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Observation of a single protein by ultrafast X-ray diffraction

Light(Science & Applications) 2024年第1期13卷 80-90页

作者： Tomas ekeberg Dameli Assalauova Johan Bielecki Rebecca Boll Benedikt J.Daurer Lutz A.eichacker Linda e.Franken Davide e.Galli Luca Gelisio Lars Gumprecht Laura H.Gunn Janos Hajdu Robert Hartmann Dirk Hasse Alexandr Ignatenko Jayanath Koliyadu Olena Kulyk Ruslan Kurta Markus Kuster Wolfgang Lugmayr Jannik Lübke Adrian P.Mancuso Tommaso Mazza Carl Nettelblad Yevheniy Ovcharenko daniel e.rivas Max Rose Amit K.Samanta Philipp Schmidt egor Sobolev Nicusor Timneanu Sergey Usenko daniel Westphal Tamme Wollweber Lena Worbs Paul Lourdu Xavier Hazem Yousef Kartik Ayyer Henry N.Chapman Jonas A.Sellberg Carolin Seuring Ivan A.Vartanyants Jochen Küpper Michael Meyer Filipe R.N.C.Maia Laboratory of Molecular Biophysics Department of Cell and Molecular BiologyUppsala UniversityHusargatan 3(Box 596)SE-75124 UppsalaSweden Deutsches electronen-Synchrotron DeSY Notkestrasse 8522607 HamburgGermany european XFeL Holzkoppel 422869 SchenefeldGermany Diamond Light Source Harwell Science&Innovation CampusDidcot OX110DEUK University of Stavanger Centre Organelle ResearchRichard-Johnsensgate 44021 StavangerNorway Leibniz Institute for experimental Virology(HPI) Centre for Structural Systems BiologyNotkestraße 8522607 HamburgGermany Dipartimento di Fisica“Aldo Pontremoli” Universitàdegli Studi di Milanovia Celoria 1620133 MilanoItaly Center for Free-electron Laser Science DESY22607 HamburgGermany Plant Biology Section School of Integrative Plant ScienceCornell UniversityIthacaNY 14853USA PNSensor GmbH Otto-Hahn-Ring 6D-81739 MünchenGermany Biomedical and X-Ray Physics Department of Applied PhysicsAlbaNova University CenterKTH Royal Institute of TechnologySE-10691 StockholmSweden eLI Beamlines/IoP Institute of Physics AS CR v.v.i.Na Slovance 218221 Prague 8Czech Republic Multi-User CryoeM Facility Centre for Structural Systems BiologyNotkestr.8522607 HamburgGermany University Medical Center Hamburg-eppendorf(UKe) Martinistrasse 5220246 HamburgGermany The Hamburg Center for Ultrafast Imaging Universität HamburgLuruper Chaussee 14922761 HamburgGermany Department of Physics Universität HamburgLuruper Chaussee 14922761 HamburgGermany Department of Chemistry and Physics La Trobe Institute for Molecular ScienceLa Trobe UniversityMelbourneVIC 3086Australia Division of Scientific Computing Science for Life LaboratoryDepartment of Information TechnologyUppsala UniversityBox 337SE-75105 UppsalaSweden european Molecular Biology Laboratory c/o DESYNotkestrasse 8522607 HamburgGermany Department of Physics and Astronomy Uppsala UniversityBox 516SE-75120 UppsalaSweden Max Planck Institute for the Structure and Dynamics of Matter Luruper Chaussee 14922761 HamburgGe

The idea of using ultrashort X-ray pulses to obtain images of single proteins frozen in time has fascinated and inspired *** was one of the arguments for building X-ray free-electron *** to theory,the extremely intense pulses provide sufficient signal to dispense with using crystals as an amplifier,and the ultrashort pulse duration permits capturing the diffraction data before the sample inevitably *** was first demonstrated on biological samples a decade ago on the giant *** then,a large collaboration has been pushing the limit of the smallest sample that can be *** ability to capture snapshots on the timescale of atomic vibrations,while keeping the sample at room temperature,may allow probing the entire conformational phase space of *** we show the first observation of an X-ray diffraction pattern from a single protein,that of escherichia coli GroeL which at 14 nm in diameter is the smallest biological sample ever imaged by X-rays,and demonstrate that the concept of diffraction before destruction extends to single *** the pattern,it is possible to determine the approximate orientation of the *** experiment demonstrates the feasibility of ultrafast imaging of single proteins,opening the way to single-molecule time-resolved studies on the femtosecond timescale.

