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ClH_2反应体系的一个完全从头算的势能面

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中国科学（B辑） 2000年第5期30卷 473-480页

作者：边文生刘成卜 H. j. werner 山东大学化学学院济南250100 Institute of Theoretical Chemistry

报道了一个关于 ClH2 反应体系的被称为BW3的从头算解析势能面. 这个势能面是基于用多参考组态相互作用(MRCI) + 标度外部相关(SEC)的方法和非常大的基组计算得到的约1 200个从头算能点拟合而成, 且拟合达到了很高的精度. BW3面能正确重... 详细信息

报道了一个关于 ClH2 反应体系的被称为BW3的从头算解析势能面. 这个势能面是基于用多参考组态相互作用(MRCI) + 标度外部相关(SEC)的方法和非常大的基组计算得到的约1 200个从头算能点拟合而成, 且拟合达到了很高的精度. BW3面能正确重复H2和HCl的离解能, 及Cl + H2抽取反应的吸收热. 对于Cl + H2抽取反应, BW3给出的鞍点位于线性构型, 垒高为32.84 kj.mol; 对于H + ClH 交换反应, BW3 也给出线性势垒, 垒高为77.4 kj.mol.

关键词：势能面 ClH2反应体系从头算电子相关

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果汁加工

果汁加工

作者： H.j.·比利希(H.j. Bielig) j.·维尔纳(j. werner)编写

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质子磁荷半径:新疑难?

Science Bulletin 2024年第4期69卷 419-421页

作者：林勇辉 Hans-werner Hammer Ulf-G.Meiûner Helmholtz Institut für Strahlen-und Kernphysik and Bethe Center for Theoretical Physics Universität BonnBonn D-53115Germany Technische Universität Darmstadt Department of PhysicsInstitut für KernphysikDarmstadt 64289Germany ExtreMe Matter Institute EMMI and Helmholtz Forschungsakademie Hessen für FAIR GSI Helmholtzzentrum für Schwerionenforschung GmbHDarmstadt 64291Germany Institute for Advanced Simulation and Institut für Kernphysik Forschungszentrum JülichJülich D-52425Germany Tbilisi State University Tbilisi 0186Georgia

The electric radius,rE,and the magnetic radius,rM,of the proton are fundamental quantities of low-energy QCD,as they are a measure of the probe-dependent size of the proton.

关键词： radius quantities fundamental

应用T2*校正MRI对伴铁沉积的肝脏脂肪的评估:一种临床方法

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国际医学放射学杂志 2013年第4期 404-405页

作者： H. Benj.min K. Christian R. Stefan E. Robert j. werner Z. Heinz 刘春明 Department of Radiology Innsbruck Medical UniversityAnichstraβe 356020 Innsbruck Austria

目的评估应用和不应用T2*校正的常规化学位移序列MRI诊断伴铁沉积的脂肪性肝炎（SH）的价值。方法回顾性分析31例临床怀疑弥漫性肝病并行MRI和肝活检的病人。应用常规扰相梯度回波T1FLAIR同反相位（IP/OP）计算相互集中的感兴趣区（ROI... 详细信息

目的评估应用和不应用T2*校正的常规化学位移序列MRI诊断伴铁沉积的脂肪性肝炎（SH）的价值。方法回顾性分析31例临床怀疑弥漫性肝病并行MRI和肝活检的病人。应用常规扰相梯度回波T1FLAIR同反相位（IP/OP）计算相互集中的感兴趣区（ROI）的信号强度（SI）。在脂肪饱和多回波梯度回波序列成像中记录T2*弛豫时间。根据未经T2*校正的和经T2*校正的SI计算脂肪分数（FF）。结果与肝活检相互关联。结果患有SH并伴肝内铁过载（HIO）病人的经T2*和未经T2*校正所计算的FF值之间有显著性差异（P<0.001）。以5%为阈值导致未经T2*校正的FF值出现8个假阴性结果,而经T2*校正的FF值可使上述8个假阴性结果中的5个转为真阳性结果。ROC分析计算出经T2*校正FF值的3个阈值（8.97%、5.3%和3.92%）,其准确度、敏感度和特异度分别为84%、83%91%和63%88%。结论 T2*校正的FF值能准确诊断伴有HIO肝脏的脂肪含量。我们的研究结果建议应用联合T2*校正的IP/OP成像。要点①MR检查有助于量化肝内脂肪与铁的含量。②T2*校正有助于脂肪性肝炎的准确诊断。③经T2*校正的化学位移序列测得的"脂肪分数"可准确量化肝内脂肪。④无T2*校正的化学位移序列测得的"脂肪分数"会低估伴有铁过载的肝内脂肪含量。

关键词： MRI 肝脏脂肪性肝炎铁过载 T2*

The clinical rehabilitation of spine and spinal cord disorders: detection and evaluation using SPECT/CT

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Neural Regeneration Research 2014年第8期9卷 795-797页

作者： Max j. Scheyerer Clément M.L.werner Patrick Veit-Haibach Centre for Orthopaedic and Trauma Surgery University Medical CenterJosef-Stelzmann-Str.9CologneGermany Department of Surgery Division of TraumaSurgeryUniversity Hospital ZurichZurichSwitzerland Department of Medical Radiology Division of Nuclear MedicineUniversity Hospital ZurichZurichSwitzerland Department of Medical Radiology Diagnostic and Inverventional Radiolo-gyUniversity Hospital ZurichZurichSwitzerland

Spine-related disorders are caused by several factors including （1） spinal nerve/visceral nerve stimulation by perivertebral aseptic inflammation, （2） spinal nerve/visceral nerve compression by inj.red periverterbal soft tissue, dislocated perivertebral small j.int, and proliferative/degenerative tissue and, （3） secondary damage to the spinal cord, peripheral nerve, vessels and autonomic nerve, which further stimulate nerve root sheath and surround- ing pain-carrying nerve fibers. In many cases, the source of pain cannot be detected by standard image modalities. Particularly in anatomically complex regions like the spine, SPECT/CT can be helpful for some aspects by intro- ducing a metabolical dimension to the classical way of morphology-based diagnostic. The aim of the present review was to give an overview of the adoption of SPECT/CT in a clinical spine-focused setting.

