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An emerging terpolymeric nanoparticle pore former as an internal recrystallization inhibitor of celecoxib in controlled release amorphous solid dispersion beads:Experimental studies and molecular dynamics analysis

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Acta Pharmaceutica Sinica B 2024年第6期14卷 2669-2684页

作者： Jamie Anne Lugtu-pe Xuning Zhang Sako Mirzaie Hao Han R.Chang Nour AL-Mousawi Kuan Chen Yongqiang li Anil Kane Daniel Bar-Shalom Xiao Yu Wu Advanced Pharmaceutics and Drug Delivery Laboratory Leslie Dan Faculty of PharmacyUniversity of TorontoToronto M5S 3M2Canada Candoo Pharmatech Company Inc. Mississauga L5N 5M1Canada Department of Pharmacy University of CopenhagenCopenhagen DK-2100Denmark Patheon by Thermo Fisher Scientific Toronto Region Operations(TRO)Mississauga L5N 3X4Canada

Solid oral controlled release formulations feature numerous clinical advantages for drug candidates with adequate solubility and dissolution ***,most new chemical entities exhibit poor water solubility,and hence are exempt from such *** combining drug amorphization with controlled release formulation is promising to elevate drug solubility,like other supersaturating systems,the problem of drug recrystallization has yet to be resolved,particularly within the dosage ***,we explored the potential of an emerging,non-leachable terpolymer nanoparticle(TPN)pore former as an internal recrystallization inhibitor within controlled release amorphous solid dispersion(CRASD)beads comprising a poorly soluble drug(celecoxib)reservoir and insoluble polymer(ethylcellulose)*** to conventional pore former,polyvinylpyrrolidone(PVP),TPN-containing membranes exhibited superior structural integrity,less crystal formation at the CRASD bead surface,and greater extent of celecoxib ***-atom molecular dynamics analyses revealed that in the presence of TPN,intra-molecular bonding,crystal formation tendency,diffusion coefficient,and molecular flexibility of celecoxib were reduced,while intermolecular H-bonding was increased as compared to *** work suggests that selection of a pore former that promotes prolonged molecular separation within a nanoporous controlled release membrane structure may serve as an effective strategy to enhance amorphicity preservation inside CRASD.

关键词： Controlled release amorphous solid dispersion Poorly soluble drug Internal recrystallization Membrane-reservoir coated beads Molecular dynamics simulation Effect of pore formers Terpolymer nanogel Drug-polymer interactions

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Semitransparent organic photovoltaics enabled by transparent p-type inorganic semiconductor and near-infrared acceptor

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Journal of Energy Chemistry 2024年第9期96卷 351-358页

作者： Xue Yan Jiayu Wang Wei He Top Archie Dela peña Can Zhu Hailin Yu Yingyue Hu Cenqi Yan Shengqiang Ren Xingyu Chen Zhe Wang Jiaying Wu Mingjie li Jianlong Xia Lei Meng Shirong Lu Dewei Zhao Mikhail Artemyev Yongfang li pei Cheng College of Polymer Science and Engineering State Key Laboratory of Polymer Materials EngineeringSichuan UniversityChengdu 610065SichuanChina Department of Applied Physics The Hong Kong Polytechnic UniversityKowloonHong Kong 999077China Beijing National Laboratory for Molecular Sciences CAS Key Laboratory of Organic SolidsInstitute of ChemistryChinese Academy of SciencesBeijing 100190China College of Materials Science and Engineering&Engineering Research Center of Alternative Energy Materials&Devices Ministry of EducationSichuan UniversityChengdu 610065SichuanChina Department of Material Science and Technology Taizhou UniversityTaizhou 318000ZhejiangChina Advanced Materials Thrust Function HubThe Hong Kong University of Science and Technology(Guangzhou)Guangzhou 511400GuangdongChina State Key Laboratory of Advanced Technology for Materials Science and Processing Center of Smart Materials and DevicesWuhan University of TechnologyWuhan 430070HubeiChina Department of Civil1nd Environmental Engineering The Hong Kong University of Science and TechnologyHong Kong 999077China Research Institute for Physical Chemical Problems Belarusian State UniversityMinsk 220006Belarus

