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Acta Pharmaceutica Sinica B 2022年第10期12卷 3924-3933页

作者： Bo Qin Gregory B.Craven Pengjiao Hou julian Chesti Xinran Lu Emma S.Child Rhodri M.L.Morgan Wenchao Niu Lina Zhao Alan Armstrong david j.mann Sheng Cui NHC Key Laboratory of Systems Biology of Pathogens Institute of Pathogen BiologyChinese Academy of Medical Sciences&Peking Union Medical CollegeBeijing 100076China Department of Life Sciences Imperial College LondonSouth Kensington CampusLondon SW72AZUK Department of Chemistry Imperial College LondonMolecular Sciences Research HubWhite City CampusWood LaneLondon W120BZUK CAS Key Laboratory for Biomedical Effects of Nanomaterials and Nanosafety Institute of High Energy PhysicsUniversity of Chinese Academy of SciencesBeijing 100049China

RNA viruses are critically dependent upon virally encoded proteases to cleave the viral polyproteins into functional *** of these proteases exhibit a similar fold and contain an essential catalytic cysteine,offering the opportunity to inhibit these enzymes with electrophilic small *** we describe the successful application of quantitative irreversible tethering(qIT)to identify acrylamide fragments that target the active site cysteine of the 3C protease(3Cpro)of Enterovirus 71,the causative agent of hand,foot and mouth disease in humans,altering the substrate binding ***,we re-purpose these hits towards the main protease(Mpro)of SARS-CoV-2 which shares the 3C-like fold and a similar active *** hit fragments covalently link to the catalytic cysteine of Mpro to inhibit its *** demonstrate that targeting the active site cysteine of Mpro can have profound allosteric effects,distorting secondary structures to disrupt the active dimeric unit.

关键词： SARS-CoV-2 Protease inhibitors Covalent fragments Allosteric inhibition EV71

In situ characterization of particle formation in spray flame synthesis using wide-angle light scattering

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Particuology 2024年第3期86卷 304-312页

作者： Simon Aβmann Franz j.T.Huber Stefan Will Lehrstuhl für Technische Thermodynamik(LTT) Friedrich-Alexander-Universitat Erlangen-Nürnberg(FAU)Erlangen91058Germany Erlangen Graduate Schoolin Advanced Optical Technologies(SAOT) Friedrich-Alexander-Universitat Erlangen-Nurnberg(FAU)Erlangen91052Germany Competence Unit Engineering of Advanced Materials(EAM) Friedrich-Alexander-Universitat Erlangen-Nürnberg(FAU)Erlangen91052Germany

Wide-angle light scattering(WALS)was used for in situ measurements of droplet and nanoparticle size distributions during the synthesis of titania and iron oxide particles from liquid precursor solutions in the standardized SpraySyn burner for spray flame *** was synthesized from titanium tetraisopropoxide(TTIP)and iron oxide from iron(II)nitrate nonahydrate(INN)using ethanol(EtOH)as *** images were taken at heights up to 120 mm above the burner surface and classified into droplet and particle *** size distributions were derived from a sequential analysis of scattering data containing the oscillating Mie pattern,the lognormal size distribution parameters for spherical and fractal particle fractions from a multivariate approach on averaged particle scattering *** results show that the precursor addition leads to altered evaporation behavior and even droplet disruption probably induced by puffing or micro-explosions compared to pure *** the case of TTIP(a hygroscopic alkoxide),the synthesis of a large fraction of spheres was observed,while the nitrate INN leads to the formation of mostly fractal aggregates.

关键词： Spray flame synthesis Metal oxide particles Elastic light scattering Droplet size distribution Nanoparticle morphology Particle size distribution

Thermal conductivity suppression in uranium-doped thorium dioxide due to phonon-spin interactions

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journal of Materiomics 2024年第3期10卷 709-715页

作者： Zilong Hua Saqeeb Adnan Amey R.Khanolkar Karl Rickert david B.Turner Timothy A.Prusnick j.Matthew mann david H.Hurley Marat Khafizov Cody A.Dennett Materials Science and Engineering Department Idaho National LaboratoryIdaho FallsID83415USA Department of Mechanical and Aerospace Engineering The Ohio State UniversityColumbusOH43210USA KBR DaytonOH45431USA Azimuth Corporation FairbornOH45324USA Air Force Research Laboratory Wright-Patterson AFBOH45433USA Department of Nuclear Science and Engineering Massachusetts Institute of TechnologyCambridgeMA02139USA

