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Thymus serpyllum L.Essential Oil:Phytochemistry and in Vitro and in Silico Screening of Its Antimicrobial,Antioxidant and Anti-Inflammatory Properties
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作者 Samiah Hamad Al-Mijalli Hanae Naceiri Mrabti +9 位作者 Amine Elbouzidi Naglaa S.Ashmawy Amine Batbat Emad M.Abdallah Wafa Laaboudi Mohammed Aladhadh Fahad M.Alshabrmi Sulaiman Mohammed Alnasser Mohamed Addi Naoufal El Hachlafi 《Phyton-International Journal of Experimental Botany》 2025年第1期209-227,共19页
Thymus serpyllum L.,often known as wild thyme,has been used since ancient times due to its multifaceted culinary and medicinal attributes.It is usually utilized in folk medicine to manage different health issues.This ... Thymus serpyllum L.,often known as wild thyme,has been used since ancient times due to its multifaceted culinary and medicinal attributes.It is usually utilized in folk medicine to manage different health issues.This work aimed to investigate the chemical composition and biological characteristics of T.serpyllum essential oil(EO),including its antimicrobial,antioxidant,and anti-inflammatory capabilities.Moreover,we have prompted an in-silico simulation to reveal the underlying mode of action of these properties.The chemical characterization of T.serpyllum(EO)by Gas Chromatography-Mass Spectrometry(GC-MS)indicated sabinene(17.33%),terpinen-4-ol(11.73%),phellandral(13.18%),and thymol(10.54%)as main components.The antimicrobial screening utilized the disc-diffusion technique,MIC,and MBC assays.The disc-diffusion test’s results revealed significant anti-Candida activity and notable antibacterial efficacy.The MIC and MBC tests showed that T.serpyllum EO effectively stops bacterial growth,including Gram-positive and Gram-negative strains and Candida strains.The tolerance level ratio demonstrated that this EO exhibits bactericidal and fungicidal effects on all tested bacteria and Candida strains.Also,T.serpyllum EO presented effective inhibitory activity against the 5-lipoxygenase(5-LOX)enzyme(IC50=744.19±0.1µg/mL)(p<0.05).It also effectively affected FRAP,β-carotene,DPPH,and ABTS radicals.In light of these findings,T.serpyllum holds promise for diverse applications across pharmaceuticals,nutraceuticals,and the food industry.However,further research and collaboration between traditional knowledge and modern medicine are crucial to fully realizing its potential benefits in these fields. 展开更多
关键词 Thymus serpyllum GC-MS ANTIMICROBIAL oxidative stress ANTI-INFLAMMATORY in silico
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光生载流子复合对探测器光谱响应特性的影响研究
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作者 李青 丁奕婧 +4 位作者 Fayemi Omolola E. 谷宇 卞亚东 周建明 雷威 《传感技术学报》 北大核心 2025年第6期955-962,共8页
在宽谱光电探测过程中,人们通常关注探测响应度和比探测度等性能,因此在探测器的设计中重点研究入射光子的吸收和光生载流子的漂移等物理过程。在宽谱探测、窄带探测等光谱探测中需要探测器区分不同波长通道的响应信号,光生载流子复合... 在宽谱光电探测过程中,人们通常关注探测响应度和比探测度等性能,因此在探测器的设计中重点研究入射光子的吸收和光生载流子的漂移等物理过程。在宽谱探测、窄带探测等光谱探测中需要探测器区分不同波长通道的响应信号,光生载流子复合是调控不同光谱通道探测信号的重要手段。通过数值仿真的方法研究了异质结探测器的能带结构和电场强度分布,进而分析了光生载流子的复合过程。通过对探测器不同半导体层电子亲和势的设计,利用光生载流子复合调控不同波长通道的探测信号,最终使得不同偏置电压下探测器光谱响应特性呈现出较大的非线性。通过对四层传感器的设计,获得带隙分布为3.09 eV/2.51 eV/1.94 eV/1.36 eV,电子亲和势为3.09 eV/3.42 eV/3.71 eV/4.07 eV。与单带隙的PIN光电二极管相比较,优化后的四层传感器的光谱响应曲线的相关性系数从0.99降低到0.56。该研究成果为后续光谱信息重构获得有效探测信号提供了保障。 展开更多
关键词 光电探测器 光生载流子复合 数值仿真 光谱响应 入射光吸收
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Concentrations of Potentially Toxic Elements in Groundwater and Surface Water in Ruashi and Annexe Municipalities of Lubumbashi City, Southeastern Democratic Republic of Congo 被引量:1
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作者 Bamba Bukengu Muhaya Benjamin Busomoke Badarhi 《Journal of Environmental Science and Engineering(A)》 CAS 2025年第1期1-13,共13页
Groundwater and surface water contamination by PTE(Potentially Toxic Elements)was assessed in Ruashi and Annexe municipalities of Lubumbashi city.Analyses of seventy water samples collected from six drilled wells,eigh... Groundwater and surface water contamination by PTE(Potentially Toxic Elements)was assessed in Ruashi and Annexe municipalities of Lubumbashi city.Analyses of seventy water samples collected from six drilled wells,eight spade-sunk wells,one river and one spring in both municipalities in 2017 and 2018 were carried out by ICP-SF-MS(Inductively Coupled Plasma-Sector Field Mass Spectrometry).Twenty PTEs including aluminum,arsenic,barium,bismuth,cadmium,cesium,chromium,cobalt,copper,iron,lead,manganese,molybdenum,nickel,strontium,thallium,tungsten,uranium,vanadium and zinc were detected at various concentrations in each one of the samples.Many samples had concentrations and mean concentrations of PTEs,such as aluminum,cadmium,copper,iron,lead,manganese,nickel and zinc,higher than the respective acceptable limits set for drinking water by the EU(European Union),the USEPA(United States Environmental Protection Agency),and the WHO(World Health Organization)standards.Most PTEs being deleterious to human health even at very low concentrations,people who use the groundwater and surface water to meet their water needs in both Ruashi and Annexe municipalities are at risk. 展开更多
关键词 CONTAMINATION GROUNDWATER PTEs spring STREAM Ruashi and Annexe municipalities Lubumbashi city.
