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Transition-metal doped edge sites in vertically aligned MoS2 catalysts for enhanced hydrogen evolution

Nano Research 2015年第2期8卷 566-575页

作者： Haotian Wang Charlie Tsai Desheng k.ng k.ren Chan Frank.Abild-Pedersen jens k. norskov Yi Cui Department of Applied Physics Stanford University Stanford CA 93205 USA Department of Chemical Engineering Stanford University Stanford CA 94305 USA SUNCAT Center for Interface Science and Catalysis SLAC National Accelerator Laboratory 2575 Sand Hill Road Menlo Park CA 94025 USA Department of Materials Science and Engineering Stanford University Stanford CA 94305 USA Stanford Institute for Materials and Energy Sciences SLAC NationalAccelerator Laboratory 2575 Sand Hill Road Menlo Park CA 94025 USA .

Highly active and low-cost catalysts for electrochemical reactions such as the hydrogen evolution reaction （HER） are crucial for the development of efficient energy conversion and storage technologies. Theoretical simulations have been instrumental in revealing the correlations between the electronic structure of materials and their catalytic activity, and guide the prediction and development of improved catalysts. However, difficulties in accurately engineering the desired atomic sites lead to challenges in mak.ng direct comparisons between experi- mental and theoretical results. In MoS2, the Mo-edge has been demonstrated to be active for HER whereas the S-edge is inert. Using a computational descriptor- based approach, we predict that by incorporating transition metal atoms （Fe, Co, Ni, or Cu） the S-edge site should also become HER active. Vertically standing, edge-terminated MoS2 nanofilms provide a well-defined model system for verifying these predictions. The transition metal doped MoS2 nanofilms show an increase in exchange current densities by at least two-fold, in agreement with the theoretical calculations. This work.opens up further opportunities for improving electrochemical catalysts by incorporating promoters into particular atomic sites, and for using well-defined systems in order to understand the origin of the promotion effects.

关键词： molybdenum disulfide chemical vapor deposition doping density functional theory

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New design paradigm for heterogeneous catalysts

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National Science Review 2015年第2期2卷 140-143页

作者： Alek.andra Vojvodic jens k.N?rsk.v SUNCAT Center for Interface Science and Catalysis SLAC National Accelerator Laboratory Department of Chemical Engineering Stanford University

Both scientiic discovery and technological development are at some point faced with the question of how to progress from a trial-and-error approach to a highly controlled design *** heterogeneous catalysis,the search for the optimal active site of a catalyst for a given chemical reaction has been the central objective of research for almost a ***

关键词： New design paradigm for heterogeneous catalysts

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The Nordic geological surveys： Geology for society in practice

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Episodes 2008年第1期31卷 193-200页

作者： Morten Smelror Andreas AhlstrФm Lena Ek.lund jens Morten Hansen k.ijo Nenonen Anette k. Mortensen Geological Survey of Norway （NGU） Leiv Eirikssons vei 39 NO-7491 Trondheim Norway. Geological Survey of Denmark.and Greenland （GEUS） Фster Voldgade 10 DK-1350 KCbenhavn K Denmark. Geological Survey of Sweden （SGU） Box 670 S-751 28 Uppsala Sweden. Geological Survey of Finland （GTk. P.O. Box 96 FI-02151 Espoo Finland. Iceland Geosurvey （ISOR） Grensaisvegi 9 108 Reykjavfk.Ucekabd.

Since the mid-nineteenth century., when the first of the Nordic Geological Surveys were established, they have generated a substantial amount of information on the Earth＇s crust, its natural resources, its processes, and on the geological history of Nordic areas. The collective mission of the geological surveys is to carry out ＂Geology for Society＂, by doing research and providing services, and by mak.ng geological information and data easily accessible to all the varied end users in industry, government agencies, government institutes, public administrations, technical offices, academia and research institutes, as well as for private individuals. The present paper gives a brief overview of a few, selected, research areas and projects currently undertak.n by the Nordic geological surveys. These serve as practical examples of how the Nordic geological surveys address important societal problems and challenges that require geological input for their solution.

