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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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Increasing the Maximum Capacity path in a Network and Its Application for Improving the Connection Between Two Routers

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Tsinghua Science and Technology 2024年第3期29卷 753-765页

作者： adrian M.Deaconu Javad Tayyebi Department of Mathematics and Computer Science Transilvania University of BrasovBrasov 500036Romania Department of Industrial Engineering Birjand University of TechnologyBirjand 000097Iran

Abstract:This paper addresses the problem of improving the optimal value of the Maximum Capacity path(MCp)through expansion in a flexible network,and minimizing the involved *** only condition applied to the cost functions is to be non-decreasing *** is a non-restrictive condition,reflecting the reality in practice,and is considered for the first time in the ***,the total cost of expansion is a combination of max-type cost(e.g.,for supervision)and sum-type cost(*** building infrastructures,price of materials,price of labor,etc.).For this purpose,two types of strategies are combined:(l)increasing the capacity of the existing arcs,and(l)adding potential new *** different problems are introduced and *** the problems have immediate applications in Internet routing *** first one is to extend the network,so that the capacity of an Mcp in the modified network becomes equal to a prescribed value,therefore the cost of modifications is minimized.A strongly polynomial-time algorithm is deduced to solve this *** second problem is a network expansion under a budget constraint,so that the capacity of an Mcp is maximized.A weakly polynomial-time algorithm is presented to deal with *** the special case when all the costs are linear,a Meggido's parametric search technique is used to develop an algorithm for solving the problem in strongly polynomial *** new approach has a time complexity of O(n^(4)),which is better than the time complexity of O(n4 log(n)of the previously known method from literature.

关键词： Maximum Capacity path(MCp) network expansion Internet routing polynomial-time algorithms

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The concept of gene therapy for glaucoma:the dream that has not come true yet

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Neural Regeneration Research 2024年第1期19卷 92-99页

作者： Robert Sulak Xiaonan Liu adrian Smedowski Department of physiology Faculty of Medical Sciences in KatowiceMedical University of Silesia in KatowiceKatowicePoland Institute of Biotechnology HiLIFEUniversity of HelsinkiHelsinkiFinland GlaucoTech Co. KatowicePoland

Gene therapies,despite of being a relatively new therapeutic approach,have a potential to become an important alternative to current treatment strategies in *** glaucoma is not considered a single gene disease,the identified goals of gene therapy would be rather to provide neuroprotection of retinal ganglion cells,especially,in intraocular-pressure-independent *** most commonly reported type of vector for gene delivery in glaucoma studies is adeno-associated virus serotype 2 that has a high tro pism to retinal ganglion cells,res ulting in long-term expression and low immunogenic *** gene thera py studies recruit inducible and genetic animal models of optic neuropathy,like DBA/2J mice model of high-tension glaucoma and the optic nerve *** gene therapy-based neuroprotection of retinal ganglion cells is targeting specific genes translating to growth factors(i.e.,brain derived neurotrophic factor,and its receptor TrkB),regulation of apoptosis and neurodegeneration(i.e.,Bcl-xl,Xiap,FAS system,nicotinamide mononucleotide adenylyl transferase 2,Digit3 and Sarm1),immunomodulation(i.e.,Crry,C3 complement),modulation of neuroinflammation(i.e.,e rythropoietin),reduction of excitotoxicity(i.e.,Com KIlα)and transcription regulation(i.e.,Max,Nrf2).On the other hand,some of gene therapy studies focus on lowering intra ocular pressure,by impacting genes involved in both,decreasing aqueous humor production(i.e.,aquaporin 1),and increasing outflow facility(i.e.,COX2,prostaglandin F2a receptor,RhoA/RhoA kinase signaling pathway,MMp1,Myocilin).The goal of this review is to summarize the current stateof-art and the direction of development of gene therapy strategies for glaucomatous neuropathy.

