نتایج جستجو برای: تصحیح gga u
تعداد نتایج: 172757 فیلتر نتایج به سال:
Golgi-localized gamma-ear homology domain, ADP-ribosylation factor (ARF)-binding proteins (GGAs) facilitate distinct steps of post-Golgi traffic. Human and yeast GGA proteins are only ~25% identical, but all GGA proteins have four similar domains based on function and sequence homology. GGA proteins are most conserved in the region that interacts with ARF proteins. To analyze the role of ARF in...
BACKGROUND Generalized granuloma annulare (GGA) is a benign skin disorder of an unknown etiology. Though some cases of GGA have been reported, few systemic reviews of the clinical and pathological features of GGA have been performed. OBJECTIVE The purpose of this study is to analyze and correlate the clinical and pathological characteristics of GGA in Korean patients. METHODS We conducted a...
In the last decade, computational studies of liquid water have mostly concentrated on ground-state properties. However, recent spectroscopic measurements have been used to infer the structure of water, and the interpretation of optical and x-ray spectra requires accurate theoretical models of excited electronic states, not only of the ground state. To this end, we investigate the electronic pro...
جهت انجام مطالعات نظری بر Li2FeSiO4،چهار پلیمورف شناخته شده از این ماده مورد بررسی‍های نظریه تابعی چگالی (DFT) قرار گرفتند. در ابتدا، روشهای متنوع DFT (GGA/+U، LSDA/+U) در چارچوب دو نوع شعاع اتمی مختلف برای مشهورترین پلیمورف (Pmn21) انجام شد. سپس، نتایج با دادههای آزمایشگاهی مقایسه شده و دقیقترین چارچوب/روشها انتخاب شده و سایر پلیمورفها با آنها بررسی شد...
We analyze the basic structural units of simple reconstructions of the (1 1 1) surface of SrTiO3 using density functional calculations. The prime focus is to answer three questions: what is the most appropriate functional to use; how accurate are the energies; what are the dominant low-energy structures and where do they lie on the surface phase diagram. Using test calculations of representativ...
Based on the Coulomb hybrid density functional with spin–orbit coupling (SOC) effect and generalized gradient approximation (GGA) + U method, structural, magnetic, electronic properties of PuAlO3 (Pnma Imma) have been studied. The value magnetic moment (μs) GGA method is maximum, SOC minimum, centered. phonon curve two phases ferromagnetic (FM) almost identical to that antiferromagnetic (AFM) s...
OBJECTIVE Geranylgeranylacetone (GGA) induces expression of heat shock protein 90 (Hsp90), an adaptor molecule for assembly of endothelial nitric oxide synthase (eNOS) phosphorylation complex. The purpose of this study was to determine whether GGA enhances Hsp90 expression and augments endothelium-dependent vasodilation via upregulation of eNOS in humans. METHODS AND RESULTS We evaluated the ...
We have carried out a detailed evaluation of the performance of all classes of density functional theory (DFT) for describing the potential energy surface (PES) of a wide range of nucleophilic substitution (SN2) reactions involving, amongst others, nucleophilic attack at carbon, nitrogen, silicon, and sulfur. In particular, we investigate the ability of the local density approximation (LDA), ge...
Mutant p53 proteins in human hepatoma cell lines such as HuH-7 (Y220C) and PLC/PRF/5 (R249S) accumulate in the cytoplasm, and lose their transcriptional function. Geranylgeranoic acid (GGA) is a naturally occurring acyclic diterpenoid that induces cell death in both cell lines, but not in HepG2 cells harboring wild-type p53. Here, we demonstrate that micromolar concentrations of GGA induce a ra...
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