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Alternative Strategy for Development of Dielectric Calcium Copper Titanate‑Based Electrolytes for Low‑Temperature Solid Oxide Fuel Cells 被引量:1
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作者 Sajid Rauf Muhammad Bilal Hanif +8 位作者 Zuhra Tayyab Matej Veis MAKYousaf Shah Naveed Mushtaq Dmitry Medvedev Yibin Tian Chen Xia Martin Motola Bin Zhu 《Nano-Micro Letters》 SCIE EI CAS 2025年第1期310-332,共23页
The development of low-temperature solid oxide fuel cells(LT-SOFCs)is of significant importance for realizing the widespread application of SOFCs.This has stimulated a substantial materials research effort in developi... The development of low-temperature solid oxide fuel cells(LT-SOFCs)is of significant importance for realizing the widespread application of SOFCs.This has stimulated a substantial materials research effort in developing high oxide-ion conductivity in the electrolyte layer of SOFCs.In this context,for the first time,a dielectric material,CaCu_(3)Ti_(4)O_(12)(CCTO)is designed for LT-SOFCs electrolyte application in this study.Both individual CCTO and its heterostructure materials with a p-type Ni_(0.8)Co_(0.15)Al_(0.05)LiO_(2−δ)(NCAL)semiconductor are evaluated as alternative electrolytes in LT-SOFC at 450–550℃.The single cell with the individual CCTO electrolyte exhibits a power output of approximately 263 mW cm^(-2) and an open-circuit voltage(OCV)of 0.95 V at 550℃,while the cell with the CCTO–NCAL heterostructure electrolyte capably delivers an improved power output of approximately 605 mW cm^(-2) along with a higher OCV over 1.0 V,which indicates the introduction of high hole-conducting NCAL into the CCTO could enhance the cell performance rather than inducing any potential short-circuiting risk.It is found that these promising outcomes are due to the interplay of the dielectric material,its structure,and overall properties that led to improve electrochemical mechanism in CCTO–NCAL.Furthermore,density functional theory calculations provide the detailed information about the electronic and structural properties of the CCTO and NCAL and their heterostructure CCTO–NCAL.Our study thus provides a new approach for developing new advanced electrolytes for LT-SOFCs. 展开更多
关键词 LT-SOFCs Dielectric CaCu_(3)Ti_(4)O_(12) Semiconductor Ni_(0.8)Co_(0.15)Al_(0.05)LiO_(2−δ) Ionic conductivity Heterostructure electrolyte
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Catalysis-Induced Highly-Stable Interface on Porous Silicon for High-Rate Lithium-Ion Batteries 被引量:1
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作者 Zhuobin Han Phornphimon Maitarad +11 位作者 Nuttapon Yodsin Baogang Zhao Haoyu Ma Kexin Liu Yongfeng Hu Siriporn Jungsuttiwong Yumei Wang Li Lu Liyi Shi Shuai Yuan Yongyao Xia Yingying Lv 《Nano-Micro Letters》 2025年第8期548-563,共16页
Silicon stands as a key anode material in lithium-ion battery ascribing to its high energy density.Nevertheless,the poor rate performance and limited cycling life remain unresolved through conventional approaches that... Silicon stands as a key anode material in lithium-ion battery ascribing to its high energy density.Nevertheless,the poor rate performance and limited cycling life remain unresolved through conventional approaches that involve carbon composites or nanostructures,primarily due to the un-controllable effects arising from the substantial formation of a solid electrolyte interphase(SEI)during the cycling.Here,an ultra-thin and homogeneous Ti doping alumina oxide catalytic interface is meticulously applied on the porous Si through a synergistic etching and hydrolysis process.This defect-rich oxide interface promotes a selective adsorption of fluoroethylene carbonate,leading to a catalytic reaction that can be aptly described as“molecular concentration-in situ conversion”.The resultant inorganic-rich SEI layer is electrochemical stable and favors ion-transport,particularly at high-rate cycling and high temperature.The robustly shielded porous Si,with a large surface area,achieves a high initial Coulombic efficiency of 84.7%and delivers exceptional high-rate performance at 25 A g^(−1)(692 mAh g^(−1))and a high Coulombic efficiency of 99.7%over 1000 cycles.The robust SEI constructed through a precious catalytic layer promises significant advantages for the fast development of silicon-based anode in fast-charging batteries. 展开更多
关键词 Catalytic interface MESOPOROUS Inorganic-rich SEI Silicon anode Lithium-ion batteries
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Mini review:Strategies for enhancing stability of high-voltage cathode materials in aqueous zinc-ion batteries 被引量:2
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作者 Lingjiang Kou Yong Wang +5 位作者 Jiajia Song Taotao Ai Wenhu Li Mohammad Yeganeh Ghotbi Panya Wattanapaphawong Koji Kajiyoshi 《Chinese Chemical Letters》 2025年第1期214-224,共11页
