and Chemical Investigation of Rhizome Metabolites of Astilbe rivularis Buch. Ham., an Ethnomedicinally Important Plant of the Sikkim Himalayas With Reference to Oxidative Stress and Diabetes","authors":"Swati Sharma,&nbsp;Srichandan Padhi,&nbsp;Jesús G. Zorrilla,&nbsp;Rounak Chourasia,&nbsp;Md Minhajul Abedin,&nbsp;Kumananda Tayung,&nbsp;Marco Masi,&nbsp;Alessio Cimmino,&nbsp;Amit Kumar Rai,&nbsp;Dinabandhu Sahoo","doi":"10.1002/slct.74822","DOIUrl":"https://doi.org/10.1002/slct.74822","url":null,"abstract":"<p>Diabetes mellitus is a multifactorial disease characterized by chronic hyperglycemia and oxidative stress, which underscores the need for new multitarget bioactive scaffolds from natural sources. Herein, the antioxidant and antidiabetic metabolites from rhizomes of <i>Astilbe rivularis</i> Buch. Ham. were investigated. Three main constituents (bergenin, and the diastereomeric <i>O</i>-glycosides phyllantenocoside and phyllanthurinolactone) were isolated and identified using chromatographic, spectroscopic, spectrometric, and optical methods. The subsequent hydrolysis of the diastereomers furnished the aglycones phyllantenolide and menisdaurilide. Bioassays showed broad activity across DPPH scavenging, HOCl quenching, myeloperoxidase (MPO) inhibition, and α-amylase/α-glucosidase inhibition, with menisdaurilide being most consistent (HOCl quenching: EC<sub>50</sub> 69.25 ng mL<sup>−</sup><sup>1</sup>; MPO inhibition: IC<sub>50</sub> 0.74 µg mL<sup>−</sup><sup>1</sup>; α-amylase and α-glucosidase inhibition: IC<sub>50</sub> 0.64 and 0.68 mg mL<sup>−</sup><sup>1</sup>). The improved activity of menisdaurilide was correlated with its stereochemistry and functional-group orientation, as relevant bioactivity differences were obtained for its diastereomer, phyllantenolide. Molecular docking indicated favorable binding of menisdaurilide to human MPO and maltase-glucoamylase, and dynamic studies further confirmed stability and compactness of the protein-ligand complexes. This study supports <i>A. rivularis</i> rhizomes as a valuable source of potential bioactive metabolites, specially menisdaurilide, considered as a stereochemically optimized lead drug for oxidative-stress-mediated complications, meriting mechanistic, pharmacokinetic, and safety/efficacy evaluation in further research.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"11 39","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/slct.74822","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177163","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Creation of Polymer Composite Containing Azacalixarene Derivatives with Dioctyl Chains Based on Interfacial Chemical Evaluation 基于界面化学评价的含二辛链氮杂杯芳烃衍生物聚合物复合材料的制备
IF 2.3 4区 化学
ChemistrySelect Pub Date : 2026-10-14 DOI: 10.1002/slct.74807
Chisato Nara, Takenobu Sakai, Yuji Shibasaki, Atsuhiro Fujimori
{"title":"Creation of Polymer Composite Containing Azacalixarene Derivatives with Dioctyl Chains Based on Interfacial Chemical Evaluation","authors":"Chisato Nara,&nbsp;Takenobu Sakai,&nbsp;Yuji Shibasaki,&nbsp;Atsuhiro Fujimori","doi":"10.1002/slct.74807","DOIUrl":"https://doi.org/10.1002/slct.74807","url":null,"abstract":"<div>\u0000 \u0000 <p>We propose an azacalixarene derivative containing dioctyl chains (aCX-2C<sub>8</sub>) as a novel additive for polymers. As aCX-2C<sub>8</sub> can form a monolayer on the water surface at the air/water interface, we characterized its structure, morphology, and intermolecular interactions using interfacial chemistry techniques. When added in trace amounts to polypropylene, aCX-2C<sub>8</sub> did not inhibit its crystallization behavior but merely maintained its mechanical properties. By contrast, its addition to poly(L-lactic acid) (PLLA) increased the crystallization temperature and improved the mechanical properties of the polymer. Because aCX-2C<sub>8</sub> mainly interacts via hydrogen bonding, it may be particularly effective for polymers containing polar groups, accounting for the excellent physical properties of the PLLA/aCX-2C<sub>8</sub> composites.</p>\u0000 </div>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"11 39","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177169","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
Activated Carbon-Supported Molybdenum Oxide Catalysts for Epoxidation of Palm Oleic Acid 棕榈油酸环氧化反应的活性炭负载氧化钼催化剂
IF 2.3 4区 化学
ChemistrySelect Pub Date : 2026-10-14 DOI: 10.1002/slct.74852