Semitransparent organic photovoltaics(STOPVs)have gained wide attention owing to their promising applications in building-integrated photovoltaics,agrivoltaics,and floating *** semiconductors with high charge carrier mobility usually have planar and conjugated structures,thereby showing strong absorption in visible *** this work,a new concept of incorporating transparent inorganic semiconductors is proposed for high-performance ***(I)thiocyanate(CuSCN)is a visible-transparent inorganic semiconductor with an ionization potential of 5.45 eV and high hole *** transparency of CuSCN benefits high average visible transmittance(AVT)of *** energy levels of CuSCN as donor match those of near-infrared small molecule acceptor BTP-eC9,and the formed heterojunction exhibits an ability of exciton *** mobility of CuSCN contributes to a more favorable charge transport channel and suppresses charge *** control STOPVs based on PM6/BTP-eC9 exhibit an AVT of 19.0%with a power conversion efficiency(PCE)of 12.7%.Partial replacement of PM6 with CuSCN leads to a 63%increase in transmittance,resulting in a higher AVT of 30.9%and a comparable PCE of 10.8%.

关键词： Copper(I)thiocyanate Inorganic semiconductor Semitransparent Organic photovoltaics Charge dissociation

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Step‑by‑Step Modulation of Crystalline Features and Exciton Kinetics for 19.2%Efficiency Ortho‑Xylene Processed Organic Solar Cells

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Nano-Micro Letters 2024年第2期16卷 258-272页

作者： Bosen Zou Weiwei Wu Top Archie Dela pena Ruijie Ma Yongmin Luo Yulong Hai Xiyun Xie Mingjie li Zhenghui Luo Jiaying Wu Chuluo Yang gang li He Yan Department of Chemistry Department of Chemistry and Hong Kong Branch of Chinese National Engineering Research Center for Tissue Restoration and Reconstruction The Hong Kong University of Science and TechnologyClear Water BayHong KongPeople’s Republic of China Department of Electronic and Information Engineering Research Institute for Smart Energy(RISE)Guangdong‑Hong Kong‑Macao(GHM)Joint Laboratory for Photonic‑Thermal‑Electrical Energy Materials and DevicesThe Hong Kong Polytechnic UniversityHung HomKowloonHong Kong 999077People’s Republic of China The Hong Kong University of Science and Technology Function HubAdvanced Materials ThrustNanshaGuangzhou 511400People’s Republic of China Department of Applied Physics The Hong Kong Polytechnic UniversityHong KongPeople’s Republic of China Shenzhen Key Laboratory of New Information Display and Storage Materials College of Materials Science and EngineeringShenzhen UniversityShenzhen 518060People’s Republic of China

With plenty of popular and effective ternary organic solar cells(OSCs)construction strategies proposed and applied,its power conversion efficiencies(PCEs)have come to a new level of over 19%in single-junction ***,previous studies are heavily based in chloroform(CF)leaving behind substantial knowledge deficiencies in understanding the influence of solvent choice when introducing a third ***,we present a case where a newly designed asymmetric small molecular acceptor using fluoro-methoxylated end-group modification strategy,named BTP-BO-3FO with enlarged bandgap,brings different morphological evolution and performance improvement effect on host system PM6:BTP-eC9,processed by CF and ortho-xylene(o-XY).With detailed analyses supported by a series of experiments,the best PCE of 19.24%for green solvent-processed OSCs is found to be a fruit of finely tuned crystalline ordering and general aggregation motif,which furthermore nourishes a favorable charge generation and recombination ***,over 19%PCE can be achieved by replacing spin-coating with blade coating for active layer *** work focuses on understanding the commonly met yet frequently ignored issues when building ternary blends to demonstrate cutting-edge device performance,hence,will be instructive to other ternary OSC works in the future.

关键词： Organic solar cells Ternary design Solvent selection Flouro-methoxylated end group Morphological ordering

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Cretaceous crown male ant reveals the rise of modern lineages

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Zoological Research 2024年第5期45卷 983-989页

作者： Qiong Wu Alexander g.Radchenko Michael S.Engel Xiao-Qin li Hong-Ru Yang Xing-Ru li Chung-Kun Shih Dong Ren Tai-Ping gao College of life Sciences Capital Normal UniversityBeijing 100048China I.I.Schmalhausen Institute of Zoology NAS of UkraineKiev 01054Ukraine Division of Invertebrate Zoology American Museum of Natural HistoryNew York 10024-5192USA Facultad de Ciencias Biológicas Universidad Nacional Mayor de San MarcosLima 11-0058Perú Departamento de Entomología Museo de Historia NaturalUniversidad Nacional Mayor de San MarcosLima 15072Perú Department of Chemistry Analytical and Testing CenterCapital Normal UniversityBeijing 100048China Department of Paleobiology National Museum of Natural HistorySmithsonian InstitutionWashington DC 20013-7012USA