As battery technology evolves and demand for efficient energy storage solutions,aqueous zinc ion batteries(AZIBs)have garnered significant attention due to their safety and environmental benefits.However,the stability... As battery technology evolves and demand for efficient energy storage solutions,aqueous zinc ion batteries(AZIBs)have garnered significant attention due to their safety and environmental benefits.However,the stability of cathode materials under high-voltage conditions remains a critical challenge in improving its energy density.This review systematically explores the failure mechanisms of high-voltage cathode materials in AZIBs,including hydrogen evolution reaction,phase transformation and dissolution phenomena.To address these challenges,we propose a range of advanced strategies aimed at improving the stability of cathode materials.These strategies include surface coating and doping techniques designed to fortify the surface properties and structure integrity of the cathode materials under high-voltage conditions.Additionally,we emphasize the importance of designing antioxidant electrolytes,with a focus on understanding and optimizing electrolyte decomposition mechanisms.The review also highlights the significance of modifying conductive agents and employing innovative separators to further enhance the stability of AZIBs.By integrating these cutting-edge approaches,this review anticipates substantial advancements in the stability of high-voltage cathode materials,paving the way for the broader application and development of AZIBs in energy storage. 展开更多
关键词 Aqueous zinc ion battery High-voltage cathode materials Stability enhancement Failure mechanisms Electrolyte optimization
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The electronic interaction of encapsulating graphene layers with FeCo alloy promotes efficient CO_(2)Hydrogenation to light olefins 被引量:1
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作者 Miao Zhang Limin Zhang +3 位作者 Mingrui Wang Guanghui Zhang Chunshan Song Xinwen Guo 《Chinese Journal of Catalysis》 2025年第1期366-375,共10页
CO_(2)hydrogenation to value-added light olefins(C_(2-4)=)is crucial for the utilization and cycling of global carbon resource.Moderate CO_(2)activation and carbon chain growth ability are key factors for iron-based c... CO_(2)hydrogenation to value-added light olefins(C_(2-4)=)is crucial for the utilization and cycling of global carbon resource.Moderate CO_(2)activation and carbon chain growth ability are key factors for iron-based catalysts for efficient CO_(2)conversion to target C_(2-4)=products.The electronic interaction and confinement effect of electron-deficient graphene inner surface on the active phase are effective to improve surface chemical properties and enhance the catalytic performance.Here,we report a core-shell FeCo alloy catalyst with graphene layers confinement prepared by a simple sol-gel method.The electron transfer from Fe species to curved graphene inner surface modifies the surface electronic structure of the active phaseχ-(Fe_(x)Co_(1-x))_(5)C_(2)and improves CO_(2)adsorption capacity,enhancing the efficient conversion of CO_(2)and moderate C-C coupling.Therefore,the catalyst FeCoK@C exhibits C_(2-4)=selectivity of 33.0%while maintaining high CO_(2)conversion of 52.0%.The high stability without obvious deactivation for over 100 h and unprecedented C_(2-4)=space time yield(STY)up to 52.9 mmolCO_(2)·g^(-1)·h^(-1)demonstrate its potential for practical application.This work provides an efficient strategy for the development of high-performance CO_(2)hydrogenation catalysts. 展开更多
关键词 CO_(2)hydrogenation Lightolefins Graphene layers Cobalt-iron alloy carbide Electronicinteraction
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Arsenic speciation in more than 1600 freshwater fish samples from fifty-three waterbodies in Alberta,Canada 被引量:1
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作者 Chester Lau Xiufen Lu +8 位作者 Xiaojian Chen Karen S.Hoy Tetiana Davydiuk Jennifer A.Graydon Megan Reichert Adrienne LeBlanc Caitlyn Donadt Gian Jhangri X.Chris Le 《Journal of Environmental Sciences》 2025年第7期289-301,共13页
We report here arsenic speciation in 1643 freshwater fish samples,representing 14 common fish species from 53 waterbodies in Alberta,Canada.Arsenic species were extracted from fish muscle tissue.Arsenic species in the... We report here arsenic speciation in 1643 freshwater fish samples,representing 14 common fish species from 53 waterbodies in Alberta,Canada.Arsenic species were extracted from fish muscle tissue.Arsenic species in the extracts were separated using anion-exchange high-performance liquid chromatography(HPLC)and quantified using inductively coupled plasma mass spectrometry(ICPMS).The total arsenic concentrations in fish ranged from 2.8 to 1200μg/kg(in wet weight of sample)(mean 71±101μg/kg),which are all below the 2000μg/kg(wet weight)maximum allowable total arsenic in fish,recommended by the Ontario Ministry of the Environment.In 99.7%,or 1638 of all 1643 freshwater fish samples analyzed,arsenobetaine(AsB)was detectable,with concentrations higher than the method detection limit of 0.25μg/kg(wet weight).Dimethylarsinic acid(DMA)was detectable(concentration>0.25μg/kg)in 92.1%,or 1514 of the 1643 freshwater fish samples.Inorganic arsenate(iAs^(Ⅴ))was detectable(>0.25μg/kg)in 1119 fish(i.e.,68.1% of 1643 samples).Monomethylarsonic acid(MMA)was detectable(>0.25μg/kg)in 418 fish(25.4%of 1643 samples).The concentrations of arsenic species in the 1643 fish samples varied by as much as three orders of magnitude,ranging from below the method detection limit of 0.25μg/kg to the maximum concentrations of 380μg/kg for AsB,150μg/kg for DMA,70μg/kg for iAs^(Ⅴ),and 51μg/kg for MMA.AsB made up 46.1%±26.2% of total arsenic species.Arsenic speciation patterns varied between lake whitefish,northern pike,and walleye,the three most common types of fish analyzed.The relative proportion of DMA in northern pike was larger than in lake whitefish and walleye,and conversely,the relative proportion of iAs^(Ⅴ) was lower in northern pike.Seven unknown arsenic species were detected,and their chromatographic retention time did not match with those of available arsenic standards.At least one unknown arsenic species was detected in 33.4%,or 549 of 1643 freshwater fish samples.The concentrations of unknown arsenic species were as high as 61μg/kg.Future research is necessary to identify unknown arsenic species and to determine contributing factors to the observed arsenic species patterns and concentrations. 展开更多
