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Optoelectronic and thermoelectric properties of spinel chalcogenides HgLa2X4（X=S and Se）:A first-principles study

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Journal of Rare Earths 2024年第10期42卷 1927-1936页

作者： Aparna Dixit Inas A.Ahmed Jisha Annie Abraham Zeinhom M.El-Bahy Mumtaz Manzoor Sajad Ahmad Dar Ramesh Sharma department of Basic science and Humanities Pranveer Singh Institute of Technology department of chemistry Faculty of ScienceKing Khalid University department of Physics National Defence Academy department of chemistry Faculty of ScienceAl-Azhar University Institute of Physics Slovak Academy of Sciences department of Physics Motilal Vigyan Mahavidyalya College department of Applied science Feroze Gandhi Institute of Engineering and Technology

We investigated spinel chalcogenides HgLa2（S/Se）4by using density function theory,and scrutinized the structural,optical,electrical,mechanical and thermoelectric transport characteristics of HgLa2（S/Se）4spinel *** enthalpy of formation,energy of cohesion,and energy volume optimum plots were used to obtain the stability as well as the perfect ground state of these *** ductility of these materials was the best illustrated with the help of Poisson's and Pugh's *** band gap results were obtained using Trans and Blaha modified Becke-Johanson potential（TB-mBJ）.Both the materials present semi-conducting nature with direct band gap equal to 1.449 and 0.892 eV respectively for HgLa2S4and *** were also made for optical characteristics with the values of dielectric function,absorption coefficient,optical conductivity,reflectivity,and refractive *** to the findings,both of these materials are suitable for infrared optoelectronic *** materials were found to have promising optoelectronic and thermoelectric applications after their optical properties and transport aspects were *** tiny levels of temperature conductivities,substantial am ounts of power conductivities,the figure of merit（more than unity）,as well as Seebecs coefficients all point to the potential use of both the materials in thermoelectric power generators.

关键词： Density functional theory Direct band gap Optoelectronic Power factor Semiconductors Thermoelectric

Properties of Activated Carbons from Sugarcane Leaves and Rice Straw Derived Charcoals by Activation at Low Temperature via KMnO_(4)Pre-Oxidation-Hydrolysis

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Journal of Renewable Materials 2024年第8期12卷 1433-1454页

作者： Sumrit Mopoung Narissara Namkaew and Sasiwan Srikasaem chemistry department Faculty of ScienceNaresuan UniversityPhitsanulok65000Thailand

Activated carbon preparation from sugarcane leaves and rice straw by carbonization(250℃–400℃)and activation at 500℃were *** effects of pre-oxidation,hydrolysis of derived charcoals by boiled KMnO4 aqueous solution were *** derived charcoals products were pretreated using oxidation-hydrolysis with 1–5 wt.%KMnO4 at 100℃and then activated at 500℃.The derived charcoal and activated carbon products were characterized by FTIR,XRD,SEM-EDS and *** number and methylene blue number of derived products were also used for the analysis of the *** was found that fabricated charcoal materials made at 350℃–400℃possess good characteristics with low content of surface functional groups and high carbon *** pre-oxidation-hydrolysis and activation at 500℃,the resulting derived activated carbon materials from charcoals with 400℃carbonization temperature have high content of oxygen containing surface functional groups such as Mn-O,Si-O,Si-O-Si,C-O,or *** addition,MnO2 accumulated on the surface of the derived activated carbon *** surface area and pore volume of the activated carbon products have also increased with increasing of KMnO4 concentration from 1 to 3 wt.%and then decreased with 5 wt.%used during ***,activated carbon products made by pre-oxidation-hydrolysis with 3 wt.%KMnO4 were used for Fe(Ⅲ)adsorption *** was found that Fe(Ⅲ)adsorption on the activated carbon materials can be fitted with both the Freundlich and the Langmuir *** calculated maximum Fe(Ⅲ)adsorption capacities of sugarcane leaves derived activated carbon and rice straw derived activated carbon products were 50.00 and 39.37 mg/g,*** was shown that the effect of pre-oxidation-hydrolysis by KMnO4 and activation at 500℃are beneficial for activated carbon preparation with environmentally friendly and low-cost simplified operation.