Most described Mesozoic ants belong to stem groups that existed only during the Cretaceous ***,the earliest known crown ants were dated to the Turonian(Late Cretaceous,ca.94-90 million years ago(Ma))deposits found in the USA,Kazakhstan,and ***,the recent discovery of an alate male ant in Kachin amber from the earliest Cenomanian(ca.99 Ma),representing a new genus and species,Antiquiformica alata,revises the narrative on ant *** can be distinctly differentiated from all known male stem ants by its geniculate antennae with elongated scape,extending far beyond the occipital margin of the head and half the length of the funiculus,as well as its partly reduced forewing ***,the combination of a one-segmented waist with a well-developed node,elongated scape extending beyond the occipital margin,and reduced forewing venation,particularly the completely reduced m-cu and rs-m crossveins and absence of rm and mcu closed cells,firmly places the fossil within the extant subfamily *** transform infrared spectroscopy(FTIR)confirmed that the amber containing Antiquiformica alata originated from the Kachin mines in *** discovery significantly revises our understanding of the early evolution of *** presence of Antiquiformica in Cenomanian amber indicates that the subfamily Formicinae emerged at least by the start of the Late Cretaceous,with crown ants likely originating earlier during the earliest Cretaceous or possibly the Late Jurassic,although paleontological evidence is lacking to support the latter hypothesis.

关键词： Formicidae Formicinae Morphology Taxonomy Antiquiformica alata Paleontology Kachin amber

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The component-activity interrelationship of cobalt-based bifunctional electrocatalysts for overall water splitting:Strategies and performance

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Journal of Energy Chemistry 2024年第4期91卷 453-474页

作者： Mingjie Sun Riyue ge Sean li liming Dai Yiran li Bin liu Wenxian li School of Materials Science and Engineering Shanghai UniversityShanghai 200444China Institute of Textiles and Clothing The Hong Kong Polytechnic UniversityHong Kong SAR 999077China School of Materials Science and Engineering University of New South WalesSydneyNew South Wales 2052Australia UNSW Materials&Manufacturing Futures Institute UNSW SydneyNew South Wales 2052Australia School of Chemical Engineering University of New South WalesSydneyNew South Wales 2052Australia

Cobalt-based electrocatalysts take advantage of potentially harmonizable microstructure and flexible coupling effects compared to commercial noble metal-based catalytic ***,conventional water electrolysis systems based on cobalt-based monofunctional hydrogen evolution reaction(HER)or oxygen evolution reaction(OER)catalysts have certain shortcomings in terms of resource utilization and *** contrast,cobalt-based bifunctional catalysts(CBCs)have attracted much attention in recent years for overall water splitting systems because of their practicality and reduced preparation cost of *** review aims to address the latest development in CBCs for total *** main modification strategies of CBCs are systematically classified in water electrolysis to provide an overview of how to regulate their morphology and electronic ***,the catalytic performance of CBCs in total-hydrolysis is summarized according to the types of cobalt-based phosphides,sulfides and oxides,and the mechanism of strengthened electrocatalytic ability is emphasized through combining experiments and theoretical *** efforts are finally suggested to focus on exploring the dynamic conversion of reaction intermediates and building near-industrial CBCs,designing advanced CBC materials through micro-modulation,and addressing commercial applications.

关键词： Cobalt Bifunctional electrocatalysis Water splitting Modification strategies Electrocatalytic performances

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Experimental investigation of engineered geopolymer composite for structural strengthening against blast loads

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Defence Technology（防务技术） 2024年第2期32卷 496-509页

作者： Shan liu Chunyuan liu Yifei Hao Yi Zhang li Chen Zhan li Key Laboratory of Coast Civil Structure Safety of Ministry of Education Tianjin UniversityTianjin 300072China Tianjin Key Laboratory of Prefabricated Buildings and Intelligent Construction Hebei University of TechnologyTianjin 300400China Institute of Defense Engineering AMSPLABeijing 100850China Engineering Research Center of Safety and Protection of Explosion&Impact of Ministry of Education Southeast UniversityNanjing 211189JiangsuChina State Key Laboratory of Disaster Prevention&Mitigation of Explosion&Impact Army Engineering University of the PLANanjing 210007JiangsuChina