In this work,impact of low level of uranium(U)atom substitution on thermal conductivity of thorium dioxide(ThO_(2))is ***_(2)is an electronic insulator with a wide optical band-gap and no unpaired electrons whose thermal transport is governed by phonons.U-substitution introduces unpaired f-electrons resulting in paramagnetic behavior of UeThO_(2)at room temperature,which significantly suppresses its thermal conductivity.A single crystal of UeThO_(2)with graded composition of U is grown using a hydrothermal synthesis method,and thermal conductivity measurements are performed in re-gions with uniform composition of U at levels of 0%,6%,9%and 16%.Measured thermal conductivity profiles over 77e300 K temperature range are analyzed using an analytical expression for phonon-mediated thermal transport based on Klemens-Callaway *** dependent thermal con-ductivity is found to deviate significantly from the Rayleigh scattering trend expected for a simple substitutional point defect with a small perturbation to mass and interatomic *** the resonant scattering term,observed large suppression of thermal conductivity at low temperatures can be closely ***,the extracted phonon-spin coupling constants imply a nonlinear relation of phonon-spin interaction intensity with respect to U doping *** study reveals how phonon-spin scattering contributed by unpaired f-electrons in U atoms influences thermal transport in the UeThO_(2)system.

关键词： Phonon-spin interactions Thermal conductivity UdThO_(2)system

Analysis of ancient mass extinction recoveries in marine environments: generating strategies for managing outcomes of the current mass extinction

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National Science Review 2024年第1期11卷 8-10页

作者： david j.Bottjer Department of Earth Sciences University of Southern California

The defining feature of a mass extinction and its associated recovery is the global amount of extinction that occurred[1]. However, there is finer-scale detail to the story, as seen in the ongoing modern mass extinction(the sixth mass extinction), which exhibits variable effects among marine ecosystems and environments, and hence geographic areas [1].

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Enhancing diabetic retinopathy screening:Non-mydriatic fundus photography-assisted telemedicine for improved clinical management

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World journal of Diabetes 2024年第8期15卷 1820-1823页

作者： Kira j Szulborski david j Ramsey Department of Ophthalmology Tufts University School of MedicineBostonMA 02111United States Lahey Department of Surgery Division of OphthalmologyUMass Chan Medical SchoolUniversity of MassachusettsBurlingtonMA 01805United States Graduate Faculty New England College of OptometryBostonMA 02115United States

The utilization of non-mydriatic fundus photography-assisted telemedicine to screen patients with diabetes mellitus for diabetic retinopathy provides an accurate,efficient,and cost-effective method to improve early detection of *** has also been shown to correlate with increased participation of patients in other aspects of diabetes *** particular,patients who undergo teleretinal imaging are more likely to meet Comprehensive Diabetes Care Healthcare Effectiveness Data and Information Set metrics,which are linked to preservation of quality-adjusted life years and additional downstream healthcare savings.

关键词： Diabetes Diabetic retinopathy Telemedicine Tele-ophthalmology Nonmydriatic fundus photography-assisted telemedicine Vision screening Preventative health services Health policy

Single-atom Pt on carbon nanotubes for selective electrocatalysis

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Carbon Energy 2024年第1期6卷 63-71页

作者： Samuel S.Hardisty Xiaoqian Lin Anthony R.j.Kucernak david Zitoun Department of Chemistry Bar Ilan Institute of Nanotechnology and Advanced Materials(BINA)Bar Ilan UniversityRamat GanIsrael Department of Chemistry Molecular Science Research HubImperial College LondonLondonUK

Utilizing supported single atoms as catalysts presents an opportunity to reduce the usage of critical raw materials such as platinum,which are essential for electrochemical reactions such as hydrogen oxidation reaction(HOR).Herein,we describe the synthesis of a Pt single electrocatalyst inside single-walled carbon nanotubes(SWCNTs)via a redox *** via electron microscopy,X-ray photoelectron microscopy,and X-ray absorption spectroscopy show the single-atom nature of the *** electrochemical behavior of the sample to hydrogen and oxygen was investigated using the advanced floating electrode technique,which minimizes mass transport limitations and gives a thorough insight into the activity of the *** single-atom samples showed higher HOR activity than state-of-the-art 30%Pt/C while almost no oxygen reduction reaction activity in the proton exchange membrane fuel cell operating *** selective activity toward HOR arose as the main fingerprint of the catalyst confinement in the SWCNTs.