关键词： Activated carbon potassium permanganate pre-oxidation-hydrolysis low carbonization temperature low activation temperature

The Influence of Tartaric Acid in the Silver Nanoparticle Synthesis Using Response Surface Methodology

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Journal of Renewable Materials 2024年第2期12卷 245-258页

作者： Yatim Lailun Ni’mah Afaf Baktir Dewi Santosaningsih Suprapto Suprapto chemistry department Faculty of Science and Data AnalyticsInstitut Teknologi Sepuluh NopemberSurabayaIndonesia chemistry department Faculty of Science and TechnologyAirlangga UniversitySurabayaIndonesia department Clinical Microbiology Faculty of MedicineBrawijaya UniversityMalangIndonesia

Silver nanoparticles(AgNPs)synthesized using tartaric acid as a capping agent have a great impact on the reaction kinetics and contribute significantly to the stability of *** protective layer formed by tartaric acid is an important factor that protects the silver surface and reduces potential cytotoxicity *** attributes are critical for assessing the compatibility of AgNPs with biological systems and making them suitable for drug delivery *** aim of this research is to conduct a comprehensive study of the effect of tartaric acid concentration,sonication time and temperature on the formation of silver *** Response Surface Methodology(RSM)with Face-Centered Central Composite Design(FCCD),the optimization process identifies the most favorable synthesis ***-Vis spectrum regression analysis shows that AgNPs stabilized with tartaric acid are more stable than AgNPs without tartaric *** highlights the increased stability that tartaric acid provides in AgNP *** size distribution analysis showed a multimodal distribution for AgNPs with tartaric acid and showed the smallest size peak with an average size of 20.53 *** second peak with increasing intensity shows a dominant average size of 108.8 nm accompanied by one standard deviation of 4.225 nm and a zeta potential of−11.08 *** contrast,AgNPs synthesized with polyvinylpyrrolidone(PVP)showed a unimodal particle distribution with an average particle size of 81.62 nm and a zeta potential of−2.96 *** more negative zeta potential of AgNP-tartaric acid indicates its increased *** of antibacterial activity showed that AgNPs stabilized with tartaric acid showed better performance against *** and *** bacteria compared with *** summary,this study highlights the potential of tartaric acid in AgNP synthesis and suggests an avenue for the development of stable AgNPs with versatile applications.

关键词： Tartaric acid silver nanoparticle polyvinyl pyrrolidone response surface methodology

Contrasting compositions of PM_(2.5)in Northern Thailand during La Nina(2017)and El Nino(2019)years

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Journal of Environmental sciences 2024年第1期135卷 585-599页

作者： Pavidarin Kraisitnitikul Duangduean Thepnuan Sarana Chansuebsri Nuttipon Yabueng Wan Wiriya Supattarachai Saksakulkrai Zongbo Shi Somporn Chantara Environmental science Research Center Faculty of ScienceChiang Mai UniversityChiang Mai50200Thailand department of chemistry Faculty of Science and TechnologyChiang Mai Rajabhat UniversityChiang Mai50300Thailand chemistry department Faculty of ScienceChiang Mai UniversityChiang Mai50200Thailand School of Geography Earth and Environmental SciencesUniversity of BirminghamBirminghamB152TTUK

There have been a very limited number of systematic studies on PM_(2.5)compositions and their source contribution in Southeast *** study aims to explore the characteristics of PM_(2.5)composition collected in Chiang Mai(Thailand)during La Nina and El Nino years and to apportion their sources during smoke haze and non-haze *** average PM_(2.5)concentration of smoke haze episode in 2019(El Nino)was much higher than in 2017(La Nina).The ratios of organic carbon(OC)to elemental carbon(EC),as well as K(biomass burning(BB)tracer)to PM_(2.5),were higher during smoke haze episodes in 2019 than in 2017 indicating a significant influence from *** ratios of secondary organic carbon(SOC)levels to primary organic carbon(POC)levels during smoke haze episodes were higher than those in non-haze period,which indicated greater SOC contributions or more photo-oxidation of precursors in haze episodes with high ambient ***,the ratios of soil markers(Ca and Mg)during non-haze period were high implying that soil source contributed more to PM_(2.5)concentrations when there less BB *** positive Matrix Factorization(PMF)model revealed that the source of BB,characterized by high K fractions,was the largest contributor during smoke haze episodes accounting for 50%(2017)and 79%(2019).Climate conditions influence meteorological patterns,particularly during incidences of extreme weather such as droughts,which affect the scale and frequency of open burning and thus air pollution levels.