Aishah Derahman, Mohd Jumain Jalil, Mohd Saufi Md Zaini
{"title":"Activated Carbon-Supported Molybdenum Oxide Catalysts for Epoxidation of Palm Oleic Acid","authors":"Aishah Derahman,&nbsp;Mohd Jumain Jalil,&nbsp;Mohd Saufi Md Zaini","doi":"10.1002/slct.74852","DOIUrl":"https://doi.org/10.1002/slct.74852","url":null,"abstract":"<div>\u0000 \u0000 <p>Palm oleic acid (POA) epoxidation offers a route for producing bio-based epoxide intermediates for polymer additives, coatings, and biolubricants. This study evaluated the suitability of activated carbon (AC) as a support for molybdenum (Mo) oxide species and examined the influence of Mo loading on the catalyst structure and the relative conversion to oxirane (RCO) during POA epoxidation. AC-supported Mo catalysts with nominal metal loadings of 5–20 wt.% were prepared by wet impregnation using ammonium molybdate tetrahydrate (AMT) as metal precursor. The characterization results confirmed that Mo incorporation increased with increasing nominal loading, while x-ray diffraction (XRD) indicated the presence of MoO<sub>x</sub> species, with more pronounced Mo oxide-related reflections at higher loadings. Textural analysis revealed a reduction in the surface area and pore volume after Mo incorporation, suggesting partial pore occupation by Mo-containing species. Among the supported catalysts, Mo/AC-15 exhibited the highest RCO, reaching approximately 50% after 4 h at 70°C. Fourier-transform infrared spectroscopy (FTIR) and <sup>1</sup>H Nuclear Magnetic Resonance (<sup>1</sup>H NMR) analyses supported oxirane formation, as evidenced by the appearance of C─O─C absorption bands, reduction of olefinic bands and proton signals, and the emergence of new oxirane-related proton signals.</p>\u0000 </div>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"11 39","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177210","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
Numerical Study of Flow Characteristics and Simulated Carbon Deposition in a Helical Tube CVD Reactor 螺旋管CVD反应器内流动特性及模拟积碳的数值研究
IF 2.3 4区 化学
ChemistrySelect Pub Date : 2026-10-14 DOI: 10.1002/slct.74826
Lianlian Wang, Chao Yu, Xinhui Liu, Sien Hu, Chenyu Gao, Dianming Chu, Yan He, Wenjuan Bai, Qingdang Li
{"title":"Numerical Study of Flow Characteristics and Simulated Carbon Deposition in a Helical Tube CVD Reactor","authors":"Lianlian Wang,&nbsp;Chao Yu,&nbsp;Xinhui Liu,&nbsp;Sien Hu,&nbsp;Chenyu Gao,&nbsp;Dianming Chu,&nbsp;Yan He,&nbsp;Wenjuan Bai,&nbsp;Qingdang Li","doi":"10.1002/slct.74826","DOIUrl":"https://doi.org/10.1002/slct.74826","url":null,"abstract":"<div>\u0000 \u0000 <p>Carbon nanotubes (CNTs) demonstrate immense potential across numerous cutting-edge fields due to their exceptional properties. However, achieving efficient, energy-saving, and uniform preparation processes remains a critical challenge requiring breakthroughs. Addressing the significant temperature gradients, high energy consumption, and inadequate mixing inherent in conventional horizontal reactors, this paper innovatively proposes and employs a helical tube reactor for the continuous production of CNTs. Employing numerical simulation methods, this study systematically investigates the influence of wall heating temperature, inlet flow velocity, and reactor pitch on simulated carbon deposition behavior and distribution uniformity. Results indicate that at elevated wall temperatures of 1200 K, inlet velocities between 0.4 and 0.6 m/s, and pitches ranging from 50 to 60 mm, the CNT deposition process is significantly optimized. This improvement under the constant-property simulation assumption stems from the helical tube structure inducing intense secondary flow, which effectively enhances gas mixing and heat transfer within the reactor. Note that such strong secondary-flow intensity is over-predicted under 298 K constant-property simplification for high-temperature real-reactor conditions; the relative performance trends among different operating parameters remain informative for reactor design. This research provides crucial theoretical foundations and optimization guidelines for developing efficient, energy-saving, and uniform continuous CNT production technologies.</p>\u0000 </div>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"11 39","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177314","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
