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Communications in Computational Physics 2013年第3期13卷 801-822页

作者： Siarhei Khirevich Alexandra Holtzel Ulrich Tallarek department of Chemistry Philipps-Universitat MarburgHans-Meerwein-Strasse35032 MarburgGermany

We employ the lattice Boltzmann method and random walk particle tracking to simulate the time evolution of hydrodynamic dispersion in bulk,random,monodisperse,hard-sphere packings with bed porosities(interparticle void volume fractions)between the random-close and the random-loose packing *** JodreyTory and Monte Carlo-based algorithms and a systematic variation of the packing protocols we generate a portfolio of packings,whose microstructures differ in their degree of heterogeneity(doH).Because the doH quantifies the heterogeneity of the void space distribution in a packing,the asymptotic longitudinal dispersion coefficient calculated for the packings increases with the packings’*** investigate the influence of packing length(up to 150 d_(p),where d_(p) is the sphere diameter)and grid resolution(up to 90 nodes per d_(p))on the simulated hydrodynamic dispersion coefficient,and demonstrate that the chosen packing dimensions of 10 d_(p)×10 d_(p)×70 d_(p) and the employed grid resolution of 60 nodes per d_(p) are sufficient to observe asymptotic behavior of the dispersion coefficient and to minimize finite size *** values of the dispersion coefficients calculated for the generated packings are compared with simulated as well as experimental data from the literature and yield good to excellent agreement.

关键词： Packing microstructure degree of heterogeneity packing algorithm hydrodynamic dispersion random sphere packings

In Vivo Function of Tic22, a Protein Import Component of the Intermembrane Space of Chloroplasts

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Molecular Plant 2013年第3期6卷 817-829页

作者： Mareike Rudolf Anu B. Machettira Lucia e. Groβ Katrin L. Weber Kathrin Bolte Tihana Bionda Maik S. Sommer Uwe G. Maier Andreas RM. Weber enrico Schleiff Joanna Tripp department of Biosciences Molecular Cell Biology of Plants Center of Membrane Proteomics and Cluster of Excellence Frankfurt Goethe University Max-von-Laue Str. 9 D-60438 Frankfurt Germany institute of Plant Biochemistry Heinrich-Heine-University Universitatsstr. 1 D-40225 Dusseldorf Germany Cell Biology Philipps University Marburg Karl-von-Frisch-Str. 8 D-35032 Marburg Germany LOeWe Center for Synthetic Microbiology (SYNMIKRO) Hans-Meerwein-Str. D-35032 Marburg Germany

Preprotein import into chloroplasts depends on macromolecular machineries in the outer and inner chloroplast envelope membrane （TOC and TIC）. It was suggested that both machineries are interconnected by components of the intermembrane space （IMS）. That is, amongst others, Tic22, of which two closely related isoforms exist in Arabidopsis thaliana, namely atTic22-III and atTic22-IV. We investigated the function of Tic22 in vivo by analyzing T-dNA insertion lines of the corresponding genes. While the T-dNA insertion in the individual genes caused only slight defects, a double mutant of both isoforms showed retarded growth, a pale phenotype under high-light conditions, a reduced import rate, and a reduction in the photosynthetic performance of the plants. The latter is supported by changes in the metabolite content of mutant plants when compared to wild-type. Thus, our results support the notion that Tic22 is directly involved in chloroplast preprotein import and might point to a particular importance of Tic22 in chloroplast biogenesis at times of high import rates.