关键词： adeno-associated virus gene editing gene therapy glaucoma IOp lowering IOp-independent mechanisms neuroprotection optic nerve optic neuropathy retinal ganglion cells

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Evaluating different levels of information on the calibration of building energy simulation models

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Building Simulation 2024年第4期17卷 657-676页

作者： Siyu Cheng Zeynep Duygu Tekler Hongyuan Ji Wenxin Li adrian Chong Department of the Built Environment College of Design and EngineeringNational University of Singapore4 Architecture DriveSingapore117566Singapore School of Civil Engineering and Architecture Chongqing University of Science and TechnologyChongqing401331China School of Energy and Environment Southeast UniversityNanjing210096China

A poorly calibrated model undermines confidence in the effectiveness of building energy simulation, impeding the widespread application of advanced energy conservation measures (ECMs). Striking a balance between information-gathering efforts and achieving sufficient model credibility is crucial but often obscured by ambiguities. To address this gap, we model and calibrate a test bed with different levels of information (LOI). Beginning with an initial model based on building geometry (LOI 1), we progressively introduce additional information, including nameplate information (LOI 2), envelope conductivity (LOI 3), zone infiltration rate (LOI 4), AHU fan power (LOI 5), and HVAC data (LOI 6). The models are evaluated for accuracy, consistency, and the robustness of their predictions. Our results indicate that adding more information for calibration leads to improved data fit. However, this improvement is not uniform across all observed outputs due to identifiability issues. Furthermore, for energy-saving analysis, adding more information can significantly affect the projected energy savings by up to two times. Nevertheless, for ECM ranking, models that did not meet ASHRAE 14 accuracy thresholds can yield correct retrofit decisions. These findings underscore equifinality in modeling complex building systems. Clearly, predictive accuracy is not synonymous with model credibility. Therefore, to balance efforts in information-gathering and model reliability, it is crucial to (1) determine the minimum level of information required for calibration compatible with its intended purpose and (2) calibrate models with information closely linked to all outputs of interest, particularly when simultaneous accuracy for multiple outputs is necessary.

关键词： calibration building energy simulation(BES) energy conservation measure(ECM) level of information field measurements

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Single-atom catalysts for the electrochemical reduction of carbon dioxide into hydrocarbons and oxygenates

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Carbon Energy 2024年第3期6卷 64-117页

作者： Karl adrian Gandionco Juwon Kim Lieven Bekaert Annick Hubin Jongwoo Lim Department of Chemistry Seoul National UniversitySeoulRepublic of Korea Research Group Electrochemical and Surface Engineering(SURF) Department of Materials and ChemistryVrije Universiteit BrusselBrusselsBelgium

The electrochemical reduction of carbon dioxide offers a sound and economically viable technology for the electrification and decarbonization of the chemical and fuel *** this technology,an electrocatalytic material and renewable energy-generated electricity drive the conversion of carbon dioxide into high-value chemicals and carbon-neutral *** the past few years,single-atom catalysts have been intensively studied as they could provide near-unity atom utilization and unique catalytic ***-atom catalysts have become one of the state-of-the-art catalyst materials for the electrochemical reduction of carbon dioxide into carbon ***,it remains a challenge for single-atom catalysts to facilitate the efficient conversion of carbon dioxide into products beyond carbon *** this review,we summarize and present important findings and critical insights from studies on the electrochemical carbon dioxide reduction reaction into hydrocarbons and oxygenates using single-atom *** is hoped that this review gives a thorough recapitulation and analysis of the science behind the catalysis of carbon dioxide into more reduced products through singleatom catalysts so that it can be a guide for future research and development on catalysts with industry-ready performance for the electrochemical reduction of carbon dioxide into high-value chemicals and carbon-neutral fuels.

关键词： electrocatalysis electrochemical CO_(2)reduction hydrocarbons oxygenates single-atom catalysts

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Modeling mitochondria,where are the numbers?

