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1.
Svetlakova  A. V.  Mendez  M. Sanchez  Tuchin  E. S.  Khodan  A. N.  Traore  M.  Azouani  R.  Kanaev  A.  Tuchin  V. V. 《Optics and Spectroscopy》2021,129(8):846-850
Optics and Spectroscopy - We study the photocatalytic activity of nanocomposites based on θ-phase alumina (Al2O3) with different TiO2 concentrations for heterogeneous photocatalysis and...  相似文献   
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There are thousands of papers published every year investigating the properties and possible applications of ionic liquids. Industrial use of these exceptional fluids requires adequate understanding of their physical properties, in order to create the ionic liquid that will optimally suit the application. Computational property prediction arose from the urgent need to minimise the time and cost that would be required to experimentally test different combinations of ions. This review discusses the use of machine learning algorithms as property prediction tools for ionic liquids (either as standalone methods or in conjunction with molecular dynamics simulations), presents common problems of training datasets and proposes ways that could lead to more accurate and efficient models.

In this review article, the authors discuss the use of machine learning algorithms as tools for the prediction of physical and chemical properties of ionic liquids.  相似文献   
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Journal of Solid State Electrochemistry - In this work, the use of neodymium electrodes as a basis for the immobilization of magnetite nanoparticles has been carried out. The sensitivity and...  相似文献   
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Parkinson's disease is a neurodegenerative disorder involving a functional protein, α-synuclein, whose primary function is related to vesicle trafficking. However, α-synuclein is prone to form aggregates, and these inclusions, known as Lewy bodies, are the hallmark of Parkinson's disease. α-synuclein can alter its conformation and acquire aggregating capacity, forming aggregates containing β-sheets. This protein's pathogenic importance is based on its ability to form oligomers that impair synaptic transmission and neuronal function by increasing membrane permeability and altering homeostasis, generating a deleterious effect over cells. First, we establish that oligomers interfere with the mechanical properties of 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) membrane, as demonstrated by nanoindentation curves. In contrast, nanoindentation revealed that the α-synuclein monomer's presence leads to a much more resistant lipid bilayer. Moreover, the oligomers’ interaction with cell membranes can promote lactate dehydrogenase (LDH) release, suggesting the activation of cytotoxic events.  相似文献   
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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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Analytical and Bioanalytical Chemistry - Formaldehyde is often applied in the industrial production of different products, such as textiles, insulation materials, or cosmetics, due to its...  相似文献   
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We study the pointwise convergence problem for the inverse Fourier transform of piecewise smooth functions, i.e., whether SrD f (\bx) ? f (\bx)S_{\rho D} f (\bx) \to f (\bx) as r? ¥\rho \to \infty . r? ¥\rho \to \infty . Here for \bx,\bxi ? \Rn\bx,\bxi \in \Rn SrDf(\bmx)=\dsf1(2p)n/2\intlirD [^(f)](\bxi) e\dst iá\bmx,\bxi? d\bxi . S_{\rho D}f(\bm{x})=\dsf1{(2\pi)^{n/2}}\intli_{\rho D} \widehat{f}(\bxi) e^{\dst i\langle\bm{x},\bxi\rangle} d\bxi~. is the partial sum operator using a convex and open set DD containing the origin, and rD={ r\bxi:\bxi ? D }\rho D=\left\{ \rho \bxi:\bxi\in D \right\}.  相似文献   
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We investigate the dynamics of the Λ system driven by two resonant laser fields in presence of dissipation for coupling strengths where the rotating‐wave approximation starts to break down. This regime is characterised by Rabi frequencies being approximately equal or smaller than the field frequencies. A systematic procedure to obtain an expansion for the solution of the Bloch evolution equations of the system is presented. The lowest contribution results to be the well‐known rotating‐wave approximation. The method is based on a semi‐classical treatment of the problem, and its predictions are interpreted fully quantum mechanically. The theory is illustrated by a detailed study of the disappearance of coherent population trapping as the intensities of the fields increase.  相似文献   
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