关键词 Arsenic species Environmental monitoring Exposure assessment Freshwater fish Lake whitefish Northern pike WALLEYE Chromatography and mass SPECTROMETRY Speciation patterns
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Variation of Membrane Electrode Assembly Catalyst Layer in Unitized Regenerative Fuel Cell
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作者 Yollanda Nurcholifah Dedi Rohendi +4 位作者 Edy Herianto Majlan Nirwan Syarif Addy Rachmat Dwi Hawa Yulianti Nyimas Febrika S 《电化学(中英文)》 北大核心 2025年第4期32-43,共12页
A unitized regenerative fuel cell(URFC)is a device that may function reversibly as either a fuel cell(FC)or water elec-trolysis(WE).An important component of this device is the Membrane electrode assembly(MEA).Therefo... A unitized regenerative fuel cell(URFC)is a device that may function reversibly as either a fuel cell(FC)or water elec-trolysis(WE).An important component of this device is the Membrane electrode assembly(MEA).Therefore,this study aimed to compare the performance outcomes of MEA using electrodes with single and three catalyst layers.This study measured Electrochemical Surface Area(ECSA),Electrochemical Impedance Spectroscopy(EIS),X-ray Diffraction analysis(XRD),and X-ray Fluorescence(XRF).Furthermore,the round-trip efficiency(RTE)of the MEA,as w ell as the performance in FC and WE mode,was measured.In comparison,The ECSA values of Pt-Ru/C and Pt/C with three catalyst layers were higher than the single catalyst layer.This result was supported by electrode characterization data for XRD and XRF.The respective electrical conductivity values of Pt-Ru/C and Pt/C with three catalyst layers are also higher than the single cata-lyst layer,and the performance of URFC using MEA with three catalyst layers has the highest value of RTE among the MEA performances of URFC,which is 100%at a current density of 4 mA·cm-2. 展开更多
关键词 Unitized regenerative fuel cell Round trip efficiency Pt-Ru/C Membrane electrode assembly Electrochemical surface area
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A Fully‑Printed Wearable Bandage‑Based Electrochemical Sensor with pH Correction for Wound Infection Monitoring
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作者 Kanyawee Kaewpradub Kornautchaya Veenuttranon +2 位作者 Husanai Jantapaso Pimonsri Mittraparp‑arthorn Itthipon Jeerapan 《Nano-Micro Letters》 SCIE EI CAS 2025年第3期355-375,共21页
Wearable sensing systems have been designed to monitor health conditions in real-time by detecting analytes in human biofluids.Wound diagnosis remains challenging,necessitating suitable materials for high-performance ... Wearable sensing systems have been designed to monitor health conditions in real-time by detecting analytes in human biofluids.Wound diagnosis remains challenging,necessitating suitable materials for high-performance wearable sensors to offer prompt feedback.Existing devices have limitations in measuring pH and the concentration of pH-dependent electroactive species simultaneously,which is crucial for obtaining a comprehensive understanding of wound status and optimizing biosensors.Therefore,improving materials and analysis system accuracy is essential.This article introduces the first example of a flexible array capable of detecting pyocyanin,a bacterial virulence factor,while correcting dynamic pH fluctuations.We demonstrate that this combined sensor enhances accuracy by mitigating the impact of pH variability on pyocyanin sensor response.Customized screen-printable inks were developed to enhance analytical performance.The analytical performances of two sensitive sensor systems(i.e.,fully-printed porous graphene/multiwalled carbon nanotube(CNT)and polyaniline/CNT composites for pyocyanin and pH sensors)are evaluated.Partial least square regression is employed to analyze nonzero-order data arrays from square wave voltammetric and potentiometric measurements of pyocyanin and pH sensors to establish a predictive model for pyocyanin concentration in complex fluids.This sensitive and effective strategy shows potential for personalized applications due to its affordability,ease of use,and ability to adjust for dynamic pH changes. 展开更多
关键词 PYOCYANIN BANDAGES Wound monitoring Biosensor Wearable device
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Recent Advances in Non-Enzymatic Electrochemical Sensors for Theophylline Detection
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作者 Ernis Gustria Putri Yulia M T A +5 位作者 Syauqi Muhammad Iqbal Jiwanti Prastika Krisma Hartati Yeni Wahyuni Kondo Takeshi Anjani Qonita Kurnia Gunlazuardi Jarnuzi 《电化学(中英文)》 北大核心 2025年第3期1-24,共24页