关键词： SPECT The clinical rehabilitation of spine and spinal cord disorders detection and evaluation using SPECT/CT

Leaching of rare Earth elements from an Illinois basin coal source

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j.urnal of Rare Earths 2019年第3期37卷 312-321页

作者： X.Yang j.werner R.Q.Honaker Department of Mining Engineering University of Kentucky

The existence of rare earth elements(REEs) in coal sources at elevated concentrations has been the focus of several studies over the past decade. However, limited research has been conducted on methods to recover and refine the REEs. This paper reports the results of a detailed study into the potential of selectively recovering REEs in an Illinois basin coal source by leaching. Leaching characteristics are obtained for several segments obtained from a core sample as well as three different rej.ct materials collected at a coal processing plant. Using a 1.2 mol/L sulfuric acid solution at 75 ℃,over 60% REE recovery is achieved from the direct floor and an inner parting material as well as the coal-rich core segments that are pretreated by low-temperature plasma oxidation to obtain access to the microdispersed mineral matter. In the leachable parting material, fluorapatite is detected by XRD analysis,which is one of the more soluble phosphate minerals with a documented association with REEs. For the three plant rej.ct samples, the leaching recovery values obtained for the heavy REEs are higher than those obtained for the light REEs under the standard leaching conditions and when 0.1 mol/L(NH_4)_2SO_4 was used to extract REEs by an ion exchange mechanism. Thermal activation by roasting or chemical activation by pretreatment using 8 mol/L NaOH solution increases the total REE recovery with significantly higher gains obtained for the light REEs. Leaching kinetics are relatively fast within the first 2 h and then slow to provide relatively low overall recovery values under the standard test conditions for the coarse and fine rej.ct samples. However, significantly higher recovery values are realized when treating mixed-phase(middling) particles existing within the coarse rej.ct material.

关键词： Leaching Coal Thermal activation Chemical activation Rare earth elements

Digital holography and its application for microsystems inspection

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Optoelectronics Letters 2008年第1期4卷 72-77页

作者： werner j.ptner Christoph von Kopylow Claas Falldorf BIAS D-28359 BremenKlagenfurter Str.2Germany

A large number of applications in the before mentioned sense is reported in the literature. In this paper a special remark will be given to the application of 3D deformation measurements using only one illumination direction for the recording of the two holograms in the reference and the loaded state, and only one observation direction for the

关键词：微型系统检查数字全息技术全息光学三维变形测量

Adaptation to Fluctuating Neuronal Signal Traffic for Brain Connectivity

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Advances in Bioscience and Biotechnology 2023年第5期14卷 237-244页

作者： Gerhard werner Bernhard j. Mitterauer Department of Biomedical Engineering University of Texas Austin USA Voltronics-Institute for Basic Research Psychopathology and Brain Philosophy Salzburg Austria

Brain connectivity is commonly studied in terms of causal interaction or statistical dependency between brain regions. In this analysis paper, we draw attention to the constraining effect the dynamics of fiber tract connections may impose on neuronal signal traffic. We propose a model developed by Copelli and Kinouchi (l.c.) for a different purpose to safeguard signal transmission for brain connectivity by ensuring dynamic adaptation of signal reception to a wide frequency range of traffic flow over connecting fiber tracts. Gap j.nction connectivity would confer to neuronal groups the capacity of acting as collectives for dynamical adaptability to impinging neural traffic thereby forestalling traffic congestion and overload. It is suggested that applying this model to signal reception in brain connectivity would deliver the required functionality as a collective achievement of the interrelations between neurons and gap j.nctions, the latter regulated by glia.

关键词： Brain Connectivity White Matter Neuronal Groups Gap j.nctions

T cell receptor variable β20-1 harbors a nucleotide binding pocket in the CDR2β loop

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Open j.urnal of Immunology 2013年第3期3卷 165-174页

作者： Stephan Watkins werner j. Pichler Department of Rheumatology Clinical Immunology and Allergology Inselspital/University Hospital of Bern Bern Switzerland

Novel aspects of T cells containing TCRVβ20-1 are numerous, ranging from pathogen specific reactivity to specific tissue homing, or possible T cell subsets. Recently, it was demonstrated that TCR itself could become reactive by binding to small molecules free of the pHLA interface. Our work here was to identify a natural ligand binding to an identified pocket on the CDR2β loop of these TCR. Using docking of suspected ligands, we were able to show Guanine and Adenine diand tri-nucleotides readily bind to the identified site. Comparing these with small molecule sites found on other TCR types, we show this interaction is novel. With further molecular dynamic simulations, these sites are shown to be plausible by conducting simple computational based solubility tests as cross validation. Combined with simple proliferative responses, the identified nucleotides are also shown to have functional consequences by inducing T cell proliferation for CD4/Vβ20-1 + T cells, while failing to induce proliferation in other T cell isolates. Merging computational and simple cell assays, this work establishes a role of nucleotides in T cells found to contain this TCR subtype.

关键词： T Cell Receptor T Cell Receptor Variable Domain Adverse Drug Reactions Autoimmune Diseases