关键词： Climate Air pollution Metals Carbon Biomass burning Source identification

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Multicolor circularly polarized phosphorescence of axially chiral binuclear platinum(Ⅱ) complexes

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science China chemistry 2024年第11期67卷 3757-3766页

作者： Jintong Song Rui Zeng Hui Xiao Hailiang Ni Zong-Xiang Xu Haifeng Xiang College of chemistry and Materials science Sichuan Normal University department of chemistry Southern University of Science and Technology College of chemistry Sichuan University

D-A charge transfer, including through-bond charge transfer and through-space charge transfer between two different electron donors（D） and electron acceptors（A）, is a fundamental and powerful tool to tune the optical properties of organic dyes. Herein,we demonstrate a unique strategy to tune phosphorescence and circularly polarized luminescence properties of axially chiral binuclear Pt（Ⅱ） complexes through long-range charge transfer, even though these molecules have two totally identical segments on either side of the chiral core. The presence of axial chirality would break not only the symmetry of molecular structure and π-conjugation system but also the symmetry of charge distribution for long-range charge transfer. These binaphthyl-based Pt（Ⅱ）complexes bearing coordinated atoms far away from chiral axis exhibit no Pt-Pt interactions but colorful concentrationdependent phosphorescence with quantum yield up to 86.4% and could be applied as emitters in highly efficient solutionprocessed organic light-emitting diodes to achieve luminance, luminance efficiency, power efficiency, external quantum efficiency, and asymmetry factor up to 8.94 × 10～3cd m-2, 41.9 cd A-1, 18.8 lm W-1, 12.6% and 2.98 × 10-3, respectively. Therefore,the present work affords a new and simple way to utilize the inherently asymmetric advantage of chirality for the design of D-Abased organic dyes.

关键词： Pt(II) complexes organic light-emitting diodes circularly polarized phosphorescence axial chirality

Template-Induced Graphitic Nanodomains in Nitrogen-Doped Carbons Enable High-Performance Sodium-Ion Capacitors

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Energy & Environmental Materials 2024年第4期7卷 295-303页

作者： Chun Li Zihan Song Minliang Liu Enrico Lepre Markus Antonietti Junwu Zhu Jian Liu Yongsheng Fu Nieves López-Salas Key Laboratory for Soft chemistry and Functional Materials of Ministry of Education Nanjing University of Science and Technology Colloid chemistry department Max Planck Institute of Colloids and Interfaces School of Engineering Faculty of Applied Science University of British Columbia

Sodium-ion capacitors (SICs) have great potential in energy storage due to their low cost,the abundance of Na,and the potential to deliver high energy and power *** article demonstrates a template-assisted method to i... 详细信息

关键词： anode graphitic nanodomains N-doped carbons sodium-ion capacitor template

DPY19L3 promotes vasculogenicmimicry by its C-mannosyltransferase activity

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Oncology Research 2024年第4期32卷 607-614页

作者： HASSAN BAYDOUN YUJI KATO HIROKI KAMO ANNA HÜSCH HAYATO MIZUTA RYOTA KAWAHARA SIRO SIMIZU department of Applied chemistry Faculty of Science and TechnologyKeio UniversityYokohama223-8522Japan department of Pharmacy and Biochemistry Faculty of ScienceUniversity of TübingenTübingen72074Germany

C-mannosylation is a post-translational modification that occurs intracellularly in the endoplasmic *** humans,biosynthesis of C-mannosylation in proteins containing thrombospondin type 1 repeat is catalyzed by the DPY19 family;nonetheless,biological functions of protein C-mannosylation are not yet fully understood,especially in tumor *** mimicry(VM)is the formation of fluid-conducting channels by highly invasive and genetically deregulated tumor cells,enabling the tumors to form matrix-embedded vasculogenic structures,containing plasma and blood cells to meet the metabolic demands of rapidly growing *** this study,we focused on DPY19L3,a C-mannosyltransferase,and aimed to unravel its role in *** of DPY19L3 inhibited the formation of VM in HT1080 human fibrosarcoma ***-expression of wild-type DPY19L3 recovered VM formation;however,DPY19L3 isoform2,an enzymatic activity-defect mutant,did not restore it,suggesting that the C-mannosyltransferase activity of DPY19L3 is crucial to its ***,the knockdown of DPY19L3 in MDA-MB-231 breast cancer cells hindered its network formation ***,our findings suggest that DPY19L3 is required for VM formation and stipulate the relevance of C-mannosylation in oncogenesis.