Detection of target analytes at low concentrations is significant in various fields,including pharmaceuticals,healthcare,and environmental protection.Theophylline(TP),a natural alkaloid used as a bronchodilator to tre... Detection of target analytes at low concentrations is significant in various fields,including pharmaceuticals,healthcare,and environmental protection.Theophylline(TP),a natural alkaloid used as a bronchodilator to treat respiratory disorders such as asthma,bronchitis,and emphysema,has a narrow therapeutic window with a safe plasma concentration ranging from 55.5-111.0μmol·L^(-1)in adults.Accurate monitoring of TP levels is essential because too low or too high can cause se-rious side effects.In this regard,non-enzymatic electrochemical sensors offer a practical solution with rapidity,portability,and high sensitivity.This article aims to provide a comprehensive review of the recent developments of non-enzymatic electrochemical sensors for TP detection,highlighting the basic principles,electro-oxidation mechanisms,catalytic effects,and the role of modifying materials on electrode performance.Carbon-based electrodes such as glassy carbon electrodes(GCEs),carbon paste electrodes(CPEs),and carbon screen-printed electrodes(SPCEs)have become the primary choices for non-enzymatic sensors due to their chemical stability,low cost,and flexibility in modification.This article identifies the sig-nificant contribution of various modifying materials,including nanomaterials such as carbon nanotubes(CNTs),graphene,metal oxides,and multi-element nanocomposites.These modifications enhance sensors’electron transfer,sensitivity,and selectivity in detecting TP at low concentrations in complex media such as blood plasma and pharmaceutical samples.The electro-oxidation mechanism of TP is also discussed in depth,emphasizing the hydroxyl and carbonyl reaction pathways strongly influenced by pH and electrode materials.These mechanisms guide the selection of the appropriate electrode ma-terial for a particular application.The main contribution of this article is to identify superior modifying materials that can improve the performance of non-enzymatic electrochemical sensors.In a recent study,the combination of multi-element nanocomposites based on titanium dioxide(TiO_(2)),CNTs,and gold nanoparticles(AuNPs)resulted in the lowest detection limit of 3×10^(-5)μmol·L^(-1),reflecting the great potential of these materials for developing high-performance electrochemical sensors.The main conclusion of this article is the importance of a multidisciplinary approach in electrode material design to support the sensitivity and selectivity of TP detection.In addition,there is still a research gap in understanding TP’s more detailed oxidation mechanism,especially under pH variations and complex environments.Therefore,further research on electrode modification and analysis of the TP oxidation mechanism are urgently needed to improve the accuracy and sta-bility of the sensor while expanding its applications in pharmaceutical monitoring and medical diagnostics.By integrating various innovative materials and technical approaches,this review is expected to be an essential reference for developing efficient and affordable non-enzymatic electrochemical sensors. 展开更多
关键词 Theophylline detection Non-enzymatic sensors Electrochemical sensors Modifier electrode Reaction mechanism
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Fluvoxamine:First comprehensive insights into its molecular characteristics and inclusion complexation with β-cyclodextrin
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作者 Thammarat Aree 《Journal of Pharmaceutical Analysis》 2025年第1期138-150,共13页
Fluvoxamine(FXM)is a well-known selective serotonin reuptake inhibitor(SSRI)for treating depression and has recently been repurposed for efficacious treatment of coronavirus disease 2019.Although cyclodextrin(CD)encap... Fluvoxamine(FXM)is a well-known selective serotonin reuptake inhibitor(SSRI)for treating depression and has recently been repurposed for efficacious treatment of coronavirus disease 2019.Although cyclodextrin(CD)encapsulation effectively improves the physicochemical properties of structurally diverse SSRIs,the molecular understanding of their associations is deficient.This comprehensive study used single-crystal X-ray diffraction integrated with density functional theory(DFT)calculation to provide deep insights into the conformationally flexible FXM and its inclusion complexation withβ-CD.Xray analysis revealed the first crystallographic evidence of the uncomplexed 3FXM-H^(+)·3maleate-(1).Three FXM-H^(+)ions are counter-balanced by three planar maleate-ions to form a thin layer stabilized by infinite fused H-bond rings R_(4)^(4)(12)and R_(6)^(4)(16)and the interplay ofπ…π,CF…πand F…F interactions.For 2β-CD·2FXM-H^(+)·maleate^(2-)·23·2H_(2)O(2),the tail-to-tailβ-CD dimer encapsulates two FXM-H^(+)4-(trifluoromethyl)phenyl moieties,which are charge-balanced by the rare non-planar maleate2and stabilized by N…OH…O H-bonds and F…F interactions.This is a hostevip recognition pattern uniquely observed for allβ-CD complexes with halogen(X)-bearing SSRIs,indicating the essence of X…X interactions and the shielding of X-containing moieties in the wall of theβ-CD dimer.DFT calculations unveiled that the monomeric and dimericβ-CD-FXM complexes and FXM isomers are energetically stable,which alleviates the numbness and bitterness of the orally administered drug as previously patented.Additionally,an insightful conformational analysis of FXM emphasizes the importance of drug structural adaptation in pharmacological functions. 展开更多
关键词 Conformational flexibility Β-CYCLODEXTRIN Fluvoxamine maleate SSRIS X-ray analysis DFT calculation
