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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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Re: Amparore D, Pecoraro A, Piramide F, Verri P, Checcucci E, De Cillis S, et al. Three-dimensional imaging reconstruction of the kidney's anatomy for a tailored minimally invasive partial nephrectomy: A pilot study. Asian J Urol 2022;9:263-71.: A further step towards personalized surgery through virtual clip application

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Asian Journal of Urology 2023年第1期10卷 113-114页

作者： Philippe C.Grange paul T.Morris Heather l.Benz William A.Buggele Raymond S.Fryrear Johnson&Johnson MedTech NorderstedtSchleswig-HolsteinGermany Johnson&Johnson MedTech Santa ClaraCAUSA Johnson&Johnson MedTech CincinnatiOHUSA

Dear Editor,We have read with great interest the outstanding article authored by Amparore et al.[1].We commend the authors for their large interventional study of 222 patients observing a favorable impact on clinical outcomes after implementation of three-dimensional(3D)modeling for laparoscopic partial nephrectomy robotically assisted or not,compared to a historical group of *** authors presented convincing results and humbly acknowledge limitations of the study,notably its *** results extend growing awareness in urology that 3D modeling can enhance surgeons’case planning[2].

关键词： anatomy dimensional

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Thermodynamic Dual Descriptor

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物理化学学报 2018年第6期34卷 683-691页

作者： FRANCO-PéREZ Marco GáZQUEZ José l. AYERS paul W. VElA Alberto Departamento de Quimica Universidad Aut6noma Metropolitana-Iztapalapa Av. San Rafael Atlixco 186 Ciudad de Mexico 09340 Mexico. Department of Chemistry McMaster University Hamilton Ontario L8S 4M1 Canada. Departamento de Quimica Centro

A new definition of the dual descriptor,namely,thethermodynamic dual descriptor,is developed within the grand canonicalpotential *** new definition is formulated to describe the same △f_r(r)=β/2C[f^+(r)-f^-(r)](C>0) physical phenomenon as the original definition proposed by Morell,Grand,and Toro-labbé(***.A2005,109,205),which is characterized by a second-order response of the electron density towards an electron *** formulate the new definition,we performed two successive partial derivatives of the average electron density,one with respect to the average number of electrons,and the other with respect to the chemical potential of the electron *** the derivative is expressed in terms of the three-state ensemble model,in the regime of low temperatures up to temperatures of chemical interest,one finds that the thermodynamic dual descriptor can be expressed as?f_T(r)=(β/2)C[f^+(r)-f^-(r)],whereβ=1/k_BT,Cis a global quantity that depends on the temperature and global electronic properties of the molecule(the first ionization potential and the electron affinity),C=1 for systems with zero fractional charge,and C=C_ω>0(albeit very close to zero)for systems with nonzero fractional charge,,and f^+(r)and f^-(r)are the nucleophilic and electrophilic Fukui functions,*** quantity within the square brackets is the original definition of the dual *** the local terms(the ones containing regioselectivity information)are equal to those of the dual descriptor,?f_T(r)has the same regioselectivity information,multiplied by the global quantity(β/2)*** implies that the regioselectivity information contained in the original dual descriptor is preserved at all temperatures different from zero,and for any value of C>*** of the most important features of this new definition is that it avoidsthe undesired Dirac delta behavior observed when the second order partial derivative of the average density is taken with respect to the average

关键词： Dual descriptor Chemical stability Finite temperature chemical reactivity theory Fractional average number of electrons Amphiphilicity

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Soil quality estimation using environmental covariates and predictive models:an example from tropical soils of Nigeria

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Ecological Processes 2022年第1期11卷 946-967页

作者： Isong Abraham Isong Kingsley John paul Bassey Okon Peter Ikor Ogban Sunday Marcus Afu Department of Soil Science Faculty of AgricultureUniversity of CalabarCalabar PMB 1115Nigeria Department of Soil Science and Soil Protection Faculty of AgrobiologyFoodand Natural ResourcesCzech University of Life SciencesKamýcká12916500 PragueCzech Republic