关键词： C-mannosylation Vasculogenic mimicry DPY19L3

Facile in situ synthesis and characterization of Fe@Si/zeolite Na composites with magnetic core–shell structures from natural materials for enhanced curcumin loading capacity

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Nanotechnology and Precision Engineering 2024年第2期7卷 69-86页

作者： Munasir Nasir Nuhaa Faaizatunnisa Muhammad Naufal Ariesta Lydia Rohmawati Rifqi Aulia Nurazizah department of Physics Faculty of Mathematics and Natural ScienceUniversitas Negeri Surabaya(Unesa)Surabaya60231Indonesia department of chemistry Faculty of Science and Data AnalyticsInstitut Teknologi Sepuluh Nopember(ITS)Surabaya 60111Indonesia department of chemistry Faculty of Mathematics and Natural SciencesUniversitas Sebelas Maret(UNS)Surakarta57126Indonesia department of Medicine Faculty of Medical and Health ScienceUniversitas Islam Negeri(UIN)Maulana Malik IbrahimMalang65151Indonesia

Curcumin is a natural polyphenol that is used in various traditional ***,its inherent properties,such as its rapid degradation and metabolism,low bioavailability,and short half-life,are serious problems that must be *** this end,a drug carrier incorporating natural magnetic cores in a zeolite framework was developed and applied to the loading of curcumin in ethanol *** this system,curcumin is encapsulated in a zeolite Na(ZNA)magnetic core–shell structure(Fe@Si/ZNA),which can be easily synthesized using an in situ *** of Fe_(3)O_(4) nanoparticles was carried out from natural materials using a co-precipitation *** of the prepared magnetic core–shell structures and composites was carried out using vibrating-sample magnetometery,Fourier transform infrared spectroscopy,transmission electron microscopy,and x-ray *** cumulative loading of curcumin in the ZNA composite with 9%nanoparticles was found to reach 90.70%with a relatively long half-life of 32.49 *** tests of curcumin loading in the composite showed that adding magnetic particles to the zeolite framework also increased the stability of the composite *** kinetics and isotherm studies also found that the system follows the pseudo-second-order and Langmuir isotherm models.

关键词： Zeolite Na Magnetic core–shell nanoparticles(MNPs) ZNA Adsorption Curcumin

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Adsorption of Malachite Green Using Activated Carbon from Mangosteen Peel: Optimization Using Box-Behnken Design

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Journal of Renewable Materials 2024年第5期12卷 981-992页

作者： Nabila Eka Yuningsih Latifa Ariani Suprapto Suprapto Ita Ulfin Harmami Harmami Hendro Juwono Yatim Lailun Ni’mah department of chemistry Faculty of Science and Data AnalyticsInstitute Technology of Sepuluh NopemberSurabaya60111Indonesia

In this research,activated carbon from mangosteen peel has been synthesized using sulfuric acid as an *** adsorption performance of the activated carbon was optimized using malachite green dye as ***-chite green dye waste is a toxic and non-biodegradable material that damages the *** of adsorption processes was carried out using Response Surface Methodology(RSM)with a Box-Behnken Design(BBD).The synthesized activated carbon was characterized using FTIR and SEM *** FTIR spectra conﬁrmed the presence of a sulfonate group(-SO_(3)H)in the activated carbon,indicating that the activation pro-cess using sulfuric acid was *** characterization shows that activated carbon has porous *** was carried out for three adsorption parameters,namely contact time(20,60,and 120 min),adsor-bent mass(0.005,0.025,and 0.05 g),and initial concentration of malachite green solution(5,50,and 100 mg·L^(-1)).The concentration of the malachite green solution was determined using a UV-Vis spectrophotometer at the max-imum wavelength of malachite green,618 *** optimum of malachite green adsorption using mangosteen peel activated carbon was obtained at a contact time of 80 min,an adsorbent mass of 0.032 g,and malachite green initial concentration of 25 mg·L^(-1),with a maximum removal percentage and maximum adsorption capacity of 93.66%and 19.345 mg·g^(-1),respectively.

关键词： Response surface methodology dyes activated carbon experimental design