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Construction of ternary structured Dy_(2)O_(3) nanorods/carbon spheres/few layered Dy_(2)WO_(6) nanohybrids for electrochemical supercapacitors
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作者 Sethumathavan Vadivel P.Sujita 《Journal of Rare Earths》 2025年第10期2222-2230,I0006,共10页
In this work,Dy_(2)O_(3)rods and layered Dy_(2)WO_(6)heterostructure were effectively interconnected by carbon spheres named Dy_(2)O_(3)/Dy_(2)WO_(6)/C-sph nanocomposite with a confined interface and it was fabricated... In this work,Dy_(2)O_(3)rods and layered Dy_(2)WO_(6)heterostructure were effectively interconnected by carbon spheres named Dy_(2)O_(3)/Dy_(2)WO_(6)/C-sph nanocomposite with a confined interface and it was fabricated using a simple solvothermal approach.These ternary nanocomposites were investigated by X-ray diffraction(XRD),UV-visible diffuse-reflectance spectroscopy(UV-DRS),Fourier transform-infrared spectroscopy(FT-IR),Raman,field emission scanning electron microscopy(FESEM)with energy disperse spectroscopy(EDS),high-resolution transmission electron microscopy(HRTEM),and X-ray photoelectron spectroscopy(XPS)analyses systematically.The XRD data expose that the synthesized materials are formed with a virtuous crystalline state.The charge storage properties and electrochemical performances of the as-synthesized nanocomposites and pure components were assessed with the help of cyclic voltammogram(CV),galvanostatic charge-discharge studies(GCD),and electrochemical impedance studies(EIS),respectively.The rare-earth-based novel Dy_(2)O_(3)/Dy_(2)WO_(6)/C-sph nanocomposite as wo rking electrodes established commendable electrochemical perfo rmances with a maximum specific capacitance value of 123 F/g at a current density of 0.4 A/g in 2.0 mol/L aqueous KOH solution.According to the stability measurements,it was observed that the initial capacitance was maintained at~93%even after 2500 cycles,indicating that good electrochemical stability with the lowest internal resistance values was obtained from EIS analysis.The electrochemical measurements suggest that the Dy_(2)O_(3)/Dy_(2)WO_(6)/C-sph nanocomposite enables great competence and can be used as alternative electrode material in supercapacitor devices to avail high energy efficiency in a sustainable approach. 展开更多
关键词 Dy_(2)O_(3) Dy_(2)WO_(6) Rare earths Carbon spheres Composite Supercapacitors
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Experimental and computational insight in thermodynamic properties of binary mixtures of acetonitrile with trichloroethene or tetrachloroethene at different temperatures
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作者 Hadi Taheri Parsa Hossein Iloukhani Khatereh Kh an larzadeh 《Chinese Journal of Chemical Engineering》 2025年第4期328-340,共13页
Density(p),speed of sound(u),viscosity(η),and refractive index(n_(D))were measured for pure acetonitrile,trichloroethene,and tetrachloroethene,as well as their binary mixtures at temperatures T=(293.15,298.15,303.15)... Density(p),speed of sound(u),viscosity(η),and refractive index(n_(D))were measured for pure acetonitrile,trichloroethene,and tetrachloroethene,as well as their binary mixtures at temperatures T=(293.15,298.15,303.15)K and at ambient pressure(81.5 kPa).From the experimental data,excess molar volume(V_(m)~E),thermal expansion coefficients(α),deviations in isentropic compressibility(Δκ_(S)),viscosity(Δ_η),and refractive index(Δn_(D))were calculated.These values were then correlated using the Redlich-Kister polynomial equation,with fitting coefficients and standard deviations determined.Additionally,the Prigogine-Flory-Patterson(PFP)theory and the Extended Real Associated Solution(ERAS)model were employed to correlate the excess molar volume,while the Perturbed Chain Statistical Associating Fluid Theory(PC-SAFT)was used to predict the density of mixtures. 展开更多
关键词 Thermodynamic properties Mixture Viscosity PFP theory ERAS model PC-SAFT model
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Preparation,characterization and photocatalysis performances of superparamagnetic MgFe_(2)O_4@CeO_(2) nanocomposites:Synthesized via an easy and green sol-gel method
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作者 Saeid Taghavi Fardood Fateme Yekke Zare +1 位作者 Farzaneh Moradnia Ali Ramazani 《Journal of Rare Earths》 2025年第4期736-742,I0004,共8页
The characte rization of MgFe_(2)O_(4)@CeO_(2) superparamagnetic nanocomposites was tho roughly investigated using powder X-ray diffraction(XRD),a vibrating sample magnetometer(VSM),scanning electron microscopy(SEM),d... The characte rization of MgFe_(2)O_(4)@CeO_(2) superparamagnetic nanocomposites was tho roughly investigated using powder X-ray diffraction(XRD),a vibrating sample magnetometer(VSM),scanning electron microscopy(SEM),dispersive X-ray analysis(EDX),elemental mapping(MAP),transmission electron microscopy(TEM),Brunauer-Emmett-Teller(BET) and UV-Vis diffuse reflectance spectroscopy(DRS)analyses.The photocatalytic activity of the synthesized samples was evaluated as a novel magnetic nanocatalyst for degrading Congo red(CR) dye in an aqueous solution under visible light at room conditions.The results demonstrate that the efficiency of photocatalytic degradation is higher than that of absorbance and photolysis.The degradation efficiency of photodegradation is 93% within 49% of total organic carbon removal performance.The prepared MgFe_(2)O_(4)@CeO_(2) magnetic nanocomposites(MNCs)can be easily recovered and recycled for five repeated cycles,demonstrating potential extensive efficiency in magnetic nanocomposites in wastewater and water treatment.The nanoscale morphology of MgFe_(2)O_(4)@CeO_(2) MNCs was characterized as spherical,with a size range of 35-40 nm,utilizing SEM and TEM techniques.The saturation magnetization(M_(s)) of the resulting nanocomposites was analyzed by VSM,revealing a value of 3.58 emu/g.Furthermore,the surface area was determined to be 27.194 m^(2)/g using BET analysis,and the band gap was identified as 2.85 eV through DRS analysis. 展开更多
