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Theoretical prediction,synthesis,and crystal structure determination of new MAX phase compound V2SnC

Journal of Advanced Ceramics 2020年第4期9卷 481-492页

作者： Qiang Xu Yanchun Zhou Haiming Zhang Anna Jiang Quanzheng Tao Jun Lu johanna rosén Yunhui niu Salvatore Grasso Chunfeng Hu Key Laboratory of Advanced Technologies of Materials Ministry of EducationSchool of Materials Science and EngineeringSouthwest Jiaotong UniversityChengdu610031China Science and Technology on Advanced Functional Composite Laboratory Aerospace Research Institute of Materials&Processing TechnologyBeijing100076China School of Mechanical Electronic and Control EngineeringBeijing Jiaotong UniversityBeijing100044China Thin Film Physics Division Department of PhysicsChemistryand Biology(IFM)Linköping UniversityLinköpingSE-58183Sweden State Key Laboratory of Environment-friendly Energy Materials Southwest University of Science and TechnologyMianyang621010China

Guided by the theoretical prediction,a new MAX phase V2SnC was synthesized experimentally for the first time by reaction of V,Sn,and C mixtures at 1000°*** chemical composition and crystal structure of this new compound were identified by the cross-check combination of first-principles calculations,X-ray diffraction(XRD),energy dispersive X-ray spectroscopy(EDS),and high resolution scanning transmission electron microscopy(HR-STEM).The stacking sequence of V2C and Sn layers results in a crystal structure of space group P63/*** a-and c-lattice parameters,which were determined by the Rietveld analysis of powder XRD pattern,are 0.2981(0)nm and 1.3470(6)nm,*** atomic positions are V at 4f(1/3,2/3,0.0776(5)),Sn at 2d(2/3,1/3,1/4),and C at 2a(0,0,0).A new set of XRD data of V2SnC was also *** calculations suggest that this new compound is stable with negative formation energy and formation enthalpy,satisfied Born-Huang criteria of mechanical stability,and positive phonon branches over the Brillouin *** also has low shear deformation resistance c44(second-order elastic constant,cij)and shear modulus(G),positive Cauchy pressure,and low Pugh’s ratio(G/B=0.500nism underpinning the quasi-ductility is associated with the presence of a metallic bond.

关键词： V2SnC new MAX phase compound crystal structure first-principles calculations

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Antioxidants,inflammation and cardiovascular disease

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World Journal of Cardiology 2014年第6期6卷 462-477页

作者： Harald Mangge Kathrin Becker Dietmar Fuchs johanna M Gostner Research Unit on Lifestyle and Inflammation associated Risk Biomarkers Clinical Institute of Medical and Chemical Laboratory DiagnosisMedical University of Graz8036 Grazand BioTechMed-GrazAustria Division of Biological Chemistry BiocenterInnsbruck Medical University6020 InnsbruckAustria Division of Medical Biochemistry BiocenterInnsbruck Medical University6020 InnsbruckAustria

Multiple factors are involved in the etiology of cardiovascular disease(CVD). Pathological changes occur in a variety of cell types long before symptoms become apparent and diagnosis is made. Dysregulation of physiological functions are associated with the activation of immune cells,leading to local and finally systemic inflammation that is characterized by production of high levels of reactive oxygen species(ros). Patients suffering from inflammatory diseases often present with diminished levels of antioxidants either due to insufficient dietary intake or,and even more likely,due to increased demand in situations of overwhelming ros production by activated immune effector cells like macrophages. Antioxidants are suggested to beneficially interfere with diseases-related oxidative stress,however the interplay of endogenous and exogenous antioxidants with the overall redox system is complex. Moreover,molecular mechanisms underlying oxidative stress in CVD are not fully elucidated. Metabolic dybalances are suggested to play a major role in disease onset and progression. Several central signalingpathways involved in the regulation of immunological,metabolic and endothelial function are regulated in a redox-sensitive manner. During cellular immune response,interferon γ-dependent pathways are activated such as tryptophan breakdown by the enzyme indoleamine 2,3-dioxygenase(IDO) in monocyte-derived macrophages,fibroblasts,endothelial and epithelial cells. neopterin,a marker of oxidative stress and immune activation is produced by GTP-cyclohydrolase Ⅰ in macrophages and dendritic cells. nitric oxide synthase(nOS) is induced in several cell types to generate nitric oxide(nO). nO,despite its low reactivity,is a potent antioxidant involved in the regulation of the vasomotor tone and of immunomodulatory signaling pathways. nO inhibits the expression and function of IDO. Function of nOS requires the cofactor tetrahydrobiopterin(BH4),which is produced in humans primarily by fibrob

关键词： Atherogenesis Cardiovascular disease neopterin nitric oxide Tetrahydrobiopterin Tryptophan Oxidative stress Homocysteine Vitamins Antioxidative therapy

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