Background:Information addressing soil quality in developing countries often depends on results from small experimental plots,which are later extrapolated to vast areas of agricultural *** approach often results in misin-formation to end-users of land for sustainable soil nutrient *** objective of this study was to estimate the spatial variability of soil quality index(SQI)at regional scale with predictive models using soil–environmental ***:A total of 110 composite soil samples(0–30 cm depth)were collected by stratified random sampling schemes at 2–5 km intervals across the Cross River State,Nigeria,and selected soil physical and chemical properties were *** employed environmental covariates derived from a digital elevation model(DEM)and Senti-nel-2 imageries for our modelling *** measured soil quality using two approaches[total data set(TDS)and minimum data set(MDS)].Two scoring functions were also applied,linear(l)and non-linear(Nl),yielding four indices(MDS_l,MDS_Nl,TDS_l,and TDS_Nl).Eleven soil quality indicators were used as TDS and were further screened for MDS using principal component analysis(PCA).Random forest(RF),support vector regression(SVR),regression kriging(RK),Cubist regression,and geographically weighted regression(GWR)were applied to predict SQI in unsampled ***:The computed SQI via MDS_l was classified into five classes:≤0.38,0.38–0.48,0.48–0.58,0.58–0.68,and≥0.68,representing very low(classⅤ),low(classⅣ),moderate(classⅢ),high(classⅡ)and very high(classⅠ)soil quality,*** model was robust in predicting soil quality(R^(2)=0.21,CCC=0.39,RMSE=0.15),while RF was a model with inferior performance(R^(2)=0.02,CCC=0.32,RMSE=0.15).Soil quality was high in the southern region and low in the northern *** soil quality class(>49%)and moderate soil quality class(>14%)dominate the study area in all predicted models ***:Structural stability index,sand content,soil oga

关键词： Decision support system Geospatial technology Predictive model Remote sensing Soil quality

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Pazopanib in advanced soft tissue sarcomas

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Signal Transduction and Targeted Therapy 2019年第1期4卷 538-547页

作者： Alex T.J.lee Robin l.Jones paul H.Huang Division of Molecular Pathology The Institute of Cancer ResearchLondonUK Sarcoma Unit The Royal Marsden NHS Foundation TrustLondonUK Division of Clinical Studies Institute of Cancer ResearchLondonUK

Pazopanib is the first and only tyrosine kinase inhibitor currently approved for the treatment of multiple histological subtypes of soft tissue sarcoma(STS).Initially developed as a small molecule inhibitor of vascular endothelial growth factor receptors,preclinical work indicates that pazopanib exerts an anticancer effect through the inhibition of both angiogenic and oncogenic signaling *** the establishment of optimal dosing and safety profiles in early phase studies and approval for the treatment of advanced renal cell carcinoma,pazopanib was investigated in STS.A landmark phase III randomized study demonstrated improved progression-free survival with pazopanib compared to that with placebo in pretreated patients with STS of various *** efficacy of pazopanib in specific STS subtypes has been further described in real-world-based case series in both mixed and subtype-specific STS *** present,there are no clinically validated predictive biomarkers for use in selecting patients with advanced STS for pazopanib therapy,limiting the clinical effectiveness and cost-effectiveness of the *** this review,we summarize the preclinical and clinical data for pazopanib,outline the evidence base for its effect in STS and explore reported studies that have investigated putative biomarkers.

关键词： sarcoma clinical approval

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Geochemistry and zircon SHRIMP U-Pb dating of granitoids from the west segment of the North Qaidam

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Science China Earth Sciences 2009年第11期52卷 1771-1790页

作者： Joseph l.WOODEN paul T.ROBINSON Frank K.MAZDAB Chris MATTINSON Department of Earth and Environmental Sciences Stanford University Department of Earth Sciences Dalhousie University

Granitoid intrusives such as Saishitenshan, Tuanyushan, Aolaohe and Sanchagou occur widely in the western segment of North Qaidam. All these bodies trend NW, roughly parallel to the regional structure. Zircon SHRIMP dating for these granites show that they range in age from Ordovician to Permian; 465.4±3.5 Ma for Saishitenshan, 469.7±4.6 Ma and 443.5±3.6 Ma for Tuanyushan, 372.1±2.6 Ma for Aolaohe, and 271.2±1.5 Ma and 259.9±1.2 Ma for Sanchagou. Both the Tuanyshan and Aolaohe plutons record two distinct intrusive events. Geochemically, the early Paleozoic granites have an island arc or active continental margin affinity, and their protolith may have been Mesoproterozoic oceanic crust derived from depleted mantle. The protolith of the late Paleozoic granites may have been Mesoproterozoic lower crust from the root of an island arc with the magmas reflecting a mixture of mantle and crustal material.