关键词 SUPERPARAMAGNETIC Dye degradation Green synthesis Magnetic nanocomposites Cerium oxide Rare earths
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Alkaline Treatment of Straw for Composite Material Production and Its Impact on Water Vapor Adsorption Characteristics
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作者 Martin Böhm MilošJerman +4 位作者 Martin Keppert Klára Kobetičová Dana Koňáková Milena Pavlíková RobertČerný 《Journal of Renewable Materials》 2025年第2期363-383,共21页
The effect of using 2%and 10%sodium hydroxide solution as surface treatment of rape straw on its water vapor adsorption properties is analyzed in the relative humidity(RH)range of 0%to 98%.Scanning electron microscopy... The effect of using 2%and 10%sodium hydroxide solution as surface treatment of rape straw on its water vapor adsorption properties is analyzed in the relative humidity(RH)range of 0%to 98%.Scanning electron microscopy(SEM),energy dispersive spectroscopy(EDS),and Fourier-transform infrared spectroscopy(FTIR)are used to investigate the morphological,chemical and structural changes of the treated straw surface.The mineral particles formed on the surface after the treatment are analyzed using X-ray diffraction(XRD).The application of sodium hydroxide solution results in the disruption of the straw surface.As the concentration of sodium hydroxide increases,the disruption of the straw surface increases,and the ability of the straw to adsorb water vapor also increases over the entire RH range.In addition to the surface disruption and chemical changes caused by the alkaline treatment,the differences in the equilibrium moisture content of treated and untreated rape straw can also be attributed to the formation of minerals on the straw surface,namely calcite for the 2%sodium hydroxide solution,and gaylussite and thermonatrite for the 10%solution. 展开更多
关键词 Modification of straw surface alkaline treatment sorption mechanism Guggenheim-Anderson-de Boer model(GAB)
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Potentially Toxic Element Contamination of Groundwater,Surface Water and Tap Water in Kipushi Town and Lupoto Locality,Southeastern Democratic Republic of Congo
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作者 Bamba Bukengu Muhaya Benjamin Busomoke Badarhi Emery Mutombo Kalonda 《Journal of Environmental Science and Engineering(A)》 2025年第2期99-112,共14页
Groundwater,surface water and tap water contamination by PTEs(Potentially Toxic Elements)was assessed in Kipushi town and Lupoto locality of Kipushi administrative territory in the Upper-Katanga province,Democratic Re... Groundwater,surface water and tap water contamination by PTEs(Potentially Toxic Elements)was assessed in Kipushi town and Lupoto locality of Kipushi administrative territory in the Upper-Katanga province,Democratic Republic of Congo.A total of fifty four water samples including thirty two samples from drilled water wells,ten samples from spade-sunk water wells,six samples from supplied tap water,four samples from a mine effluent and two samples from a river were collected from both localities in November and December 2017 and in January,February and March 2018.Then the samples were analyzed for their PTE contents by ICP-SF-MS(Inductively Coupled Plasma-Sector Field Mass Spectrometry).Twenty PTEs including aluminum,arsenic,barium,bismuth,cadmium,cesium,chromium,cobalt,copper,iron,lead,manganese,molybdenum,nickel,strontium,thallium,tungsten,uranium,vanadium and zinc were detected at various concentrations in each one of the samples.Many samples had concentrations and mean concentrations of PTE,such as arsenic,aluminum,cadmium,iron,lead,manganese and zinc,higher than the respective acceptable limits set for drinking water by the EU(European Union),the USEPA(United States Environmental Protection Agency),and the WHO(World Health Organization)standards.Most PTEs being deleterious to human health even at very low concentrations,people who use the groundwater,surface water and tap water to meet their water needs in both localities are at risk. 展开更多
关键词 CONTAMINATION PTEs groundwater surface water tap water Kipushi Lupoto Upper-Katanga CONGO
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Cobalt-modified nitrogen-doped carbon nanotubes as bifunctional catalysts for one-pot synthesis of 2,5-diformylfuran from glucose
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作者 Trinh Hao Nguyen Dao Anh Le Nguyen +4 位作者 Duy Quoc Mai Mai Ngoc Thi Le Diep Dinh Le Ha Bich Phan Phuong Hoang Tran 《Journal of Energy Chemistry》 2025年第4期440-447,共8页
In the past century,industrial and economic growth relied heavily on fossil fuels such as coal,oil,and natural gas.As the society energy demands continue to grow,these fossil fuel reserves are depleted,leading to sign... In the past century,industrial and economic growth relied heavily on fossil fuels such as coal,oil,and natural gas.As the society energy demands continue to grow,these fossil fuel reserves are depleted,leading to significant environmental issues[1].Currently,sustainable biomass resources have attracted much attention as potential substitutes to fossil fuels for producing biofuels and commodity chemicals[2]. 展开更多
