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1.
Samide Adriana Tutunaru Bogdan Merişanu Claudia Cioateră Nicoleta 《Journal of Thermal Analysis and Calorimetry》2020,142(5):1825-1834
Journal of Thermal Analysis and Calorimetry - To prepare a commercial product with economic and technical relevance, polyvinyl acetate (PVAc) was synthesized, under our laboratory conditions,... 相似文献
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Convolutional neural networks utilize a hierarchy of neural network layers. The statistical aspects of information concentration in successive layers can bring an insight into the feature abstraction process. We analyze the saliency maps of these layers from the perspective of semiotics, also known as the study of signs and sign-using behavior. In computational semiotics, this aggregation operation (known as superization) is accompanied by a decrease of spatial entropy: signs are aggregated into supersign. Using spatial entropy, we compute the information content of the saliency maps and study the superization processes which take place between successive layers of the network. In our experiments, we visualize the superization process and show how the obtained knowledge can be used to explain the neural decision model. In addition, we attempt to optimize the architecture of the neural model employing a semiotic greedy technique. To the extent of our knowledge, this is the first application of computational semiotics in the analysis and interpretation of deep neural networks. 相似文献
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Dr. Konstantin I. Galkin Bogdan Ya. Karlinskii Dr. Alexander Yu. Kostyukovich Dr. Evgeniy G. Gordeev Prof. Dr. Valentine P. Ananikov 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(39):8567-8571
This work reveals ambident nucleophilic reactivity of imidazolium cations towards carbonyl compounds at the C2 or C4 carbene centers depending on the steric properties of the substrates and reaction conditions. Such an adaptive behavior indicates the dynamic nature of organocatalysis proceeding via a covalent interaction of imidazolium carbenes with carbonyl substrates and can be explained by generation of the H-bonded ditopic carbanionic carbenes. 相似文献
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Tolkachev N. N. Koklin A. E. Laptinskaya T. V. Lunin V. V. Bogdan V. I. 《Russian Chemical Bulletin》2019,68(8):1613-1620
Russian Chemical Bulletin - Dynamic light scattering and size exclusion chromatography were used to investigate the size of sodium lignosulfonate particles in water—ethanol media and the... 相似文献
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Sidra Jabeen Zhe Zeng Mohammednoor Altarawneh Xiangpeng Gao Anam Saeed Bogdan Z. Dlugogorski 《国际化学动力学杂志》2019,51(9):696-710
This contribution investigates thermal decomposition of leucine, as a representative model compound for amino acids in algal biomass. We map out potential energy surface for a wide array of unimolecular and self-condensation reactions operating in the decomposition of leucine. Decarboxylation and dehydration of leucine ensues by eliminating CO2 and –OH, respectively, from the –COOH group attached to the α-carbon. The molecular channel for deamination involves cleavage of NH2 from α-carbon of leucine. The activation energies for direct elimination of CO2, NH3, and H2O from a leucine molecule lie within 20.7 kJ/mol of each other. Activation energies for these decomposition pathways reside below the bond dissociation enthalpy of H–C(α) of 323.1 kJ/mol. The decarboxylation, deamination, and dehydration pathways, via radical-prompted pathways, systematically require lower energy barriers, in reference to closed-shell reaction corridors. Detailed computations at the CBS-QB3 level provide the Arrhenius rate parameters for the unimolecular and bimolecular reactions, and standard enthalpies of formation, standard entropies, and heat capacities for all the products and intermediates. A kinetic analysis of gas-phase reactions, within the context of a plug-flow reactor model, accounts qualitatively for the formation of major products observed experimentally in the thermal degradation of the condensed-phase leucine. Among notable N-containing species, the model predicts the prevailing of NH3 over HCN and HNCO, in addition to corresponding appreciable concentrations of amines, imines, and nitriles. Our detailed kinetic investigation illustrates a negligible contribution of the self-condensation reactions of leucine in the gas phase. 相似文献
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Numerical Algorithms - In this note, we present two new algorithms for the Steinitz Exchange Lemma. They are grounded on a single application of a procedure (finding either a row echelon form or a... 相似文献