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Neural Regeneration Research 2024年第7期19卷 1435-1436页

作者： adrian M.Davies Alan G.Holt University Center Shrewsbury ShrewsburyShropshireUK

Models and simulations are particularly useful for exploring ideas and concepts in the biological sciences that are expe rimentally *** silico methods are also gaining acceptance with regulatory authorities as an alte... 详细信息

关键词： eliminate authorities acceptance

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A Distributionally Robust Optimization Scheduling Model for Regional Integrated Energy Systems Considering Hot Dry Rock Co-Generation

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Computer Modeling in Engineering & Sciences 2024年第8期140卷 1387-1404页

作者： Hao Qi Mohamed Sharaf Andres Annuk adrian Ilinca Mohamed A.Mohamed College of Electrical and New Energy China Three Gorges UniversityYichang443002China Department of Industrial Engineering College of EngineeringKing Saud UniversityRiyadh11421Saudi Arabia Institute of Forestry and Engineering Estonian University of Life SciencesTartu51006Estonia Department of Mechanical Engineering école de Technologie SupérieureMontréalQC H3C 1K3Canada Electrical Engineering Department Faculty of EngineeringMinia UniversityMinia61519Egypt

Hot dry rock(HDR)is rich in reserve,widely distributed,green,low-carbon,and has broad development potential and *** this paper,a distributionally robust optimization(DRO)scheduling model for a regionally integrated energy system(RIES)considering HDR co-generation is ***,the HDR-enhanced geothermal system(HDR-EGS)is introduced into the ***-EGS realizes the thermoelectric decoupling of combined heat and power(CHp)through coordinated operation with the regional power grid and the regional heat grid,which enhances the system wind power(Wp)feed-in ***,peak-hour loads are shifted using price demand response guidance in the context of time-of-day ***,the optimization objective is established to minimize the total cost in the RIES scheduling cycle and construct a DRO scheduling model for RIES with *** simulating a real small-scale RIES,the results show that HDR-EGS can effectively promote Wp consumption and reduce the operating cost of the system.

关键词： Energy harvesting integrated energy systems optimum scheduling time-of-use pricing demand response geothermal energy

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Bridging the gap:Unveiling the crisis of physical inactivity in inflammatory bowel diseases

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World Journal of Gastroenterology 2024年第10期30卷 1261-1265页

作者： Remus Stafie Ana-Maria Singeap adrian Rotaru Carol Stanciu Anca Trifan Department of Gastroenterology Faculty of Medicine“Grigore T.Popa”University of Medicine and PharmacyIasi 700115Romania Institute of Gastroenterology and Hepatology “St.Spiridon”University HospitalIasi 700111Romania

In this editorial we comment on the article titled“Inflammatory bowel diseases patients suffer from significant low levels and barriers to physical activity:The BE-FIT-IBD study”published in a recent issue of the World Journal of Gastroen-terology 2023;29(41):*** bowel diseases(IBD)are emerging as a significant global health concern as their incidence continues to rise on a global scale,with detrimental impacts on quality of *** many advances have been made regarding the management of the disease,physical inactivity in these patients represents an underexplored issue that may hold the key for further and better understanding the ramifications of *** pain,fatigue,and fear of exacerbating symptoms promotes physical inactivity among IBD patients,while the lack of clear guidelines on safe exercise regimens contributes to a norm of physical *** activity(pA)is accepted to have a positive effect on disease outcomes and quality of life,while inactivity exacerbates comorbidities like cardiovascular disease and mental health ***“BE-FIT-IBD”study,focusing on pA levels and barriers in IBD patients of Southern Italy,revealed that a significant proportion(42.9%)were physically *** lack of pA is attributed to barriers such as fear of flare-ups and misconceptions about exercise exacerbating the *** study also highlighted the need for better communication between healthcare providers and patients regarding the benefits of pA and safe incorporation into ***,physical inactivity may also contribute to disability in IBD patients,having a great impact on employment *** note is the fact that IBD also comes with an important psychological burden with relevant evidence suggesting that regular pA can improve mood,reduce anxiety,and enhance mental ***“BE-FIT-IBD”study advocated for the integration of pA into IBD management,emphasizing the bidirectional link between pA and *** exe