关键词： protein translocation TOC and TIC intermembrane space translocon chloroplast biogenesis metabolitecontent.

endothelial dysfunction contributes to severe COVId-19 in combination with dysregulated lymphocyte responses and cytokine networks

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Signal Transduction and Targeted Therapy 2022年第1期7卷 243-257页

作者： Louisa Ruhl Isabell Pink Jenny F.Kiihne Kerstin Beushausen Jana Keil Stella Christoph Andrea Sauer Lennart Boblitz Julius Schmidt Sascha david hans-Martin Jack edith Roth Markus Cornberg Thomas F.Schulz Tobias Welte Marius M.Hoper Christine S.Falk institute of Transplant immunology MHHDHanoverGermany department of Pneumology MHHDHanoverGermany department of Intensive Care Medicine University of ZurichCHZurichSwitzerland division of Molecular immunology Internal Medicine IIINikolaus-Fiebiger-Center of Molecular MedicineFriedrich-Alexander University Erlangen-NurnbergDErlangenGermany department of Gastroenterology Hepatology and endocrinology MHHDHanoverGermany Center for Individualized Infection Medicine CiiM HanoverGermany lnstitute of Virology MHHDHanoverGermany German Center for Infection Research DZIFTTU-IICHMarburgGermany excellence Cluster 2155 ReSIST MHHHanoverGermany German Center for Lung diseases dZL/BReATH MarburgGermany

The systemic processes involved in the manifestation of life・threatening COVId-19 and in disease recovery are still incompletely understood,despite investigations focusing on the dysregulation of immune responses after SARS-CoV-2 *** define hallmarks of severe COVId-19 in acute disease(n=58)and in disease recovery in con valesce nt patie nts(n=28)from Han nover Medical School,we used flow cytometry and proteomics data with unsupervised clustering *** our observational study,we combined analyses of immune cells and cytokine/chemokine networks with endothelial activation and *** patients displayed an altered immune signature with prolonged lymphopenia but the expansion of granulocytes and plasmablasts along with activated and terminally differentiated T and NK cells and high levels of SARS-CoV-2-specific *** core signature of seven plasma proteins revealed a highly inflammatory microenvironment in addition to endothelial injury in severe *** within this sign ature were associated with either disease progression or *** summary,our data suggest that besides a strong inflammatory response,severe COVId-19 is driven by endothelial activation and barrier disruption,whereby recovery depends on the regeneration of the endothelial integrity.

关键词： cytokine networks signature

Automatic Acquisition of Symbolic Knowledge from Subsymbolic Neural Networks

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Automatic Acquisition of Symbolic Knowledge from Subsymbolic...

Solid-State NMR Spectroscopic Study of Chromophore-Protein Interactions in the Pr Ground State of Plant Phytochrome A

International Conference on Signal Processing(ICSP’93)

作者： Alfred Ultsch Heng Li FG Informatik Philipps University of Marburg Hans Meerwein Str.22（Lahnberge） D-3550 Marburg/LahnGermany

＜正＞Knowledge acquisition is a bottleneck in AI *** learning is a new perspective in knowledge *** our approach we have extended Kohonen’s self-organizing feature maps （SOFM） by the U-matrix method for the discovery of structures *** have developed a machine learning algorithm,called SIG*,which automated extracts rules out of SOFM which are trained to classify high-dimensional **** selects significant attributes and constructs appropriate conditions for them in order to characterize each *** SIG* generates also differentiating rules,which distinguish classes from each *** algorithm has been tested on many different data sets with promising *** framework of using SIG* integrated in a system which automated acquires knowledge from learned SOFM is also presented.

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Molecular Plant 2012年第3期5卷 698-715页

作者： Chen Song Lars-Oliver essen Wolfgang Ga＇rtner Jon Hughes J6rg Matysik Leids Instituut voor Chemisch Onderzoek Universiteit Leiden PO Box 9502 2300 RA Leiden The Netherlands Fachbereich Chemie Philipps-Universita＇t Marburg Hans-Meerwein-Stral3e D-35032 Marburg Germany Max-Planck-lnstitut for Bioanorganische Chemie StiftstraBe 34-36 D-45470 MCu＇lheim an der Ruhr Germany Pflanzenphysiologie Justus-Liebig-Universita＇t SenckenbergstraBe 3 D-35390 Giessen Germany

