Catechin mediated green synthesis of Au nanoparticles: Experimental and theoretical approaches to the determination HOMO-LUMO energy gap and reactivity indexes for the (+)-epicatechin (2S, 3S)

This work suggests a green method for synthesizing Au nanoparticles (AuNPs) using the aqueous extract of Salix aegyptiaca extract. The mechanism of green synthesized AuNPs was examined by molecular electrostatic potential (MEP) calculations. AuNPs were characterized with different techniques such as Ultraviolet–visible spectroscopy (UV–vis), Fourier-transform infrared spectroscopy (FT-IR) spectroscopy, X-ray diffraction (XRD), and Transmission electron microscopy (TEM). Electrochemical investigation of modified glassy carbon electrode using AuNPs (AuNPs/GCE) shows that the electronic transmission rate between the modified electrode and [Fe (CN)₆]^3?/4? increased. Process of oxidation, energy gap, and chemical reactivity indexes of the (+)-epicatechin (2S,3S) were investigated using electrochemical techniques (cyclic voltammetry (CV) and differential pulse voltammetry (DPV) as well as UV–Visible spectroscopy and compared with quantum mechanical calculations. DPV and CV were used to obtain HOMO energies of the (+)-epicatechin (2S,3S), an optical energy gap was obtained from the UV–Vis spectroscopy. Frontier molecular orbitals analysis (FMO) and reactivity indexes such as chemical hardness (?), electrophilicity (?), electronic chemical potential (μ), electron acceptor power (?⁺), electron donor power (?^?) were determined with functional theory (DFT) calculations. In summary, the HOMO energy obtained from the experimental analyses (E_HOMO (from DPV) = -5.24 eV, and E_HOMO (from CV) = -5.28 eV) has a relative agreement with the HOMO energy calculated by B3LYP/6–31 g (d, p) including the solvent effect (water) (E_HOMO (from B3LYP) = -5.75 eV). Also, UV–Vis spectroscopy gives the bandgap energy equal to 4.31 eV, while the 4.13 eV is calculated by TD-DFT-b3lyp/6–31 + g(d).     

Two new acyclic diterpene-y-lactones from the leaves of Salix matsudana

Two new acyclic diterpene-(-lactones named hanliuine III (1) and hanliuine IV (2) were isolated from leaves of Salix matsudana (Chinese name "hanliu"). Their structures were deduced from spectral data.     

大黄柳中两种黄酮化合物的结构解析

利用聚酰胺色谱法及制备型高效液相色谱法从大黄柳叶中分离得到2种黄酮化合物。利用核磁共振谱、质谱、紫外光谱及红外光谱对化合物结构进行了分析和表征。结果表明：这两种化合物分别为木樨草素7-O-α-L-吡哺阿拉伯糖(1→6)β-D-吡哺葡萄糖苷(Ⅰ)和木樨草素7-O-β-D-吡哺木糖(1→6)β-D-吡哺葡萄糖苷(Ⅱ)。这2种化合物为首次从柳属植物中分得。     

Two New Acyclic Diterpene—γ—lactones from the Leaves of Salix matsudana

Two new acyclic diterpene-γ-lactones named hanliuine(Ⅲ） (1) and hanliunine IV(2) were isolated from leaves of Salix matsudana (Chinese name “hanliu”). Their structures were deduced from spectral data.     

大黄柳叶中新黄酮苷的结构鉴定

利用聚酰胺柱色谱法和制备型高效液相色谱法从柳属植物大黄柳叶中分离得到了一种新黄酮苷和两个已知黄酮化合物。利用核磁共振谱、质谱、紫外光谱、红外光谱对化合物结构进行了分析和表征。结果表明,新化合物为地奥亭7-O-β-D-吡喃木糖（1→6）β-D吡喃葡萄糖苷,为从自然界中首次发现的新黄酮苷类化合物。2种已知黄酮化合物为槲皮素3-O-芸香糖苷和槲皮素3-O-β-D-吡喃半乳糖苷。     

柠条、沙柳根与土及土与土界面摩擦特性

通过直剪试验研究了垂直荷载、土体干密度、土体含水率对柠条根-土界面、沙柳根-土界面以及土-土界面摩擦特性的影响.结果表明:柠条根-土界面、沙柳根-土界面与土-土界面的剪切特性相似,均服从莫尔-库仑理论;柠条根-土界面、沙柳根-土界面的摩擦系数随着土体干密度的增大而增大;土壤含水率对柠条根-土界面、沙柳根-土界面摩擦系数和黏聚力的影响与素土相同,三者的摩擦系数随含水率增加逐渐减小,而黏聚力随着含水率增大呈先增大后减少的变化.在自然生境下主要根系分布层,柠条、沙柳的根-土界面摩擦系数大于土-土界面,尽管根-土界面黏聚力小于土-土界面黏聚力,但是根-土界面的摩擦系数的增大仍使根-土界面抗剪强度大于土-土界面,说明根-土结合面抵抗位移的能力大于土-土界面;2种植物相比,柠条根系抵抗根-土分离的能力优于沙柳.     

Phenolic Compounds of Salix acutifolia Bark

Column chromatography over silica gel and polyamide was used to isolate 14 phenolic substances from bark of sharp-leaved willow (Salix acutifolia Willd.). These included naringenin, prunin, (-)-salipurposide, (+)-catechin, isosalipurposide, 6-coumarylisosalipurposide, isosalipurpol (flavonoids), triandrin, syringin (phenylpropanoids), and salicyl alcohol (saligenin) and its derivatives acylsaligenin, salicin, salicortin, and tremulacin. Nine of these were isolated for the first time from this species. They were identified using UV, IR, NMR, and mass spectra, chemical transformations, and comparison with authentic samples.     

Optimization of sulfamethazine sodium adsorption onto activated carbon-based Salix psammophila: investigation of adsorption behavior and mechanism

A study on the adsorption of sulfamethazine sodium (SMS) from aqueous solution onto the activated carbon (AC)-based Salix psammophila (SP) by phosphoric acid activation was conducted. The central composite design under response surface methodology was employed for the removal of SMS and the process parameters were optimized. Influence of adsorbent dose, initial concentration of SMS, contact time and solution pH on the adsorption capacity of AC was investigated. The optimum adsorption conditions were obtained using adsorbent dosage of 0.54?g/L, initial concentration of 322?mg/L, contact time of 8?hours, pH value of 4.04. Kinetic studies showed the adsorption followed a pseudo-second-order model and Elovich model. The experimental equilibrium data were fitted Koble-Corrigan model and Freundlich model well and the maximum monolayer adsorption capacity of AC calculated by Langmuir model was 338.58?mg/g at 25?°C. In addition, AC was characterized by the SEM–EDS, BET, FITR and point of zero charge (pH_pzc). The mechanisms of SMS sorption onto AC were explored. Desorption and regeneration tests were carried out to evaluate the feasibility of reusing the AC. This study indicated the AC prepared from SP was an excellent adsorbent with the low cost and high performance.     

Studies on Chemical Constituents of Salix Matsudana

Two new phytane‐type diterpene‐γ‐lactones named Hanliuin III ( 3 ) and Hanliuin IV ( 4 ), together with two previously reported diterpenes, six known flavonoids and five other known compounds were isolated from Salix matsudana. The structures of two new compounds were deduced from spectroscopic methods and 2D NMR techniques.