关键词： confinement electrocatalysis hydrogen platinum single atom catalysts

Oryza CLIMtools:A genome–environment association resource reveals adaptive roles for heterotrimeric G proteins in the regulation of rice agronomic traits

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Plant Communications 2024年第4期5卷 145-165页

作者： Angel Ferrero-Serrano david Chakravorty Kobie j.Kirven Sarah M.Assmann Biology Department Pennsylvania State University208 Mueller LaboratoryUniversity ParkPA 16802USA Intercollege Graduate Degree Program in Bioinformatics and Genomics Pennsylvania State University208 Mueller LaboratoryUniversity ParkPA 16802USA

Modern crop varieties display a degree of mismatch between their current distributions and the suitability of the local climate for their *** address this issue,we present Oryza CLIMtools(https://***/CLIMtools/oryza_v1.0/),thefirst resource for pan-genome prediction of climate-associated genetic variants in a crop *** CLIMtools consists of interactive web-based databases that enable the user to(1)explore the local environments of traditional rice varieties(landraces)in South-East Asia and(2)investigate the environment by genome associations for 658 Indica and 283 japonica rice landrace accessions collected from georeferenced local environments and included in the 3K Rice Ge-nomes *** demonstrate the value of these resources by identifying an interplay betweenflowering time and temperature in the local environment that is facilitated by adaptive natural variation in OsHD2 and disrupted by a natural variant in *** quantitative trait locus analysis has suggested the impor-tance of heterotrimeric G proteins in the control of agronomic ***,we analyzed the climate associations of natural variants in the different heterotrimeric G protein *** identified a coordi-nated role of G proteins in adaptation to the prevailing potential evapotranspiration gradient and revealed their regulation of key agronomic traits,including plant height and seed and panicle *** conclude by highlighting the prospect of targeting heterotrimeric G proteins to produce climate-resilient crops.

关键词： Oryza sativa rice G by E adaptation flowering time GWAS OsHD2 OsSOC1 heterotrimeric G pro-tein OsRGA1 d1 OsGS3 OsDEP1 OsGGC2

Integrating petrophysical data into efficient iterative cluster analysis for electrofacies identification in clastic reservoirs

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Energy Geoscience 2024年第4期5卷 291-305页

作者： Mohammed A.Abbas Watheq j.Al-Mudhafar Aqsa Anees david A.Wood Basrah Oil Company BasrahIraq Institute of International Rivers and Eco-Security Yunnan UniversityKunming650500China Institute for Ecological Research and Pollution Control of Plateau Lakes School of Ecology and Environmental ScienceYunnan UniversityKunming650500China DWA Energy Limited LincolnUK

Efficient iterative unsupervised machine learning involving probabilistic clustering analysis with the expectation-maximization(EM)clustering algorithm is applied to categorize reservoir facies by exploiting latent and observable well-log variables from a clastic reservoir in the Majnoon oilfield,southern *** observable well-log variables consist of conventional open-hole,well-log data and the computer-processed interpretation of gamma rays,bulk density,neutron porosity,compressional sonic,deep resistivity,shale volume,total porosity,and water saturation,from three wells located in the Nahr Umr *** latent variables include shale volume and water *** EM algorithm efficiently characterizes electrofacies through iterative machine learning to identify the local maximum likelihood estimates(MLE)of the observable and latent variables in the studied *** optimized EM model developed successfully predicts the core-derived facies classification in two of the studied *** EM model clusters the data into three distinctive reservoir electrofacies(F1,F2,and F3).F1 represents a gas-bearing electrofacies with low shale volume(Vsh)and water saturation(Sw)and high porosity and permeability values identifying it as an attractive reservoir *** results of the EM model are validated using nuclear magnetic resonance(NMR)data from the third studied well for which no cores were *** NMR results confirm the effectiveness and accuracy of the EM model in predicting *** utilization of the EM algorithm for electrofacies classification/cluster analysis is ***,the clusters it establishes are less rigidly constrained than those derived from the more commonly used K-means clustering *** EM methodology developed generates dependable electrofacies estimates in the studied reservoir intervals where core samples are not ***,once calibrated with core data in some wells,the model is suitable for