despite extensive study, the molecular structure of the chromophore-binding pocket of phytochrome A （phyA）, the principal photoreceptor controlling photomorphogenesis in plants, has not yet been successfully resolved. Here, we report a series of two-dimensional （2-d） magic-angle spinning solid-state NMR experiments on the recombi- nant N-terminal, 65-kda PAS-GAF-PHY light-sensing module of phytochrome A3 from oat （Avena sativa）, assembled with uniformly 13C- and lSN-labeled phycocyanobilin （u-[13C,15N]-***3）. The Pr state of this protein was studied regarding the electronic structure of the chromophore and its interactions with the proximal amino acids. Using 2-d 13C-13C and 1HJSN experiments, a complete set of 13C and 15N assignments for the chromophore were obtained. Also, a large number of 1H-13C distance restraints between the chromophore and its binding pocket were revealed by inter- facial heteronuclear correlation spectroscopy. 13C doublings of the chromophore A-ring region and the C-ring carbox- ylate moiety, together with the observation of two Pr isoforms, Pr-I and Pr-II, demonstrate the local mobility of the chromophore and the plasticity of its protein environment. It appears that the interactions and dynamics in the binding pocket of phyA in the Pr state are remarkably similar to those of cyanobacterial phytochrome （Cphl）. The N-terminus of the region modeled （residues 56-66 of phyA） is highly mobile. differences in the regulatory processes involved in plant and Cphl phytochromes are discussed.

关键词： solid-state NMR plant phytochrome chromophore-protein interaction signal transduction

Symmetry Reduction upon Size Mismatch:The Non-lcosahedral Intermetalloid Cluster [Co@Ge12]^3-

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Chinese Journal of Chemistry 2018年第12期36卷 1165-1168页

作者： Chao Liu Lei-Jiao Li Ivan A.Popov Robert J.Wilson Cong-qiao Xu Jun Li Alexander I.Boldyrev Zhong-Ming Sun State Key Laboratory of Rare earth Resource Utilization Changchun Institute of Applied ChemistryChinese Academy of Sciences5625 Renmin StreetChangchunJilin 130022China University of Chinese Academy of Sciences Beijing 100049China School of Materials Science and engineering Research Center of Rare Earth and Inorganic Functional MaterialsNankai UniversityTianjin 300350China School of Chemistry & environmental engineering Chang chun University of Science & TechnologyChangchunJilin 130022China department of Chemistry and Biochemistry Utah State University0300 Old Main HillLosanUtah84322-0300USA Fachbereich Chemie und Wissenschaftliches Zentrum fur Materialwissenschaften (WZMW) Philipps-Universtat MarburgHans-Meerwein-Straβe35043 MarburgGermany department of Chemistry and Key Laboratory of Organic Optoelectronics & Molecular engineering of Ministry of education Tsinghua UniversityBeijing 200084China

A new complex comprising [Co@Ge 12 ] 3– cluster core was synthesized through the reaction of CoMe(PMe 3 ) 4 and K 4 Ge 9 in ethylenediamine solution. The pseudo‐ d 5d geometry of this cluster can be viewed as structurally derived from an icosahedral cage via Jahn‐Teller effect, leading to notable bonding differences from I h ‐[M@e 12 ] q − clusters (e = Sn, Pb with q = 2, 3). The [Co@Ge 12 ] 3– cluster represents a structural conundrum. On the basis of the geometric considerations it could be viewed as a sandwich complex. However, chemical bonding analysis revealed that there is a direct covalent multicenter bonding between the two pentagons, thus indicating that the structure should be viewed as an elongated icosahedron. Further theoretical calculations on [M@Ge 12 ] 3− (M = Rh, Ir, Mt) indicate that similar compounds of larger‐size metal atoms can drive the complete transformation of [M@Ge 12 ] 3− clusters from icosahedron structure to a sandwich one.