关键词： smallest intense ultrafast

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Realizing Attosecond Core-Level X-ray Spectroscopy for the Investigation of Condensed Matter Systems

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Ultrafast Science 2023年第4期3卷 1-13页

作者： Adam M.Summers Stefano Severino Maurizio Reduzzi Themistoklis P.H.Sidiropoulos daniel e.rivas Nicola Di Palo Hung-Wei Sun Ying-Hao Chien Iker Leon Barbara Buades Seth L.Cousin Stephan M.Teichmann Tobias Mey Klaus Mann Barbara Keitel elke Plonjes Dmitri K.efetov Heinrich Schwoerere Jens Biegert ICFO-Institut de Ciencies Fotoniques The Barcelona Institute of Science and Technology08860 CastelldefelsBarcelonaSpain Linac Coherent Light Source SLAC National Accelerator LaboratoryMenlo ParkCA 94025USA european XFeL Holzkoppel 422869 SchenefeldGermany Institut für Nanophotonik Göttingen e.V. Hans-Adolf-Krebs-Weg 137077 GöttingenGermany Deutsches elektronen-Synchrotron Notkestraße 8522607 HamburgGermany Max-Planck-Institut für Struktur und Dynamik der Materie 22761 HamburgGermany ICReA Pg.Lluís Companys 2308010 BarcelonaSpain

Unraveling the exact nature of nonequilibrium and correlated interactions is paramount for continued progress in many areas of condensed matter science. Such insight is a prerequisite to develop an engineered approach for smart materials with targeted properties designed to address standing needs such as efficient light harvesting, energy storage, or information processing. For this goal, it is critical to unravel the dynamics of the energy conversion processes between carriers in the earliest time scales of the excitation dynamics. We discuss the implementation and benefits of attosecond soft x-ray core-level spectroscopy up to photon energies of 600 eV for measurements in solid-state systems. In particular, we examine how the pairing between coherent spectral coverage and temporal resolution provides a powerful new insight into the quantum dynamic interactions that determine the macroscopic electronic and optical response. We highlight the different building blocks of the methodology and point out the important aspects for its application from condensed matter studies to materials as thin as 25 nm. Furthermore, we discuss the technological developments in the field of tabletop attosecond soft x-ray sources with time-resolved measurements at the near and extended edge simultaneously and investigate the exciting prospective of extending such technique to the study of 2-dimensional materials.

关键词： Attosecond Science Core-level x-ray Spectroscopy High Harmonic Generation X-ray Absorption Ultrafast solid-state dynamics

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Numerical study on the use of soft material walls to enhance seismic performance of an existing tunnel

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Underground Space 2024年第2期15卷 90-112页

作者： Qiangqiang Sun Menghao Hou daniel Dias Institute of Geotechnical engineering College of Civil Engineering and ArchitectureHebei UniversityBaoding 071002China Laboratory 3SR CNRS UMR 5521Grenoble Alpes UniversityGrenoble 38000France

Seismic risk is one of the biggest challenges for tunnel safety,and several mitigation techniques have been proposed to enhance the seismic performance of existing *** paper aims to investigate the effectiveness of an innovative approach for reducing the seismic risk of existing tunnels by using soft material walls(SMW)symmetrically installed in the surrounding *** investigation is performed with a two-dimensional numerical model and the effectiveness of SMW in mitigating the seismic-induced lining forces is quantitatively evaluated by reduction *** influences of nonlinear properties of soil,SMW and tunnel lining on the isolation effectiveness are also *** parametric studies show that the computed reduction ratio is strongly affected by the modulus ratio between the SMW and the soil,the wall geometric parameter,and the flexibility *** is more effective for the thick and soft isolation walls that are inserted near a stiff tunnel in the soft *** tunnel seismic response can be reduced by up to 50%for the scenarios ***,the parametric study identifies an optimum normalized depth of SMW and recommends a relation between the maximum isolation effect and the flexibility ***,simple charts are suggested in this work for estimating the isolation effect in specific conditions of the soil and the *** these lines,the results of this work may be used in the seismic retrofitting of an existing tunnel,aiding the preliminary design of the isolation walls.

关键词： Tunnels earthquakes Seismic analysis Isolation walls Soft material

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Comprehensive review of hepatocellular carcinoma with portal vein tumor thrombus:State of art and future perspectives

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Hepatobiliary & Pancreatic Diseases International 2024年第3期23卷 221-227页

作者： Paschalis Gavriilidis Timothy M Pawlik daniel Azoulay Department of Surgery Colchester General HospitalTurner RoadColchester CO45JLUK Department of Surgery The Ohio State Wexner Medical CenterJames Comprehensive Cancer CenterColumbusOHUSA Department of Hepato-Biliary and Liver Transplantation surgery Paul Brousse University HospitalParis-Saclay UniversityVillejuif 94800France