Nickel Oxide Integrated With Activated Carbon Derived From Areca Nut Husk Biomass Waste as a Potential Electrode for Supercapacitors 槟榔壳生物质废弃物制备的氧化镍与活性炭复合材料作为超级电容器的电位电极
IF 2.3 4区 化学
ChemistrySelect Pub Date : 2026-10-14 DOI: 10.1002/slct.74829
A. Revathi, K. Kalaivani, K. Rama Lingam, M. B. Thulasiraman, P. Udhaya, Paul K. Chu, Mohammed-Ibrahim Jamesh
{"title":"Nickel Oxide Integrated With Activated Carbon Derived From Areca Nut Husk Biomass Waste as a Potential Electrode for Supercapacitors","authors":"A. Revathi,&nbsp;K. Kalaivani,&nbsp;K. Rama Lingam,&nbsp;M. B. Thulasiraman,&nbsp;P. Udhaya,&nbsp;Paul K. Chu,&nbsp;Mohammed-Ibrahim Jamesh","doi":"10.1002/slct.74829","DOIUrl":"https://doi.org/10.1002/slct.74829","url":null,"abstract":"<div>\u0000 \u0000 <p>The rising demand for sustainable energy storage highlights the importance of using renewable biomass as carbon-based electrodes for supercapacitors. However, optimizing these materials by tuning kinetics, surface area, and pore size is challenging. Globally, over half a million tons of areca nut husk waste are generated annually. This study demonstrates nickel oxide integrated with biomass waste areca nut husk derived activated carbon (Ni<i><sub>x</sub></i>O<i><sub>y</sub></i>-AC) as a supercapacitor electrode. Comprehensive structural and electrochemical characterizations are performed. Fabricated via a facile route at low temperature, Ni<i><sub>x</sub></i>O<i><sub>y</sub></i>-AC contains amorphous carbon and crystalline Ni<sub>2</sub>O<sub>3</sub>, while it has Ni<sup>2+</sup>, Ni<sup>3+</sup>, Ni─O, C─O, C─C, C═C, and C═O bonds. The material possesses micropores with a specific surface area of 272.204 m<sup>2</sup> g<sup>−1</sup> and an average pore diameter of 1.769 nm. The material exhibits pseudocapacitive characteristics and high electrical conductivity. The gravimetric specific capacitance is approximately 348 F g<sup>−1</sup> in 6 M KOH. Furthermore, the electrode exhibits a capacitance of 103 F g<sup>−1</sup> at a high current density of 3.5 A g<sup>−1</sup>, delivering an energy density of 1.43 Wh kg<sup>−1</sup> at a power density of 1049.446 W kg<sup>−1</sup>. This performance is attributed to its unique structure, abundant redox active sites, and improved electronic conductivity.</p>\u0000 </div>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"11 39","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177207","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
Silver-Induced Semiconductor-to-Metal Transition and Thermoelectric Modulation in Monolayer SnSe 单层SnSe中银诱导的半导体-金属跃迁和热电调制
IF 2.3 4区 化学
ChemistrySelect Pub Date : 2026-10-14 DOI: 10.1002/slct.74805
Joziano Rony de Miranda Monteiro, Angsula Ghosh, Cicero Mota, Hidembergue Ordozgoith da Frota
{"title":"Silver-Induced Semiconductor-to-Metal Transition and Thermoelectric Modulation in Monolayer SnSe","authors":"Joziano Rony de Miranda Monteiro,&nbsp;Angsula Ghosh,&nbsp;Cicero Mota,&nbsp;Hidembergue Ordozgoith da Frota","doi":"10.1002/slct.74805","DOIUrl":"https://doi.org/10.1002/slct.74805","url":null,"abstract":"<p>Monolayer tin selenide (SnSe) is a promising thermoelectric material for energy conversion. Using density functional theory, we show that silver (Ag) substitution at concentrations of 12.5% and 25% induces a semiconductor-to-metal transition in monolayer SnSe, with the pristine 1.21 eV bandgap closing upon Ag incorporation. The calculated carrier concentration reaches <span></span><math></math> cm<span></span><math></math>. The incorporation enhances the electrical conductivity to approximately <span></span><math></math>) near the Fermi energy, while the Seebeck coefficient changes sign depending on the doping configuration and chemical potential, indicating tunable n- and p-type transport. The electronic figure of merit becomes highly tunable via chemical potential modulation, reaching values near unity. These findings establish Ag-doped SnSe as a stable, versatile candidate for next-generation nanoelectronic and thermoelectric devices.</p>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"11 39","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/slct.74805","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177165","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Schiff Base Ligand and its Metal Complexes: Synthesis, Structural Insights, Thermal Behavior, and Antimicrobial Activity 席夫碱配体及其金属配合物:合成、结构、热行为和抗菌活性
IF 2.3 4区 化学
ChemistrySelect Pub Date : 2026-10-14 DOI: 10.1002/slct.74845