关键词： Zintl ions intermetalloid cluster icosahedron Sandwich complex

No association between Parkinson disease and autoantibodies against NMdA-type glutamate receptors

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Translational Neurodegeneration 2019年第1期8卷 127-133页

作者： Franziska Hopfner Stefanie HMüller dagmar Steppat Joanna Miller Nele Schmidt Klaus-Peter Wandinger Frank Leypoldt daniela Berg Andre Franke Wolfgang Lieb Lukas Tittmann Monika Balzer-Geldsetzer Simon Baudrexel Richard dodel Ruediger Hilker-Roggendorf elke Kalbe Jan Kassubek Thomas Klockgether Inga Liepelt-Scarfone Brit Mollenhauer Petra Neuser Kathrin Reetz Oliver Riedel Claudia Schulte Jörg BSchulz Annika Spottke Alexander Storch Claudia Trenkwalder hans-Ulrich Wittchen Karsten Witt Ullrich Wüllner Günther deuschl Gregor Kuhlenbäumer department of Neurology University Hospital Schleswig HolsteinArnold-Heller Str.324105 KielGermany Center of Blood Transfusion University Hospital Schleswig HolsteinKiel&LübeckGermany department of Clinical Chemistry University Hospital Schleswig-HolsteinKielGermany institute of Clinical Molecular Biology University Hospital Schleswig-HolsteinKielGermany institute of epidemiology University Hospital Schleswig-HolsteinKielGermany Chair of Geriatric Medicine University Hospital EssenEssenGermany department of Neurology Philipps-University MarburgMarburgGermany department of Neurology Goethe UniversityFrankfurt/MainGermany Brain Imaging Center Goethe UniversityFrankfurt/MainGermany department of Medical Psychology|Neuropsychology and Gender Studies&Center for Neuropsychological diagnostics and Intervention(CeNdI) University Hospital CologneCologneGermany Psychological Gerontology Institute of GerontologyUniversity of VechtaVechtaGermany department of Neurology University of UlmUlmGermany department of Neurology University of Bonnand German Center for Neurodegenerative Diseases(DZNE)BonnGermany Center for Neurology Hertie Institute for Clinical Brain ResearchDepartment of Neurodegenerative DiseasesUniversity of TübingenTübingenGermany dZNe German Center for Neurodegenerative DiseasesTübingenGermany Paracelsus-elena-Klinik KasselGermany institute of Neuropathology and department of Neurosurgery University Medical Center GöttingenGöttingenGermany Coordinating Centre for Clinical Trials Philipps-UniversityMarburgGermany department of Neurology RWTH Aachen UniversityAachenGermany JARA-BRAIN institute of Molecular Neuroscience and Neuroimaging Forschungszentrum Jülich GmbH and RWTH Aachen UniversityAachenGermany Leibniz institute for Prevention Research and epidemiology-BIPS Achterstrasse 3028359 BremenGermany department of Neurology Technische Universität Dresden01307 DresdenGermany German Center for Neurodegenerative diseases(dZNe) Research Site Rostock18147 RostockGerma

Background:IgG-class autoantibodies to N-Methyl-d-Aspartate(NMdA)-type glutamate receptors define a novel entity of autoimmune *** examining the prevalence of NMdA IgA/IgM antibodies in patients with Parkinson disease with/without dementia produced conflicting *** measured NMdA antibodies in a large,well phenotyped sample of Parkinson patients without and with cognitive impairment(n=296)and controls(n=295)free of neuropsychiatric *** phenotyping and large numbers allowed statistically meaningful correlation of antibody status with diagnostic subgroups as well as quantitative indicators of disease severity and cognitive ***:NMdA antibodies were analysed in the serum of patients and controls using well established validated *** used anti-NMdA antibody positivity as the main independent variable and correlated it with disease status and phenotypic ***:The frequency of NMdA IgA/IgM antibodies was lower in Parkinson patients(13%)than in controls(22%)and higher than in previous studies in both *** IgA/IgM antibodies were neither significantly associated with diagnostic subclasses of Parkinson disease according to cognitive impairment,nor with quantitative indicators of disease severity and cognitive impairment.A positive NMdA antibody status was positively correlated with age in controls but not in Parkinson ***:It is unlikely albeit not impossible that NMdA antibodies play a significant role in the pathogenesis or progression of Parkinson disease *** Parkinson disease with dementia,while NMdA IgG antibodies define a separate disease of its own.

关键词： NMdA antibody NMdA IgA/IgM antibodies Parkinson disease Cognitive impairment