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A Proposed Stereochemical Mechanism for the Improved Preparation of Maleic Anhydride Cycloadduct of CLA
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作者 jieyu he Jiashu Liao Junyan Qu 《Computational Chemistry》 2021年第3期144-160,共17页
The fatty acid derivatives, prepared from renewable natural oils, can be used as highly promising and potential substitutes for petrochemicals. The study of process improvement and stereochemical mechanism for prepari... The fatty acid derivatives, prepared from renewable natural oils, can be used as highly promising and potential substitutes for petrochemicals. The study of process improvement and stereochemical mechanism for preparing these derivatives would be beneficial for their industrial production. Conjugated linoleic acid (CLA) containing 9<em>cis</em>-11<em>trans</em> (9<em>c</em>, 11<em>t</em>) and 10<em>trans</em>-12<em>cis</em> (10<em>t</em>, 12<em>c</em>) isomers was prepared from <em>Salicornia herbacea</em> seed oil. Maleic anhydride cycloadduct of CLA (MAC) was prepared by an improved process, and it was characterized by FTIR, <sup>1</sup>H and <sup>13</sup>C NMR, <em>etc</em>. A new method to calculate conformers-ratio of CLA or MAC was also developed. Furthermore, the stereochemical mechanism for the improved preparation of MAC was proposed primarily by the calculation method above. The following observations were made: 1) The yield of MAC could reach as high as 96.7% under mild reaction conditions and with an easy and efficient product separation;2) The <em>trans-trans</em> CLA in the<em> s-cis</em> conformation acted as a predominant reactant to <em>Diels-Alder</em> [4 + 2] cycloaddition of maleic anhydride, which was the main reaction occurred simultaneously with catalytic configurational isomerizations of CLA in one step;3) From all studied CLA conformers, the most stable conformation was the s-trans conformation of trans-trans CLA, while the <em>s-cis</em> conformation of <em>trans-trans</em> CLA had the most favorable structural parameters for cyclohexenyl ring formation;4) Four MAC conformers derived from 9<em>c</em>, 11<em>t</em>- and 10<em>t</em>, 12c-CLA, were obtained as final main products that were determined to be <em>cis</em>-cycloadducts;5) The <em>endo/exo</em> ratios of the <em>cis</em>- cycloadducts derived from 9<em>c</em>, 11<em>t</em>- and 10<em>t</em>, 12<em>c</em>-CLA, were 2.14:1 and 1.99:1, respectively;and 6) The results obtained from the calculation method above were in excellent accordance with those from our experiments. 展开更多
关键词 Maleic Anhydride Cycloadducts Improved Preparation Conjugated Linoleic Acid Stereochemical Mechanism Conformers-Ratio Calculation Conformational Isomerization
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Diffusion Analysis and Modeling of Potassium Sorbate in Gelatin Based Antimicrobial Film
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作者 Hui Wang jieyu he Hongyuan Sun 《Journal of Materials Science and Chemical Engineering》 2016年第7期1-7,共7页
The diffusion of potassium sorbate incorporated into gelatin based antimicrobial film was measured. Fick’s second law was applied to investigate the mechanism of potassium sorbate released from the films. The mathema... The diffusion of potassium sorbate incorporated into gelatin based antimicrobial film was measured. Fick’s second law was applied to investigate the mechanism of potassium sorbate released from the films. The mathematical model was established. The result showed that the diffusion coefficient D increased with the increase of potassium sorbate concentration. The effects of temperature 5?C, 25?C and 35?C on diffusion were investigated. The mechanisms of potassium sorbate diffusion through gelatin films were mainly Fickian and determined by the power law model M<sub>t</sub>/M<sub>∞</sub> = k × t<sup>n</sup>. A decrease in temperature from 35?C to 5?C resulted in a reduction of diffusion coefficients from 5.20 × 10<sup>?</sup><sup>12</sup> to 1.36 × 10<sup>?12 </sup>m<sup>2</sup>/s. The diffusion coefficient of potassium sorbate is influenced by receiving solution pH values. 展开更多
关键词 Potassium Sorbate GELATIN DIFFUSIVITY Fick’s Mathematical Model
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A Novel Deep Hybrid Recommender System Based on Auto-encoder with Neural Collaborative Filtering 被引量:8
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作者 Yu Liu Shuai Wang +1 位作者 M.Shahrukh Khan jieyu he 《Big Data Mining and Analytics》 2018年第3期211-221,共11页
Due to the widespread availability of implicit feedback(e.g., clicks and purchases), some researchers have endeavored to design recommender systems based on implicit feedback. However, unlike explicit feedback,implici... Due to the widespread availability of implicit feedback(e.g., clicks and purchases), some researchers have endeavored to design recommender systems based on implicit feedback. However, unlike explicit feedback,implicit feedback cannot directly reflect user preferences. Therefore, although more challenging, it is also more practical to use implicit feedback for recommender systems. Traditional collaborative filtering methods such as matrix factorization, which regards user preferences as a linear combination of user and item latent vectors, have limited learning capacities and suffer from data sparsity and the cold-start problem. To tackle these problems,some authors have considered the integration of a deep neural network to learn user and item features with traditional collaborative filtering. However, there is as yet no research combining collaborative filtering and contentbased recommendation with deep learning. In this paper, we propose a novel deep hybrid recommender system framework based on auto-encoders(DHA-RS) by integrating user and item side information to construct a hybrid recommender system and enhance performance. DHA-RS combines stacked denoising auto-encoders with neural collaborative filtering, which corresponds to the process of learning user and item features from auxiliary information to predict user preferences. Experiments performed on the real-world dataset reveal that DHA-RS performs better than state-of-the-art methods. 展开更多
关键词 hybrid RECOMMENDER system NEURAL COLLABORATIVE filtering auto-encoder IMPLICIT feedback
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