关键词： granitoid zircon SHRIMP U-Pb dating North Qaidam

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Paleo-glacial reconstruction of the Thajwas glacier in the Kashmir Himalaya using 10Be cosmogenic radionuclide dating

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Geoscience Frontiers 2022年第6期13卷 30-40页

作者： Omar Jaan paul Shakil Ahmad Romshoo Reyaz Ahmad Dar Pankaj Kumar Soumya Prakash Dhal Sundeep Chopra Department of Earth Sciences University of KashmirSrinagarIndia Islamic University of Science and Technology(IUST) KashmirIndia Inter-University Accelerator Centre(IUAC) New DelhiIndia Department of Geoinformatics University of KashmirSrinagarIndia

Quantitative glacial chronologies of past glaciations are sparse in the Himalaya, and mostly absent in the Kashmir Himalaya. We used cosmogenicBe exposure dating, and geomorphological mapping to reconstruct glacial advances of the Thajwas Glacier(TG) in the Great Himalayan Range of the Kashmir Himalaya. FromBe exposure dating of ten moraine boulders, four glacial stages with ages ~20.77 ±2.28 ka, ~11.46 ± 1.69 ka, ~9.12 ± 1.39 ka and ~4.19 ± 0.78 ka, were identified. The reconstructed cosmogenic radionuclide ages confirmed the global last Glacial Maximum(g lGM), Younger Dryas, Early Holocene, and Neoglaciation episodes. As per area and volume change analyses, the TG has lost 51.1 km~2 of its area and a volume of 2.64 km~3 during the last 20.77 ± 2.28 ka. Overall, the results suggested that the TG has lost 64% of area and 73% of volume from the last glacial maximum to Neoglaciation and about 85.74% and 87.67% of area and volume, respectively, from Neoglaciation to the present day. The equilibrium line altitude of the TG fluctuated from 4238 m a.s.l present to3365 m a.s.l during the g lGM(20.77 ± 2.28 ka). The significant cooling induced by a drop in mean ambient temperature resulted in a positive mass balance of the TG during the g lGM. Subsequently the melting accelerated due to the continuing rise of the global ambient temperature. Paleo-glacial history reconstruction of the Kashmir Himalaya, with its specific geomorphic and climatic setting, would help close the information gap about the chronology of past regional glacial episodes.

关键词： Glacier reconstruction Cosmogenic 10Be glGM Kashmir Himalaya Equilibrium line Altitude

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Basic science and clinical use of eccentric contractions:History and uncertainties

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Journal of Sport and Health Science 2018年第3期7卷 265-274页

作者： Kiisa C.Nishikawa Stan l.lindstedt paul C.laStayo Center for Bioengineering Innovation and Department of Biological Sciences Northern Arizona University Department of Physical Therapy and Athletic Training University of Utah

The peculiar attributes of muscles that are stretched when active have been noted for nearly a ***,the focus of muscle physiology has been primarily on shortening and isometric contractions,as eloquently revealed by *** and subsequently by his *** the sliding filament theory was introduced by *** and ***,it was a relatively simple task to link Hill's mechanical observations to the actions of the cross bridges during these shortening and isometric *** contrast,lengthening or eccentric contractions have remained somewhat *** as necessarily causing muscle damage,eccentric contractions have been much more difficult to fit into the cross-bridge *** relatively recent discovery of the giant elastic sarcomeric filament titin has thrust a previously missing element into any discussion of muscle function,in particular during active ***,the unexpected contribution of giant elastic proteins to muscle contractile function is highlighted by recent discoveries that twitchin-actin interactions are responsible for the"catch"property of invertebrate *** this review,we examine several current theories that have been proposed to account for the properties of muscle during eccentric *** ask how well each of these explains existing data and how an elastic filament can be incorporated into the sliding filament ***,we review the increasing body of evidence for the benefits of including eccentric contractions into a program of muscle rehabilitation and strengthening.