关键词 commodity chemicals fossil fuels diformylfuran fossil fuel one pot synthesis natural gasas bifunctional catalysts cobalt modified nitrogen doped carbon nanotubes
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Convenient and highly efficient adsorption of diosmetin from lemon peel by magnetic surface molecularly imprinted polymers 被引量:1
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作者 Dongliang Xie Yi Kuang +12 位作者 Bingnan Yuan Yunlong Zhang Chenyu Ye Yuyi Guo Hua Qiu Juanna Ren Saud O.Alshammari Qamar A.Alshammari Zeinhom M.El-Bahy Kui Zhao Zhanhu Guo Qingqing Rao Shengxiang Yang 《Journal of Materials Science & Technology》 2025年第8期159-170,共12页
As a typical bioflavonoid,diosmetin is desirable in the field of natural medicine,healthy food,and cosmetics by anti-cancer,antibacterial,antioxidant,estrogen-like and anti-inflammatory activities,and it comes from a ... As a typical bioflavonoid,diosmetin is desirable in the field of natural medicine,healthy food,and cosmetics by anti-cancer,antibacterial,antioxidant,estrogen-like and anti-inflammatory activities,and it comes from a wide range of sources in traditional Chinese medicine like spider fragrance,spearmint and chrysanthemum,as well as in Citrus fruit.However,traditional analytical methods such as silica gel column chromatography face multiple challenges in the selective extraction of diosmetin from biological materials and traditional Chinese medicinal materials.Therefore,it is urgent to develop a new type of absorbent with high efficiency,recyclability and good specificity to diosmetin.In this investigation,a magnetic surface molecularly imprinted polymer(labeled as Diosmetin/SMIPs)was synthesized employing magnetic nanoparticles as the carrier and 4-vinylpyridinyl(4-VP)as the functional monomer by surface imprinting technology.The functional monomer was screened by the binding energy(△E)between functional monomers and template molecules via computational simulation.The Diosmetin/SMIPs had a high level of specific recognition and adsorption capability towards diosmetin with a 20.25 mg g^(-1) adsorption capacity and an imprinting factor(IF)of 2.28.Additionally,it demonstrated excellent regeneration performance with 8 adsorption/desorption cycles.In addition,91.20%-94.16% of spiked diosmetin was recovered from the lemon peel samples.The strategy of constructing Diosmetin/SMIPs based on computational simulation can effectively enhance the specific adsorption performance of diosmetin.Meanwhile,Diosmetin/SMIPs synthesized by imprinting polymerization showed excellent anti-interference and reusability,and realized efficient targeted extraction of diosmetin from lemon peel samples.The results of this investigation provide a promising adsorbent for selective enrichment of diosmetin from Citrus fruit and complicated materials. 展开更多
关键词 Diosmetin Selective extraction Magnetic molecularly imprinted polymer Lemon peel
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Enhanced electrocatalytic activities in TiO_(2)-sulfur nanoparticles decorated graphene nanocomposite electrode for detecting formaldehyde compound
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作者 Maulidiyah Maulidiyah Muhammad Nurdin +5 位作者 WD Syafitri Salsabila Suryani Dyah Astuti Thamrin Azis La Ode Muhammad Zuhdi Mulkiyan La Ode Agus Salim Akrajas Ali Umar 《Chinese Journal of Chemical Engineering》 2025年第4期213-219,共7页
The unique properties of TiO_(2)-sulfur(TiO_(2)-S)modified graphene nanocomposite electrode(GPE/TiO_(2)-S)in the electrochemical sensing of formaldehyde compound has been evaluated.We prepared TiO_(2)-S by hydrotherma... The unique properties of TiO_(2)-sulfur(TiO_(2)-S)modified graphene nanocomposite electrode(GPE/TiO_(2)-S)in the electrochemical sensing of formaldehyde compound has been evaluated.We prepared TiO_(2)-S by hydrothermal method and modified the graphene nanocomposite electrode by applying electrochemical cyclic voltammetry(CV)approach.The TiO_(2)-S nanocomposite was characterized by X-ray diffraction(XRD),while the GPE/TiO_(2)-S was examined by scanning electron microscopy(FESEM)and X-Ray fluorosense(XRF)techniques.TiO_(2)-S has a grain size of 19.32 nm.The surface morphology of the GPE/TiO_(2)-S nanocomposite shows a good,intact,and tightly porous structure with TiO_(2)-S covers the graphene surface.The content of optimized GPE/TiO_(2)-S electrodes is 41.5%of graphene,37.8%of TiO_(2),and 12.4%of sulfur that was prepared by mixing 1 g of TiO_(2)-S with 0.5 g of graphene and 0.3 mL paraffin.The GPE/TiO_(2)-S electrode produces a high anodic current(I_(pa))of 800μA and a high cathodic current(I_(pc))of-600μA at a scan rate of 0.1 V·s^(-1)using an electrolyte0.01 mol·L^(-1)K_3[Fe(CN)_6]solution containing 150 mg·L^(-1)formaldehyde.The limit of detection can reach as low as 9.7 mg·L^(-1)with stability with Horwitz ratio value as low as 0.397.The composite electrode also exhibits excellent slectivity properties by showing clear formaldehyde sugnal in the presence of high concentration of interfering agent.GPE/TiO_(2)-S electrode should find potential application of formaldehyde detection in food industries. 展开更多
关键词 Food safety FORMALDEHYDE VOLTAMMETRY GRAPHENE TiO_(2)-S
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