Background:Despite advances in the diagnosis of patients with hepatocellular carcinoma(HCC),70%-80%of patients are diagnosed with advanced stage *** vein tumor thrombus(PVTT)is among the most ominous signs of advanced stage disease and has been associated with poor survival if *** sources:A systematic search of MeDLINe(PubMed),embase,Cochrane Library and Database for Systematic Reviews(CDSR),Google Scholar,and National Institute for Health and Clinical excellence(NICe)databases until December 2022 was conducted using free text and MeSH terms:hepatocellular carcinoma,portal vein tumor thrombus,portal vein thrombosis,vascular invasion,liver and/or hepatic resection,liver transplantation,and systematic ***:Centers of surgical excellence have reported promising results related to the individualized surgical management of portal thrombus versus arterial chemoembolization or systemic *** elements to the individualized surgical management of HCC and portal thrombus include precise classification of the portal vein tumor thrombus,accurate identification of the subgroups of patients who may benefit from resection,as well as meticulous surgical *** review addressed five specific areas:(a)formation of PVTT;(b)classifications of PVTT;(c)controversies related to clinical guidelines;(d)surgical treatments versus non-surgical approaches;and(e)characterization of surgical techniques correlated with classifications of ***:Current evidence from Chinese and Japanese high-volume centers demonstrated that patients with HCC and associated PVTT can be managed with surgical resection with acceptable results.

关键词： Hepatectomy Liver surgery Liver neoplasms Portal vein tumor thrombus

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Deterministic and probabilistic analysis of great-depth braced excavations:A 32 m excavation case study in Paris

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Journal of Rock Mechanics and Geotechnical engineering 2024年第5期16卷 1505-1521页

作者： Tingting Zhang Julien Baroth daniel Dias Khadija Nejjar Université Grenoble Alpes CNRSGrenoble INP3SRGrenoble38000France Antea Group Antony92160France School of Automotive and Transportation engineering Hefei University of TechnologyHefei23009China Terrasol 42-52 Quai de la RapéeParis75012France

The Fort d’Issy-Vanves-Clamart(FIVC)braced excavation in France is analyzed to provide insights into the geotechnical serviceability assessment of excavations at great depth within deterministic and probabilistic *** FIVC excavation is excavated at 32 m below the ground surface in Parisian sedimentary basin and a plane-strain finite element analysis is implemented to examine the wall deflections and ground surface settlements.A stochastic finite element method based on the polynomial chaos Kriging metamodel(MSFeM)is then proposed for the probabilistic *** with field measurements and former studies are carried *** academic cases are then conducted to investigate the great-depth excavation stability regarding the maximum horizontal wall deflection and maximum ground surface *** results indicate that the proposed MSFeM is effective for probabilistic analyses and can provide useful insights for the excavation design and construction.A sensitivity analysis for seven considered random parameters is then *** soil friction angle at the excavation bottom layer is the most significant one for *** soil-wall interaction effects on the excavation stability are also given.

关键词： Braced deep excavation Soil-wall interaction Stochastic finite element method Horizontal wall deflection Settlement Failure probability

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Transfer of Highest Weight Modules and Small Unipotent Representations

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Acta Mathematica Sinica,english Series 2024年第3期40卷 772-791页

作者： Hai An He Jing Song HUANG Kayue daniel WONG Department of Mathematics College of SciencesShanghai UniversityShanghai 200444P.R.China Newtouch Center for Mathematics of Shanghai University Shanghai 200444P.R.China Mathematics Research Center School of Science and EngineeringThe Chinese University of Hong KongShenzhen 518172P.R.China

We study the transfer between small special unipotent representations for all equal rank real forms of type e_(6) and e_(7). As a consequence, one can verify these modules are unitarity using the results of Wallach an... 详细信息

关键词： Unipotent representations Wallach representations Transfer of unitary modules

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Machine learning based state-of-charge prediction of electrochemical green hydrogen production:Zink-Zwischenschritt-elektrolyseur(ZZe)

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energy and AI 2024年第2期16卷 269-276页

作者： daniel Vila elisabeth Hornberger Christina Toigo STOFF2 GmbH–Gebäude H/Flughafen Tegel 1 13405 BerlinGermany University of Applied Sciences Upper Austria Stelzhamerstraße 23A-4600 WelsAustria Centre for economic Research on Inclusivity and Sustainability at the University of Galway University RoadGalwayIreland

The intermittency of renewable energy is a key limiting factor for the successful decarbonization of both energy producing and consuming sectors. Green hydrogen has the potential to act as the central energy vector connecting hard-to-abate sectors to renewable power. However, combining energy storage and conversion for a holistic electrolyzer system remains challenging. Here, we show the innovative Zink-Zwischenschritt elektrolyseur (ZZe), or Zinc Intermediate step electrolyzer in english, that temporarily decouples the water splitting reaction and uses zinc to store electrical energy in chemical form. To perform optimal operation of a ZZe system, machine learning models were applied to predict the state of charge of a lab scale ZZe system. Using various models, we were able to determine the effectiveness of the prediction and contrast it to state of charge predictions of other energy storage systems. We show that a bi-directional long short-term memory neural network approach has the lowest error within the testing environment. This work serves to perform further ZZe development as well as state of charge prediction for other novel energy storage technologies.