关键词： Inflammatory bowel disease physical activity Disability psychological burden Body composition Quality of life

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Emergence of biomass-derived single-atom catalysts for platform chemicals production

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Journal of Bioresources and Bioproducts 2024年第2期9卷 127-129页

作者： adrian Chun Minh Loy Sankar Bhattacharya Department of Chemical and Biological Engineering Monash UniversityClayton 3800VictoriaAustralia

The envisioned exponential growth in the utilization of single-atom catalysts(SACs)has recently emerged as a frontier in the spectrum of material *** is attributed to the distinctive properties of SACs,which encompass 100%atomic efficiency,superior selective performance,tunable coordination environment,and unique electronic structures(Wu et al.,2022b;Loy et al.,2023;Wang et al.,2023).The concept of single-atom isolation was initially introduced by Qiao et al.(2011),with the objective to explore the superior catalytic activity of pt single-atom compared to pt nanoparticles/nanoclusters in CO ***,Zhou et al.(2019)in-novatively developed the biomass-derived CO-based SACs and introduced for the oxidative esterification of *** there are many good pieces of news on the SACs,the large-scale fabrication of SACs remains a formidable challenge,impeding their potential to drive scalable production of drop-in *** primary challenge lies in the cost-intensive process of reducing the size of embedded metal particles to sub-angstrom dimensions,a necessary step for creating well-dispersed atomic active ***,this complexity arises from the inherent behavior of individual atoms that are inclined to migrate and cluster into nanoparticles due to their high surface free energy(Chen et al.,2021).

关键词： dimensions frontier attributed

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Corrosion Investigation by Scanning Electrochemical Microscopy of AISI 446 and Ti-Coated AISI 446 Ferritic Stainless Steel as potential Material for Bipolar plate in pEMWE

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Acta Metallurgica Sinica(English Letters) 2024年第4期37卷 607-619页

作者： Andrea Kellenberger Nicolae Vaszilcsin Mircea Laurentiu Dan Ion Mitelea Alexandru adrian Geana Sigrid Lædre Corneliu M.Craciunescu Faculty of Industrial Chemistry and Environmental Engineering Politehnica University TimisoaraPiata Victoriei 2300006TimisoaraRomania Faculty of Mechanical Engineering Politehnica University TimisoaraPiata Victoriei 2300006TimisoaraRomania SINTEF Industry 7465TrondheimNorway

The components of proton exchange membrane water electrolysers frequently experience corrosion issues, especially at high anodic polarization, that restrict the use of more affordable alternatives to titanium. Here, we investigate localized corrosion processes of bare and Ti-coated AISI 446 ferritic stainless steel under anodic polarization by scanning electrochemical microscopy (SECM) in sodium sulphate and potassium chloride solutions. SECM approach curves and area scans measured at open-circuit potential (OCp) of the samples in the feedback mode using a redox mediator evidence a negative feedback effect caused by the surface passive film. For the anodic polarization of the sample, the substrate generation-tip collection mode enables to observe local generation of iron (II) ions, as well as formation of molecular oxygen. For the uncoated AISI 446 sample, localized corrosion is detected in sodium sulphate solution simultaneously with oxygen formation at anodic potentials of 1.0 V vs. Ag/AgCl, whereas significant pitting corrosion is observed even at 0.2 V vs. Ag/AgCl in potassium chloride solution. The Ti-coated AISI 446 sample reveals enhanced corrosion resistance in both test solutions, without any evidence of iron (II) ions generation at anodic potentials of 1.2 V vs. Ag/AgCl, where only oxygen formation is observed.

关键词： Ferritic stainless steel Corrosion Ti coating Scanning electrochemical microscopy(SECM) Magnetron sputtering proton exchange membrane water electrolysis(pEMWE)

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