Shazia Subhan, Sayyar Muhammad, Mushtaq Ahmad, Shams Suleman
{"title":"Schiff Base Ligand and its Metal Complexes: Synthesis, Structural Insights, Thermal Behavior, and Antimicrobial Activity","authors":"Shazia Subhan,&nbsp;Sayyar Muhammad,&nbsp;Mushtaq Ahmad,&nbsp;Shams Suleman","doi":"10.1002/slct.74845","DOIUrl":"https://doi.org/10.1002/slct.74845","url":null,"abstract":"<div>\u0000 \u0000 <p>A Schiff base ligand, 1-{[(3,5-dimethylphenyl)imino]methyl}naphthalen-2-ol (NL<sub>1</sub>), was synthesized via condensation of 3,5-dimethylaniline and 2-hydroxy-1-naphthaldehyde in methanol (1:1 molar ratio), affording a yellow solid in 93% yield (m.p. 138°C–140°C). Spectroscopic studies (FT–IR, <sup>1</sup>H/<sup>1</sup><sup>3</sup>C NMR, EI–MS) confirmed <i>N, O</i>-bidentate coordination via azomethine nitrogen (ν(C═N) = 1614 cm<sup>−</sup><sup>1</sup>) and phenolic oxygen, with shifts to 1595–1599 cm<sup>−</sup><sup>1</sup> and metal–ligand vibrations at 424–574 cm<sup>−</sup><sup>1</sup>. The ligand showed a molecular ion peak at <i>m/z</i> 275.1 (C<sub>19</sub>H<sub>17</sub>NO). Thermal analysis indicated enhanced stability upon complexation, with decomposition onset at ∼373°C (Ni), ∼296°C (Co), and ∼422°C (Zn), compared to 230–362°C (94.9% mass loss) for NL<sub>1</sub>. Antimicrobial assays revealed moderate activity for NL<sub>1</sub> (11.0–14.5 mm), while metal complexes showed improved efficacy. The Zn(II) complex exhibited the highest activity, with inhibition zones of 15.0–17.0 mm against <i>Escherichia coli</i>, <i>Proteus mirabilis</i>, and <i>Staphylococcus aureus</i>, and 15.5 ± 1.6 mm against <i>Candida albicans</i>. Enhanced activity is attributed to chelation-induced lipophilicity, improved membrane permeability, Zn<sup>+2</sup>-mediated disruption, and ROS generation, highlighting [Zn(L<sub>1</sub>)<sub>2</sub>] as a promising antimicrobial candidate.</p>\u0000 </div>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"11 39","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177315","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
Substituent-Induced Ligand-Field Effects on the Magnetic Properties of Dysprosium Single-Molecule Magnets 取代基诱导配体场对镝单分子磁体磁性能的影响
IF 2.3 4区 化学
ChemistrySelect Pub Date : 2026-10-14 DOI: 10.1002/slct.74856
Hongli Ma, Xiangdong Yuan, Zhe Kong, Xing Duan
{"title":"Substituent-Induced Ligand-Field Effects on the Magnetic Properties of Dysprosium Single-Molecule Magnets","authors":"Hongli Ma,&nbsp;Xiangdong Yuan,&nbsp;Zhe Kong,&nbsp;Xing Duan","doi":"10.1002/slct.74856","DOIUrl":"https://doi.org/10.1002/slct.74856","url":null,"abstract":"<div>\u0000 \u0000 <p>Magnetic anisotropy critically governs the slow relaxation behavior of single-molecule magnets (SMMs), particularly those incorporating lanthanide ions, and can be finely tuned through ligand-field engineering. To elucidate how ligand substitution modulates anisotropy, first-principles calculations were performed on a series of (Cp<sup>iPr5</sup>)<sub>2</sub>-based metallocene complexes. The rigid bis(Cp<sup>iPr5</sup>) framework enforces a nearly linear coordination geometry, thereby reinforcing the axial ligand field. Substituents with distinct electronic characteristics (─Cl, ─Br, ─CF<sub>3</sub>, and ─NO<sub>2</sub>) induce different perturbations to the crystal field. Halogen atoms primarily introduce steric distortions that slightly modify the field, whereas strongly electron-withdrawing groups lower ligand orbital energies, enhance axial charge localization, and stabilize the ±<i>m</i><sub>J</sub> ground doublets. These findings demonstrate how subtle electronic variations in the ligand environment dictate the magnetic anisotropy and provide molecular-level insights into the rational design of high-performance lanthanide SMMs.</p>\u0000 </div>","PeriodicalId":146,"journal":{"name":"ChemistrySelect","volume":"11 39","pages":""},"PeriodicalIF":2.3,"publicationDate":"2026-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149177164","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
Effect of Phosphate Precursors on Silver-Grafted Bioactive Glass for Improved Biocompatibility and Antibacterial Efficacy 磷酸盐前体对银接枝生物活性玻璃生物相容性及抗菌性能的影响
IF 2.3 4区 化学
ChemistrySelect Pub Date : 2026-10-14 DOI: 10.1002/slct.74808
Aparna Vadakke Madathil, Vidya Devadiga, Anupamaraj Kizhakke Purayil, Swetha Andra, Sakar Mohan
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