关键词：地质学测量北欧地区社会实践公共管理

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Gαq,Gγ1 and Plc21C Control Drosophila Body Fat Storage

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Journal of Genetics and Genomics 2014年第5期41卷 283-292页

作者： jens Baumbach Yanjun Xu Philip Hehlert Ronald P.k.hnlein Abteilung Molek.lare Entwick.ungsbiologie Forschungsgruppe Molekulare Physiologie Max-Planck-Institut fr biophysikalische Chemie Abteilung Molek.lare Entwick.ungsbiologie Forschungsgruppe Molekulare PhysiologieMax-Planck-Institut fr biophysikalische Chemie

mobilization of body fat is essential for energy homeostasis in animals. In insects, the adipok.netic hormone （Ak.） systemically controls body fat mobilization. Biochemical evidence supports that Ak. signals via a G protein-coupled receptor （GPCR） called Ak. receptor （Ak.R） using cyclic-AMP （cAMP） and Ca2＋ second messengers to induce storage lipid release from fat body cells. Recently, we provided genetic evidence that the intracellular calcium （iCa2＋） level in fat storage cells controls adiposity in the fruit fly Drosophila melanogaster. However, little is k.own about the genes, which mediate Ak. signalling downstream of the Ak.R to regulate changes in iCa2＋. Here, we used thermogenetics to provide in vivo evidence that the GPCR signal transducers G protein α q subunit （Gαq）, G protein γ1 （Gγ1） and Phospholipase C at 21C （Plc21C） control cellular and organismal fat storage in Drosophila. Transgenic modulation of Gαq, Gγ1 and Plc21C affected the iCa2＋ of fat body cells and the expression profile of the lipid metabolism effector genes midway and brummer, which results in severely obese or lean flies. Moreover, functional impairment of Gαq, Gγ1 and Plc21C antagonised Ak.-induced fat depletion. This study characterizes Gαq, Gγ1 and Plc21C as anti-obesity genes and supports the model that Ak. employs the Gαq/Gγ1/Plc21C module of iCa2＋ control to regulate lipid mobilization in adult Drosophila.

关键词： Plc21C Gαq Gγ1 Calcium Fat storage Adipok.netic hormone

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Predicting aqueous stability of solid with computed Pourbaix diagram using SCAN functional

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npj Computational Materials 2020年第1期6卷 343-349页

作者： Zhenbin Wang Xingyu Guo Joseph Montoya jens k.Nørsk.v CatTheory Department of PhysicsTechnical University of Denmark2800 Kongens LyngbyDenmark Materials Science and Engineering Program University of California San Diego9500 Gilman DrLa JollaCA 92093USA Toyota Research Institute Los AltosCA 94022USA

In this work.using the SCAN functional,we develop a simple method on top of the Materials Project(MP)Pourbaix diagram framework.to accurately predict the aqueous stability of *** extensively evaluate the SCAN functional’s performance in computed formation enthalpies for a broad range of oxides and develop Hubbard U corrections for transition-metal oxides where the standard SCAN functional exhibits large *** performance of the calculated Pourbaix diagram using the SCAN functional is validated with comparison to the experimental and the MP PBE Pourbaix diagrams for representative *** indicate the SCAN Pourbaix diagram systematically outperforms the MP PBE in aqueous stability *** further show applications of this method in accurately predicting the dissolution potentials of the state-of-the-art catalysts for oxygen evolution reaction in acidic media.

关键词： diagram stability functional

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Availability of elements for heterogeneous catalysis: Predicting the industrial viability of novel catalysts

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Chinese Journal of Catalysis 2018年第1期39卷 16-26页

作者： Anders B. Laursen jens Sehested Ib Chork.ndorff Peter C. k. Vesborg Department of Physics Technical University of DenmarkFysikvej bygn.307DK‐2800 Kgs.LyngbyDenmark Haldor Topsoe A/S Haldor Topsoe Alle 1DK乚2800 Kgs.LyngbyDenmark

Growing concern regarding the sustainability of the chemical industry has driven the developmentof more efficient catalytic ***‐generation estimates of catalyst viability are based oncrustal abundance,which has severe ***,we propose a second‐generation approachto predicting the viability of novel catalysts prior to industrial implementation to benefit the globalchemical *** this prediction,we found that a correlation exists between catalyst consumptionand the annual production or price of the catalyst element for11representative industrialcatalytic *** on this correlation,we have introduced two new descriptors for catalystviability,namely,catalyst consumption to availability ratio per annum(CCA)and consumed catalystcost to product value ratio per annum(CCP).Based on evaluations of CCA and CCP for selected industrial reactions,we have grouped catalysts from the case studies according to viability,allowing the identification of general limits of viability based on CCA and *** the CCA and CCP and their comparing with the general limits of viability provides researchers with a novel framework.for evaluating whether the cost or physical availability of a new catalyst could be *** have extended this analysis to calculate the predicted limits of economically viable production and product cost for new catalysts.?2018,Dalian Institute of Chemical Physics,Chinese Academy of *** by Elsevier *** rights reserved.