关键词： Cluster analysis Electrofacies classification Expectation-maximization(EM)algorithm Clastic reservoir Maximum likelihood estimate(MLE)

Storylines of family medicine Ⅺ:professional identity formation—nurturing one’s own story

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Family Medicine and Community Health 2024年第S3期12卷 99-108页

作者： William B Ventres Leslie A Stone Hamish j Wilson Sumi M Sexton david j Doukas jessica P Cerdena david M Kelley Michael D Fetters jeffrey j Haney john j Frey III Family and Preventive Medicine University of Arkansas for Medical Sciences College of MedicineLittle RockArkansasUSA General Practice and Rural Health University of Otago Dunedin School of MedicineDunedinNew Zealand Family Medicine Georgetown University School of MedicineWashingtonDistrict of ColumbiaUSA Family and Community Medicine Tulane University School of MedicineNew OrleansLouisianaUSA Family Medicine Residency Program Middlesex HealthMiddletownConnecticutUSA Family Medicine University of Michigan Medical SchoolAnn ArborMichiganUSA Medical Education and Clinical Sciences Washington State UniversitySpokaneWashingtonUSA Family Medicine and Community Health University of Wisconsin-Madison School of Medicine and Public HealthMadisonWisconsinUSA

Storylines of Family Medicine is a 12-part series of thematically linked mini-essays with accompanying illustrations that explore the many dimensions of family medicine,as interpreted by individual family physicians and medical educators in the USA and elsewhere around the ***‘Ⅺ:professional identity formation—nurturing one’s own story’,authors address the following themes:‘The social construction of professional identity’,‘On becoming a family physician’,‘What’s on the test?—professionalism for family physicians’,‘The ugly doc-ling’,‘Teachers—the essence of who we are’,‘Family medicine research—it starts in the clinic’,‘Socially accountability in medical education’,‘Personal philosophy and how to find it’and‘Teaching and learning with Storylines of Family Medicine’.May these essays encourage readers to find their own creative spark in medicine.

关键词： own becoming professional

Influence of Local Cation Order on Electronic Structure and Optical Properties of Cation-Disordered Semiconductor AgBiS_(2)

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Chinese Physics Letters 2024年第10期41卷 61-69页

作者： Xiaoyu Wang Muhammad Faizan Yuhao Fu Kun Zhou Yilin Zhang Xin He david j.Singh Lijun Zhang State Key Laboratory of Superhard Materials College of PhysicsJilin UniversityChangchun 130012China State Key Laboratory of Integrated Optoelectronics Key Laboratory of Automobile Materials of MOECollege of Materials Science and EngineeringJilin UniversityChangchun 130012China Department of Physics and Astronomy University of MissouriColumbiaMissouri 65211-7010USA

Site disorder exists in some practical semiconductors and can significantly impact their intrinsic properties both beneficially and ***,the uncertain local order and structure pose a challenge for experimental and theoretical ***,it hinders the investigation of the effects of the diverse local atomic environments resulting from the site *** employ the special quasi-random structure method to perform first-principles research on connection between local site disorder and electronic/optical properties,using cationdisordered AgBiS_(2)(rock salt phase)as an *** predict that cation-disordered AgBiS_(2)has a bandgap ranging from 0.6 to 0.8 eV without spin-orbit coupling and that spin-orbit coupling reduces this by approximately 0.3 *** observe the effects of local structural features in the disordered lattice,such as the one-dimensional chain-like aggregation of cations that results in formation of doping energy bands near the band edges,formation and broadening of band-tail states,and the disturbance in the local electrostatic potential,which significantly reduces the bandgap and *** influence of these ordered features on the optical properties is confined to alterations in the bandgap and does not markedly affect the joint density of states or optical *** study provides a research roadmap for exploring the electronic structure of site-disordered semiconductor materials,suggests that the ordered chain-like aggregation of cations is an effective way to regulate the bandgap of AgBiS_(2),and provides insight into how variations in local order associated with processing can affect properties.

关键词： stability. structure ordered