The recent increase in blast/bombing incidents all over the world has pushed the development of effective strengthening approaches to enhance the blast resistance of existing civil *** geopolymer composite(EgC)is a promising material featured by eco-friendly,fast-setting and strain-hardening characteristics for emergent strengthening and ***,the fiber optimization for preparing EgC and its protective effect on structural elements under blast scenarios are *** this study,laboratory tests were firstly conducted to evaluate the effects of fiber types on the properties of EgC in terms of workability,dry shrinkage,and mechanical properties in compression,tension and *** experimental results showed that EgC containing pe fiber exhibited suitable workability,acceptable dry shrinkage and superior mechanical properties compared with other types of *** that,a series of field tests were carried out to evaluate the effectiveness of EgC retrofitting layer on the enhancement of blast performance of typical *** tests include autoclaved aerated concrete(AAC)masonry walls subjected to vented gas explosion,reinforced AAC panels subjected to TNT explosion and plain concrete slabs subjected to contact *** was found that EgC could effectively enhance the blast resistance of structural elements in different *** AAC masonry walls and panels,with the existence of EgC,the integrity of specimens could be maintained,and their deflections and damage were significantly *** plain concrete slabs,the EgC overlay could reduce the diameter and depth of the crater and spallation of specimens.

关键词： Engineered geopolymer composites Fiber optimization Strengthening material Blast resistance Masonry wall Reinforced AAC panel Plain concrete slab

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Access to High-Molecular-Weight Polyethylenes through High Temperature Ethylene Polymerization Catalysed by Ethylene-Bridged ansa-(3-R-Cyclopentadienyl)(Fluorenyl) Zirconocene Complexes

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Chinese Journal of Polymer Science 2024年第1期42卷 42-51,I0007页

作者： Bo li Haiyan Ma Jiling Huang Shanghai Key Laboratory of Functional Materials Chemistry and Laboratory of Organometallic Chemistry School of Chemistry and Molecular EngineeringEast China University of Science and TechnologyShanghai 200237China

A series of C1-symmetric ethylene-bridged ansa-(3-R-cyclopentadienyl)(fluorenyl) metallocene complexes(Zr: 1-5;Hf: 6) have been synthesized, characterized and investigated as catalyst precursors for the high temperature ethylene polymerization. Using methylaluminoxane(MAO) as the cocatalyst, zirconium complexes 1-5 bearing a bulky substituent on the 3-position of the cyclopendienyl ring showed high catalytic activities up to 1.48×10^(7) g pe·mol_(Zr)^(-1)·h^(-1) toward the polymerization of ethylene and afforded polyethylenes with high molecular weights(1.49×10^(5)-6.31×10^(5) g/mol), meanwhile exhibting great thermal stability at high temperatures up to 120 ℃ together with a long catalytic life time up to 2 h. By adopting low Al/Zr ratios, such as 125, polyethylenes with ultra high molecular weights up to 2.86×106 g/mol were obtained. It is worthy of noting that zirconium complexes 1-4 bearing a substituent with an aryl pendant showed temperature-dependent activities, which increased rapidly with the increase of polymerization temperature, thus weak interaction of the pendent aryl group with the cationic active center is proposed to account for the very low activities displayed at low temperatures. In contrast to zirconocene complexes 1-5, hafnocene complex 6 only displayed very low catalytic activities toward the polymerization of ethylene and afforded polyethylenes with molecular weights ten times smaller than those obtained by zirconocene complexes 1-5. Zirconocene complexes 1-5 were also able to catalyse the polymerization of propylene at high temperatures, but only afforded waxes with low molecular weights.

关键词： ansa-Metallocene Ethylene Propylene Polymerization High temperature

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Combinatorial optimization of perovskite-based ferroelectric ceramics for energy storage applications

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Journal of Advanced Ceramics 2024年第7期13卷 877-910页

作者： Suwei Dai Mengyang li Xiaowen Wu Yunyi Wu Xiang li Yanan Hao Bingcheng Luo Engineering Research Center of Ministry of Education for geological Carbon Storage and Low Carbon Utilization of Resources Beijing Key Laboratory of Materials Utilization of Nonmetallic Minerals and Solid WastesNational Laboratory of Mineral MaterialsSchool of Materials Science and TechnologyChina University of Geosciences BeijingBeijing 100083China College of Science China Agricultural UniversityBeijing 100083China Research Center for Comprehensive Energy Technology CTG Science and Technology Research InstituteBeijing 100038China School of Energy and Power Engineering Beihang UniversityBeijing 100191China State Key Laboratory of Information Photonics and Optical Communications&School of Science Beijing University of Posts and TelecommunicationsBeijing 100876China

