Effect of temperature on the interactions between cellulose and lignin via molecular dynamics simulations

Cellulose - Heating is essential in various biomass pre-treatments and thermal conversion processes. It is of practical significance to study the characteristics of cellulose-lignin and...     

基于GA_XGBoost模型的大学生科研能力预测问题研究

科学评价大学生科研创新能力对我国科研水平的提高具有重要意义.采用机器学习模型来预测大学生科研能力可以起到良好的效果,提出一种GAXGBoost模型来实现对大学生的科研能力预测.此模型是以Xgboost算法为基础,然后充分利用遗传算法的全局搜索能力自动搜索Xgboost最优超参数,避免了人为经验调参不准确的缺陷,最后采用精英选择策略以此确保每一轮都是最佳的进化结果.通过分析表明,所采用的GAXGBoost模型在大学生科研能力预测的结果中具有很高的精度,将此模型与Logistic Regression、Random Forest、SVM等模型进行对比,GAXGBoost模型的预测精度最高.     

Visible light-driven acridone catalysis for atom transfer radical polymerization

Acridone as a new kind of visible light photocatalyst has been developed to catalyze metal free atom transfer radical polymerization (ATRP). The photocatalyst possess low excited state potential as can undergo an oxidative quenching pathway to initiate ATRP of vinyl monomers. Kinetic study and light on/off reaction demonstrate the “living”/controlled nature of the polymerization by light. Block copolymers can be achieved by using PMMA as macroinitiator to reinitiate polymerization of other vinyl monomers, which shows highly preserved Br chain-end functionality in the synthesized polymers. Moreover, the polymerization can be conducted under air atmosphere as most photocatalysts need anaerobic condition, which may give inspiration of further application of this kind of photocatalyst.     

Dynamic mechanism of epileptic seizures generation and propagation after ischemic stroke

Nonlinear Dynamics - Epilepsy is the second largest neurological disease which seriously threatens human life and health. The one important reason of inducing epileptic seizures is ischemic stroke...     

A New Approach to Develop a Standardized Method for Simultaneous Analysis of Astragaloside IV and Formononetin in Radix Astragali by High-Performance Thin-Layer Chromatography

JPC – Journal of Planar Chromatography – Modern TLC - A new high-performance thin-layer chromatographic (HPTLC) method has been developed for the simultaneous estimation of...     

Numerical simulation and structure optimization of a liquid–vapor separation plate condenser

Journal of Thermal Analysis and Calorimetry - Based on innovative design, a liquid–vapor separation plate condenser with excellent heat transfer performance is invented. It takes less time to...     

Multi-Interactions in Ionic Liquids for Natural Product Extraction

Natural products with a variety of pharmacological effects are important sources for commercial drugs, and it is very crucial to develop effective techniques to selectively extract and isolate bioactive natural components from the plants against the background of sustainable development. Ionic liquids (ILs) are a kind of designable material with unique physicochemical properties, including good thermal stability, negligible vapor pressure, good solvation ability, etc. ILs have already been used in pharmaceuticals for extraction, purification, drug delivery, etc. It has been reported that multi-interactions, like hydrogen bonding, hydrophobic interactions, play important roles in the extraction of bioactive components from the plants. In this review, recent progress in the understanding of scientific essence of hydrogen bonding, the special interaction, in ILs was summarized. The extraction of various natural products, one important area in pharmaceutical, by conventional and functional ILs as well as the specific roles of multi-interactions in this process were also reviewed. Moreover, problems existing in bioactive compound extraction by ILs and the future developing trends of this area are given, which might be helpful for scientists, especially beginners, in this field.     

Syntheses,Characterization, and Luminescence Properties of Three Coordination Complexes with Sulfonate-Phenol Anions and Trivalent Metal Ions

Russian Journal of General Chemistry - A dinuclear Tb complex, Tb2(H2L)3(phen)2 (1), and two similar N-donor coordination complexes, Fe(phen)3·HL (2), Fe(bipy)3·HL·5H2O (3) (Na2H2L =...     

化学法改性煤沥青脱除苯并芘的研究

在管式反应器中采用苯甲酸、聚乙二醇、固体古马隆树脂（S）、液体古马隆树脂（L）为添加剂来降低煤沥青中有害物质苯并芘的含量，以期使得煤沥青可绿色化应用。采用紫外-可见分光光度计分析煤沥青中苯并芘含量。考察了反应温度、反应时间、添加剂添加量、催化剂等工艺条件对添加剂脱除煤沥青中苯并芘的影响。结果表明，不同工艺条件能降低煤沥青中苯并芘的含量。在优化条件下，不同添加剂对苯并芘脱除率由高到低依次为：液体古马隆树脂、聚乙二醇、苯甲酸和固体古马隆树脂。分析其反应机理，这与催化剂的酸性相关，发生亲电取代反应。结果表明，液体古马隆树脂（L）在催化剂存在下对煤沥青中苯并芘脱除率可达73.0%，显示了良好的应用前景。