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151.
A fully quantitative theory of the relationship between protein conformation and optical spectroscopy would facilitate deeper insights into biophysical and simulation studies of protein dynamics and folding. In contrast to intense bands in the far-ultraviolet, near-UV bands are much weaker and have been challenging to compute theoretically. We report some advances in the accuracy of calculations in the near-UV, which were realised through the consideration of the vibrational structure of the electronic transitions of aromatic side chains.  相似文献   
152.
Russian Journal of General Chemistry - The technical legal acts that regulate the quality and safety parameters of mineral waters out were analyzed. Seven samples of mineral waters produced in...  相似文献   
153.
Stozharov  V. M. 《Technical Physics》2020,65(7):1071-1075
Technical Physics - Glasslike dielectrics are investigated by methods of plasmon dispersion and asymmetry of the number of localized electrons in the region in which total external reflection of...  相似文献   
154.
Metabolomics is a potential tool for the discovery of new biomarkers in the early diagnosis of diseases. An ultra-fast gas chromatography system equipped to an electronic nose detector (FGC eNose) was used to identify the metabolomic profile of Volatile Organic Compounds (VOCs) in type 2 diabetes (T2D) urine from Mexican population. A cross-sectional, comparative, and clinical study with translational approach was performed. We recruited twenty T2D patients and twenty-one healthy subjects. Urine samples were taken and analyzed by FGC eNose. Eighty-eight compounds were identified through Kovats's indexes. A natural variation of 30% between the metabolites, expressed by study groups, was observed in Principal Component 1 and 2 with a significant difference (p < 0.001). The model, performed through a Canonical Analysis of Principal coordinated (CAP), allowed a correct classification of 84.6% between healthy and T2D patients, with a 15.4% error. The metabolites 2-propenal, 2-propanol, butane- 2,3-dione and 2-methylpropanal, were increased in patients with T2D, and they were strongly correlated with discrimination between clinically healthy people and T2D patients. This study identified metabolites in urine through FGC eNose that can be used as biomarkers in the identification of T2D patients. However, more studies are needed for its implementation in clinical practice.  相似文献   
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Galkina  E. G.  Zaspel  C. E.  Ivanov  B. A.  Kulagin  N. E.  Lerman  L. M. 《JETP Letters》2019,110(7):481-486
JETP Letters - The motion of domain walls in GdFeCo-type ferrimagnets near the point of compensation of sublattice spins s1 and s2, when the effects of the exchange increase in the limiting wall...  相似文献   
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Davidovich  M. V. 《JETP Letters》2019,109(7):472-477

The elastic moduli of bilayer graphene nanomeshes, i.e., nanomeshes of bilayer graphene, where layers at the edges of “closed” holes are coupled to each other by a continuous network of sp2-hybridized atoms, have been calculated by ab initio methods. Structures with different configurations of holes in layers with AA, AB, and 30° stackings have been studied. It has been shown that the ultimate tensile strength of the nanomeshes under consideration is higher than that of graphene nanostructures and is comparable with the ultimate tensile strength of bilayer graphene and single-layer carbon nanotubes. A possible application of such strong nanomeshes as nanocontainers for hydrogen storage and other compressed gases has been also discussed.

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