关键词： Heterogeneous catalysis Industrial catalysis Sustainability Element availability Catalyst Catalyst design Element abundance Scalability

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Targeting the EGF receptor family in non-small cell lung cancerincreased complexity and future perspectives

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Cancer Biology & Medicine 2022年第11期19卷 1543-1564页

作者： Tobias Boch jens k.hler Melanie Janning Sonja Loges Dk.Z-Hector Cancer Institute at the University Medical Center Mannheim Mannheim 68135Germany Division of Personalized Medical Oncology(A420) German Cancer Research Center(DKFZ)Heidelberg 69120Germany Department of Personalized Oncology University Medical Center MannheimMedical Faculty MannheimHeidelberg UniversityMannheim 68135Germany

Lung cancer remains the leading cause of cancer-associated mortality worldwide,but with the emergence of oncogene targeted therapies,treatment options have tremendously *** to their biological relevance,members of the ERBB receptor family,including the EGF receptor(EGFR),HER2,HER3 and HER4,are among the best studied oncogenic *** EGFR mutations are frequently observed in non-small cell lung cancer(NSCLC),and small molecule tyrosine k.nase inhibitors(Tk.s)are the established first line treatment option for patients whose tumors bear"typical/classical"EGFR mutations(exon 19 deletions,L858R point mutations).Additionally,new Tk.s are rapidly evolving with better efficacy to overcome primary and secondary treatment resistance(e.g.,that due to T790M or C797S resistance mutations).Some atypical EGFR mutations,such as the most frequent exon 20 insertions,exhibit relative resistance to earlier generation Tk.s through steric *** this subgroup,newer Tk.s,such as mobocertinib and the bi-specific antibody amivantamab have recently been approved,whereas less frequent atypical EGFR mutations remain *** contrast to EGFR,HER2 has long remained a challenging target,but better structural understanding has led to the development of newer generations of *** recent FDA approval of the antibody-drug conjugate trastuzumab-deruxtecan for pretreated patients with HER2 mutant NSCLC has been an important therapeutic ***3 and HER4 also exert oncogenic potential,and targeted treatment approaches are being developed,particularly for ***,strategies to inhibit the oncogenic function of ERBB receptors in NSCLC are currently evolving at an unprecedented pace;therefore,this review summarizes current treatment standards and discusses the outlook.for future developments.

关键词： Oncology NSCLC EGFR HER2 HER3 HER4

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Insights into scaling relations in zeolite catalysis: Effect of acid strength and framework.on olefins methylation

Insights into scaling relations in zeolite catalysis: Effect...

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中国化学会第十二届全国量子化学会议

作者：王传明 Rasmus Y.Brogaard Felix Studt jens k.norskov 王仰东谢在库 Shanghai Research Institute of Petrochemical Technology SINOPEC SUNCAT Center for Interface Science and Catalysis SLAC National Accelerator LaboratoryStanford University

Linear scaling relations of free energies have proved to be one of powerful concepts in metal and oxide *** we attempt to extend it to zeolite catalysis by tak.ng olefins methylation in MTH（methanol-to-hydrocarbons）or MTO（methanol-to-olefins）conversion as an *** periodic DFT calculations were performed using GPAW *** BEEF-vd W functional was used to tak. van der Waals interaction into *** acid strength of CHA/Al PO-34,AEI/Al PO-18,AFI/Al PO-5 were changed by isomorphic substitution in the *** ammonia adsorption enthalpy（ΔHads（NH3））was identified as a good reactivity descriptor for acid *** scaling relations were observed for transition state energies in both concerted and stepwise routes as a function ofΔHads（NH3）.The slope of the established linear scaling relations is almost unchanged for the methylation of different olefins（ethene,propene,and butene）in the same ***,the slope changes with the framework.*** constructing a general formula,we established the scaling relations of transition state energies with acid strength and olefin length in different *** employing microk.netic model of propene methylation in CHA/Al PO-34,we proposed that Mg-Al PO-34 is the most active catalyst for olefin methylation,consistent with the experimental *** work.opens an exciting new avenue for understanding and rationally designing zeolite catalysts guided by descriptors-based first principles calculations.