With the increasing impacts of climate change and resource depletion,dielectric capacitors,with their exceptional stability,fast charging and discharging rates,and ability to operate under more extreme conditions,are emerging as promising high-demand candidates for high-performance energy storage devices,distinguishing them from traditional electrochemical capacitors and ***,due to the shortcomings of various dielectric ceramics(e.g.,paraelectrics(pes),ferroelectrics(FEs),and antiferroelectrics(AFEs)),their low polarizability,low breakdown strength(BDS),and large hysteresis loss limit their standalone use in the advancement of energy storage ***,synthesizing novel perovskite-based materials that exhibit high energy density,high energy efficiency,and low loss is crucial for achieving superior energy storage *** this review,we outline the recent development of perovskitebased ferroelectric energy storage ceramics from the perspective of combinatorial optimization for tailoring ferroelectric hysteresis loops and comprehensively discuss the properties arising from the different combinations of *** also provide future guidelines in this ***,the combinatorial optimization strategy in this review will open up a practical route toward the application of new high-performance ferroelectric energy storage devices.

关键词： perovskite hysteresis loop relaxor ferroelectric(RFE) paraelectric(pe) antiferroelectric(AFE) energy storage

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Neural and Behavioral Measures of Stress-induced Impairment in Error Awareness and Post-error Adjustment

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Neuroscience Bulletin 2024年第7期40卷 937-951页

作者： Na Hu Quanshan Long Xiaoxi Wang Quan li Qing li Antao Chen School of Preschool and Special Education Kunming UniversityKunming 650214China Faculty of Education Yunnan Normal UniversityKunming 650214China College of Teacher Education Qujing Normal UniversityQujing 655099China Key Laboratory of Cognition and personality of Ministry of Education Faculty of PsychologySouthwest UniversityChongqing 400715China School of Psychology Shanghai University of SportShanghai 200438China

Exposure to stress negatively affects error processing,but the impact of stress on error awareness remains to be *** the present study,we examined the temporal dynamics of error awareness and post-error adjustment following acute ***-nine healthy men were randomly assigned to the control(n=26)or stress group(n=23).After stress induction,participants completed the error awareness task,and their brain activity was assessed by *** to the control group,the stress group demonstrated lower error awareness accuracy and smaller pe(error positivity)andΔpe amplitudes following aware error responses,which indicated impairment of error awareness following ***,the stress group had lower accuracy in post-aware error responses than in post-unaware error responses and the control group,which indicated poor post-error adjustment following *** results showed a stress effect on sequential stages of error *** induces impaired error identification,which further generates maladaptive post-error performance.

关键词： Acute stress Error awareness Post-error adjustment Error positivity

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Non-perturbative dynamics of flat-band systems with correlated disorder

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Chinese Physics B 2024年第9期33卷 547-551页

作者： Qi li Junfeng liu Ke liu Zi-Xiang Hu Zhou li gBA Branch of Aerospace Information Research Institute Chinese Academy of SciencesGuangzhou 510535China guangdong Provincial Key Laboratory of Terahertz Quantum Electromagnetics Guangzhou 510700China School of Physics and Materials Science Guangzhou UniversityGuangzhou 510006China Department of Physics and Chongqing Key Laboratory for Strongly Coupled Physics Chongqing UniversityChongqing 401331China University of Chinese Academy of Sciences Beijing 100039China

We develop a numerical method for the time evolution of gaussian wave packets on flat-band lattices in the presence of correlated *** achieve this,we introduce a method to generate random on-site energies with prescribed *** verify this method with a one-dimensional(1D)cross-stitch model,and find good agreement with analytical results obtained from the disorder-dressed evolution *** allows us to reproduce previous findings,that disorder can mobilize 1D flat-band states which would otherwise remain *** explained by the corresponding disorder-dressed evolution equations,such mobilization requires an asymmetric disorder-induced coupling to dispersive bands,a condition that is generically not fulfilled when the flat-band is resonant with the dispersive bands at a Dirac point-like *** exemplify this with the 1D lieb *** analytical expressions are not available for the two-dimensional(2D)system due to its complexity,we extend the numerical method to the 2D a–T3 model,and find that the initial flat-band wave packet preserves its localization when a=0,regardless of disorder and ***,when a̸=0,the wave packet shifts in real *** interpret this as a Berry phase controlled,disorder-induced wave-packet *** addition,we present density functional theory calculations of candidate materials,specifically Hg1−*** flat-band emerges near the g point(α=0)in the Brillouin zone.

关键词： flat-band system dynamics correlated disorder

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