Quantum chemical study on the abstraction reaction of alkylidenegermylene with oxirane and thiirane

The mechanisms of theion reaction of alkylidenegermylene with oxirane and thiirane have been characterized detail in using density functional theory, as well as ab initio method, including geometry optimization and vibrational analysis for the involved stationary points on the potential energy surface. Energies were calculated by CCSD(T)/6-311G(d)//B3LYP/6-311G(d,p) method for the involved conformations. The results show that the reaction pathways for both reactions consist of two ways: (1) the reactants can yield bent products (P1; P4) by syn-isomers; (2) the reactants can also yield three-membered products (P2; P5) by anti-isomers, which then further react with oxirane and thiirane to form the ultimate products (P3-1, P3-2; P6). Furthermore, a comparison with alkylidenecarbene, oxirane, and thiirane was done.     

微波辅助快速制备核-壳型尿苷印迹聚合物及其在线富集应用研究

采用微波辅助加热,以尿苷为模板分子,丙烯酰胺(AA)为功能单体,乙二醇二甲基丙烯酸酯(EGDMA)为交联剂,快速制备尿苷印迹聚合物,聚合时间大大缩短,仅为传统加热的1/8.采用红外光谱和扫描电镜对印迹聚合物进行表征,结果表明二氧化硅表面成功包覆尿苷印迹壳层;该印迹聚合物颗粒分散均匀,印迹壳层厚度约为100 nm.将该印...     

One-pot synthesis of N-methylimidazolium-based porous polymer monolith for capillary electrochromatography via free radical copolymerization and quaterisation

One-pot synthesis of porous polymer monolith decorated with N-methylimidazolium in a capillary was described. The polymer matrix was synthesized by in situ copolymerization and quaterization of 3-chloro-2-hydroxylpropyl methacrylate (CHPMA), ethylene dimethacrylate (EDMA), and N-methylimidazole (N-MIz). The influencing factors including amount of cross-linkers, composition of porogenic solvents, and polymerization temperature on the formation of the monolithic column were investigated. The monolithic column exhibited high column efficiency for thiourea, up to 135 000 plates per meter, and phenylmethanol, up to 102 000 plates per meter. Different types of compounds including alkylbenzenes, phenols, and inorganic anions were successfully baseline separated by capillary electrochromatography (CEC). The separation of theses analytes on the column indicated typical reversed-phase and anion-exchange chromatographic retention mechanism.     

Rapid Sample Pretreatment,Identification and Determination of Active Constitutents in Water‐soluble Radix isatidis Extract via MAE,ESI‐MS and RODWs‐HPLC

In this study, we successfully studied water‐soluble extract from Radix isatidis. Optimized conditions of MAE were listed, the sample can be extracted completely in 10 minutes under microwave power of 400W and solid/liquid ratio of 1:80. Active compounds in water‐soluble extract from R. isatidis were identified with HPLC‐DAD/ESI‐MS, these compounds followed by cytidine, uridine, guanosine, (R,S)‐goitrin and adenosine. RODWs–HPLC as a new sensitive chromatography were also first proposed and investigated, we favoringly used this method for simultaneous determination of these active constitutents in water‐soluble R. isatidis extract. Chromatographic separation was performed on a Diamonsil C18 column (5 μm, 150 mm × 4.6 mm) with a mobile phase gradient consisting of methanol and water at a flow‐rate of 1.0 mL/min, detection wavelengths 240, 250, 260 and 270 nm, the retention times of the tested five compounds were about 4.2, 5.8, 11.1, 14.2 and 20.8 min respectively, the limits of detection were 15, 12, 20, 5.8 and 24 ng/mL for cytidine, uridine, guanosine, (R,S)‐goitrin and adenosine respectively, their linear ranges were between 0.045 and 350 μg/mL with correlation coefficient (R) of 0.9998‐0.9999. The relative standard deviations (RSDs) of intra‐day and inter‐day assays were 0.30‐2.36% and 0.86‐2.54% respectively. Extraction recoveries were 94.25‐106.21%. This novel analytical method was shown to be simple, low‐cost, sensitive and reliable for multiple components in complex or undeveloped materials via MAE, ESI‐MS and RODWs‐HPLC.     