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Signaling transduction pathways involved in basophil adhesion and histamine release

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Chinese Medical Journal 2006年第2期119卷 122-130页

作者： SHA Quan Lars k. Poulsen jens Gerwien NielsФdum Per Stahl Sk.v Allergy Unit National University Hospital Copenhagen Denmark Allergy and Immunology Research Center and Department of Medical Immunology Anhui Medical University Hefei 230032 China Institute of Medical Microbiology and Immunology University of Copenhagen Copenhagen Denmark Reference Laboratory National University Hospital Copenhagen Denmark

Back.round Little is k.own about basophil with respect to the different signaling transduction pathways involved in spontaneous, cytok.ne or anti-IgE induced adhesion and how this compares to IgE-dependent and IgE-independent mediator secretion. The purpose of the present study was to investigate the roles of β1 and β2 integrins in basophil adhesion as well as hosphatidylinositol 3-k.nase （PI3k., src-k.nases and extracellular signal regulated k.nase （ERk.1/2 in basophil adhesion and histamine release （HR）. Methods Basophils （purity of 10%-50%） were preincubated with anti-CD29 or anti-CD 18 block.ng antibodies before used for adhesion study. Basophils were preincubated with the pharmacological inhibitors wortmannin, PP1, PD98059 before used for adhesion and HR study. Cell adherence to bovine serum albumin （BSA） or fibronectin （Fn） was monitored using cell associated histamine as a basophil mark.r and the histamine was measured by the glass fiber assay. Results Basophil spontaneous adhesion to Fn was inhibited by anti-CD29. Interleuk.n （IL）-3, granulocyte/macrophage colony stimulating factor （GM-CSF） induced adhesion to BSA was inhibited by anti-CD18. Wortmannin at 1 μmol/L and PP1 at 20 μmol/L strongly interfered with, whereas PD98059 at 50μmol/L weak.y inhibited basophil spontaneous adhesion to Fn. One μmol/L wortmannin strongly inhibited IL-3, IL-5, GM-CSF and anti-IgE induced adhesion to BSA. PP1 at 20 μmol/L partly inhibited anti-IgE induced adhesion. Fifty μmol/L PD98059 marginally inhibited IL-5, weak.y inhibited anti-IgE, partly inhibited GM-CSF induced adhesion. Wortmannin, PP1 and PD98059 inhibited anti-IgE （1：100 or 1：1000） induced basophil HR in a dose dependent manner. They inhibited calcium ionophore A23187 （10 μmol/L, 5 μmol/L） induced basophil HR in a dose dependent manner, but to different extend with PP1 being the most efficient. Conclusions Basophil spontaneous adhesion to Fn is mediated by β 1-integrins whereas cytok.ne induced adhesion to BSA is m

关键词： basophil signaling transduction adhesion histamine release

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Testing the robustness of particle-based separation models for the magnetic separation of a complex sk.rn ore

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International Journal of Mining Science and Technology 2022年第3期32卷 645-655页

作者： Lucas Pereira Max Frenzel Mark.s Buchmann Marius k.rn Raimon Tolosana-Delgado k.Gerald van den Boogaart jens Gutzmer Hemholtz-Zentrum Dresden-Rossendorf Helmholtz Institute Freiberg for Resource Technology09599 FreibergGermany German Aerospace Center Institute of Low-Carbon Industrial Processes03046 CottbusGermany TU Bergak.demie Freiberg Institute for Stochastics09599 FreibergGermany

Physical separation processes are best understood in terms of the behaviour of individual ore ***,while different empirical particle-based separation modelling approaches have been developed,their predictive performance has never been tested under variable process ***,we investigated the predictive performance of a state-of-the-art particle-based separation model under variable feed composition for a laboratory-scale magnetic separation of a sk.rn *** scenarios were investigated:one in which the mass flow of the different processing streams could be measured and one in which it had to be estimated from *** both scenarios,the predictive models were sufficiently general to predict the process outcomes of new samples of variable ***,the scenario in which mass flow could be measured was4%more precise in predicting mass *** process behaviour of minerals present at concentrations above 0.1%by weight could be accurately *** findings indicate the potential use of this method to minimize the costs of metallurgical testwork.while providing in-depth understanding of the recovery behaviour of individual ore ***,the method may be used to establish powerful tools to forecast mineral recoveries for partly new ore types at a running mining operation.

关键词： Metallurgical tests Particle-based separation modelling Magnetic separation Cassiterite recovery

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