关键词： electrolyzer Battery ZZe energy storage State of charge Machine learning Sequence-to-sequence model

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Accuracy comparison and improvement for state of health estimation of lithium-ion battery based on random partial recharges and feature engineering

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Journal of energy Chemistry 2024年第5期92卷 591-604页

作者： Xingjun Li Dan Yu Søren Byg Vilsen daniel Ioan Stroe Department of energy Aalborg UniversityAalborg 9220Denmark Department of Mathematical Sciences Aalborg UniversityAalborg 9220Denmark Walker Department of Mechanical engineering The University of Texas at AustinAustinTX 78712USA

State of health(SOH)estimation of e-mobilities operated in real and dynamic conditions is essential and *** of existing estimations are based on a fixed constant current charging and discharging aging profiles,which overlooked the fact that the charging and discharging profiles are random and not complete in real *** work investigates the influence of feature engineering on the accuracy of different machine learning(ML)-based SOH estimations acting on different recharging sub-profiles where a realistic battery mission profile is *** features were extracted from the battery partial recharging profiles,considering different factors such as starting voltage values,charge amount,and charging sliding ***,features were selected based on a feature selection pipeline consisting of filtering and supervised ML-based subset *** linear regression(MLR),Gaussian process regression(GPR),and support vector regression(SVR)were applied to estimate SOH,and root mean square error(RMSe)was used to evaluate and compare the estimation *** results showed that the feature selection pipeline can improve SOH estimation accuracy by 55.05%,2.57%,and 2.82%for MLR,GPR and SVR *** was demonstrated that the estimation based on partial charging profiles with lower starting voltage,large charge,and large sliding window size is more likely to achieve higher *** work hopes to give some insights into the supervised ML-based feature engineering acting on random partial recharges on SOH estimation performance and tries to fill the gap of effective SOH estimation between theoretical study and real dynamic application.

关键词： Feature engineering Dynamic forklift aging profile State of health comparison Machine learning Lithium-ion batteries

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Development of Localized Assessment of Municipal Wastewater Disposal Risks

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Journal of Water Resource and Protection 2024年第6期16卷 395-413页

作者： Frederick Bloetscher daniel e. Meeroff Brittanney Adelmann Department of Civil Environmental and Geomatics Engineering Florida Atlantic University Boca Raton USA Department of Mathematics Florida Atlantic University Boca Raton USA

A means to develop a comparative assessment of the risks of available wastewater effluent disposal options on a local scale needs to be developed to help local decision-makers make decisions on options such as direct or indirect potable reuse options. These options have garnered more interest as a result of water supply limitations in many urban areas. This risk assessment was developed from a risk assessment developed at the University of Miami in 2001 and Florida Atlantic University (FAU) in 2023. Direct potable reuse and injection wells were deemed to have the lowest risk in the most recent study by FAU. However, the injection well option may not be available everywhere. As a result, a more local means to assess exposure risk is needed. This paper outlines the process to evaluate the public health risks associated with available disposal alternatives which may be very limited in some areas. The development of exposure pathways can help local decision-makers define the challenges, and support later expert level analysis upon which public health decisions are based.

关键词： Potable Reuse Wastewater effluent Disposal Risk Risk Assessment

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exerkine response to acute exercise:Still much to discover

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Journal of Sport and Health Science 2024年第6期13卷 759-760页

作者： Pedro L.Valenzuela Beatriz rivas-Baeza Carmen Fiuza-Luces Alejandro Lucia Physical Activity and Health Research Group(“PaHerg”) Research Institute of Hospital“12 de Octubre”(“imas12”)Madrid 28041Spain Department of Systems Biology University of AlcalaMadrid 28871Spain Centro de Salud Luis Vives Alcala de HenaresMadrid 28803Spain Faculty of Sport Sciences Universidad Europea de MadridMadrid 28670Spain

Strong evidence supports the benefits of regular physical activity/exercise for the prevention and management of numerous non-communicable diseases.^(1,2)However,despite important advances(particularly the implementation of complex“omics”approaches),the underlying molecular mechanisms remain to be clearly *** the past decade,the role of exerkines—a myriad of signaling moieties(e.g.,mainly cytokines but also other small peptides,peptides,nucleic acids,lipids,or metabolites,among others)released by muscles(myokines)and other tissues in response to exercise that induces endocrine(at the multisystem level),paracrine,or autocrine effects—has gained attention.^(3,4)Indeed it has been proposed that some of the salutary effects of regular exercise(i.e.,repeated sessions of acute exercise)might be due,at least partly,to the progressive accumulation of frequent,acute episodes of exerkine release.^(5)

关键词： gained multisystem prevention

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