电感耦合等离子体质谱(ICP-MS)法测定离子吸附型稀土矿中的浸出稀土元素

对浙江某地大量的离子吸附型稀土样品进行了稀土元素(Y,La,Ce,Pr,Nd,Sm,Eu,Gd,Tb,Dy,Ho,Er,Tm,Yb,Lu)的浸提和测定实验,实验对比了氯化铵和硫酸铵溶液对矿石中稀土元素的浸出性能,选择了杂质浸出较少的硫酸铵溶液作为浸出剂,对不同稀土含量的吸附型稀土矿进行了实验,浸出方法稳定,符合工业开采要求。实验了电感耦合等离子体质谱法测定浸出液中稀土元素分量的方法,浸出液经大比例稀释并酸化后测定,精密度较好,能满足离子吸附型稀土矿评价的质量要求,方法检出限(6σ)0.005~0.26μg/g,单元素测定精密度(n=6,RSD≤6.0%),浸出稀土元素总量测定RSD≤4.0%。实际样品的实验及测定结果满意。     

关于活性聚合判据的讨论

活性聚合尤其是活性聚合的判据是高分子化学课程中重要的教学内容。本文对活性聚合的判据进行了全面的总结,并深入分析了每种判据的来源,这些教学内容可作为现有教材的补充,有助于学生深刻理解活性聚合的内涵和外延。     

计算材料科学中桥域多尺度方法的若干进展

材料科学中存在固有的多尺度特性,桥域多尺度方法是在宏观尺度(如连续介质力学)中引入不同的细微观尺度的计算区域,乃至纳米尺度的分子动力学、量子力学计算区域,将不同尺度的研究方法通过一定的数学模型耦合在一起。该方法既能节约计算成本,又能保证所研究问题的物理特性。本文对多尺度方法的基本概念、跨尺度桥域多尺度方法的发展、基本原理、耦合方法和离散方程进行了讨论,给出了几个应用算例,并在最后进行了总结,展望了今后的可能发展方向。     

Comment on “Kirchhoff index in line,subdivision and total graphs of a regular graph”

Let G$G$ be a connected regular graph. Denoted by t(G)$t\left(G\right)$ and Kf(G)$Kf\left(G\right)$ the total graph and Kirchhoff index of G$G$, respectively. This paper is to point out that Theorem 3.7 and Corollary 3.8 from “Kirchhoff index in line, subdivision and total graphs of a regular graph” [X. Gao, Y.F. Luo, W.W. Liu, Kirchhoff index in line, subdivision and total graphs of a regular graph, Discrete Appl. Math. 160(2012) 560–565] are incorrect, since the conclusion of a lemma is essentially wrong. Moreover, we first show the Laplacian characteristic polynomial of t(G)$t\left(G\right)$, where G$G$ is a regular graph. Consequently, by using Kf(G)$Kf\left(G\right)$, we give an expression on Kf(t(G))$Kf\left(t\left(G\right)\right)$ and a lower bound on Kf(t(G))$Kf\left(t\left(G\right)\right)$ of a regular graph G$G$, which correct Theorem 3.7 and Corollary 3.8 in Gao et al. (2012)  [2].     

Fabrication of Sulfated Heterosaccharide/Poly (Vinyl Alcohol) Hydrogel Nanocomposite for Application as Wound Healing Dressing

Nowadays, natural polysaccharides-based hydrogels have achieved promising results as dressings to promote skin healing. In the present study, we prepared a novel hydrogel nanocomposite with poly(vinyl alcohol) (PVA) and sulfated heterosaccharide (UF), named UPH. The SEM results showed that the UPH had dense porous structures with a high porosity and a specific surface area. The UPH had a good swelling property, which can effectively adsorb exudate and keep the wound moist. The in vitro experiments results showed that the UPH was non-cytotoxic and could regulate the inflammatory response and promote the migration of fibroblasts significantly. The phenotypic, histochemistry, and Western blot analyses showed UPH treatment accelerated the wound healing and recovery of skin tissue at wound sites in a C57BL/6 mouse model. Furthermore, the UPH could promote the inflammation process to onset earlier and last shorter than that in a normal process. Given its migration-promoting ability and physicochemical properties, the UPH may provide an effective application for the treatment and management of skin wounds.     

Nonvolatile photorefractive holographic recording in Sc:Ce:Cu:LiNbO3

In this paper experimental studies of nonvolatile photorefractive holographic recording in Ce:Cu:LiNbO₃ crystals doped with Sc(0,1,2,3 mol%) were carried out. The Sc:Ce:Cu:LiNbO₃ crystals were grown by the Czochralski method and oxidized in Nb₂O₅ powders. The nonvolatile holographic recording in Sc:Ce:Cu:LiNbO₃ crystals was realized by the two-photon fixed method. We found that the recording time of Sc:Ce:Cu:LiNbO₃ crystal became shorter with the increase of Sc doping concentration, especially doping with Sc(3 mol%), which exceeds the so-called threshold, and there was little loss of nonvolatile diffraction efficiencies between Sc(3 mol%):Ce:Cu:LiNbO₃ and Ce:Cu:LiNbO₃ crystals.