关键词： Exercise Force enhancement Muscle mechanics Rehabilitation Titin/connectin

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Genetic architecture of quantitative trait loci(QTl)for FHB resistance and agronomic traits in a hard winter wheat population

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The Crop Journal 2023年第6期11卷 1836-1845页

作者： Yuzhou Xu Yaoguang li Ruolin Bian Guorong Zhang Allan K.Fritz Yanhong Dong lanfei Zhao Yunfeng Xu Nida Ghori Amy Bernardo paul StAmand Jessica l.Shoup Rupp Myron Bruce Wei Wang Eduard Akhunov Brett Carver Guihua Bai Department of Agronomy Kansas State UniversityManhattanKS 66506USA Department of Plant Pathology University of MinnesotaSt.PaulMN 55108USA Hard Winter Wheat Genetics Research Unit USDAManhattanKS 66506USA Department of Plant Pathology Kansas State UniversityManhattanKS 66506USA Department of Plant and Soil Sciences Oklahoma State UniversityStillwaterOK 74078USA

Wheat resistance to Fusarium head blight(FHB)has often been associated with some undesirable agronomic *** study the relationship between wheat FHB resistance and agronomic traits,we constructed a linkage map of single nucleotide polymorphisms(SNPs)using an F6:8 population from G97252W*** two hard winter wheat parents showed contrasts in FHB resistance,plant height(HT),heading date(HD),spike length(Sl),spike compactness(SC),kernel number per spike(KNS),spikelet number per spike(SNS),thousand-grain weight(TGW)and grain size(length and width).Quantitative trait locus(QTl)mapping identified one major QTl(***-2DS)on chromosome arm 2DS for the percentage of symptomatic spikelets(PSS)in the spike,deoxynivalenol(DON)content and Fusarium damaged kernel(FDK).This QTl explained up to 71.8%of the phenotypic variation for the three FHB-related traits and overlapped with the major QTl for HT,HD,Sl,KNS,SNS,TGW,and grain *** on chromosome arms 2Al,2DS,3Al and 4BS were significant for the spike and grain traits measured.G97252W contributed FHB resistance and high SNS alleles at ***-2DS,high KNS alleles at the QTl on 2Al and 2DS,and high TGW and grain size alleles at QTl on 3Al;whereas G97380A contributed high TGW and grain size alleles at the QTl on 2Al and 2DS,respectively,and the high KNS allele at the 4BS *** ***-2DS with positive alleles for spike and grain traits from other chromosomes may simultaneously improve FHB resistance and grain yield in new cultivars.

关键词： Wheat Fusarium head blight FHB resistance Developmental and yield traits Pleiotropic QTl

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Promoting recovery from severe mental illness: Implications from research on metacognition and metacognitive reflection and insight therapy

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World Journal of Psychiatry 2018年第1期8卷 1-11页

作者： paul Henry lysaker Jay A Hamm Ilanit Hasson-Ohayon Michelle l Pattison Bethany l leonhardt Department of Psychiatry Roudebush VA Med Ctr and the Indiana University School of Medicine Department of Psychiatry Indiana University School of Medicine Department of Psychiatry Eskenazi Health Midtown Community Mental Health Eskenazi Health Midtown Community Mental Health Department of Psychology Hasson-Ohayon I Bar Ilan Univ Dept Psychol Department of Psychology University of Indianapolis College of Applied Behavioral Sciences

Research indicates that individuals with schizophrenia recover. Recovery, however means different things to different individuals and regardless of what kind of experiences define recovery, the individual diagnosed with the serious mental illness must feel ownership of their recovery. This raises the issue of how mental health services should systematically promote recovery. This paper explores the practical implications for research on metacognition in schizophrenia for this issue. First, we present the integrated model of metacognition, which defines metacognition as the spectrum of activities which allow individual to have available to themselves an integrated sense of self and others as they appraise and respond to the unique challenges they face. Second, we present research suggesting that many with schizophrenia experience deficits in metacognition and that those deficits compromise individuals' abilities to manage their lives and mental health challenges. Third, we discuss a form of psychotherapy inspired by this research, Metacognitive Reflection and Insight Therapy which assists individuals to recapture the ability to form integrated ideas about themselves and others and so direct their own recovery. The need for recovery oriented interventions to focus on process and on patient's purposes, assess metacognition and consider the intersubjective contexts in which this occurres is discussed.

关键词： Schizophrenia Rehabilitation Self Psychosis Metacognition Recovery Psychotherapy Social cognition

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