氨基功能化磁性CoFe2O4/氧化石墨烯去除电镀废水中Cr(Ⅵ)的研究

使用改良的hummers法制备出的氧化石墨烯为载体,采用共沉淀法制备出磁性CoFe2O4/氧化石墨烯(MGO),再使用三乙烯四胺(TETA)对磁性CoFe2O4/氧化石墨烯进行氨基功能化,制备出氨基功能化磁性CoFe2O4/氧化石墨烯吸附剂.采用X-射线衍射仪(XRD)、傅里叶变换红外光谱仪(FT-IR)和扫描电子显微镜(SEM)对TETA-MGO的物相、化学组成和微观形貌进行表征,以TETA-MGO作为吸附剂去除电镀废水中Cr(Ⅵ),探讨吸附性能和吸附机理,分析TETA-MGO在外加磁场下的液固分离和再生吸附性能.结果表明纳米级立方尖晶石相磁性CoFe2O4均匀生长于氧化石墨烯的表面和片层之间,TETA通过C-N键与磁性氧化石墨烯(MGO)相连,氨基功能化成功,活性吸附位点增点.室温下,pH =2时吸附效果最佳,吸附120 min时达到吸附平衡,平衡吸附量约为48.66 mg·g-1,TETA-MGO对Cr(Ⅵ)的吸附动力学和吸附热力学可分别使用拟二级动力学模型和Langmuir等温吸附模型描述,吸附过程主要属于化学吸附控制的单分子层吸附,使用外加磁场可以对TETA-MGO实现简单的固液分离,TETA-MGO经过6次再生吸附后,对Cr(Ⅵ)的吸附量仅下降19.67;,说明具有良好的循环再生吸附能力.     

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.     

Theoretical Design of Biodegradable Phthalic Acid Ester Derivatives in Marine and Freshwater Environments

The biodegradability of phtalic acid esters in marine and freshwater environments was characterized by their binding free energy with corresponding degrading enzymes. According to comprehensive biodegradation effects weights, the binding free energy values were converted into dimensionless efficacy coefficient using ratio normalization method. Then, considering comprehensive dual biodegradation effects value and the structural parameters of PAEs in both marine and freshwater environments, a 3D-QSAR pharmacophore model was constructed, five PAE derivatives (DBP−COOH, DBP−CHO, DBP−OH, DINP−NH₂, and DINP−NO₂) were screened out based on their environmental friendliness, functionality and stability. The prediction of biodegradation effects on five PAE derivatives by biodegradation models in marine and freshwater environment increased by 15.90 %, 15.84 %, 27.21 %, 12.33 %, and 8.32 %, and 21.57 %, 15.21 %, 20.99 %, 15.10 %, and 9.74 %, respectively. By simulating the photodegradation path of the PAE derivative molecular, it was found that DBP−OH can generate ^.OH and provides free radicals for the photodegradation of microplastics in the environment.     

GZO/Al复合背电极对非晶硅太阳能电池的影响

随着能源紧缺与环境污染问题的日益严重,太阳能的开发利用越来越受到重视,其中非晶硅薄膜太阳能电池由于其制备工艺简单、价格低廉等优点被广泛地研究.为了使非晶硅薄膜太阳能电池得到更好地利用,提高其转换效率和稳定性显得尤为重要.引入复合背电极是提高非晶硅太阳能电池性能的有效手段,其中对GZO/Al复合背电极的研究还未见报道.在该工作中,利用磁控溅射法在非晶硅电池上制备了GZO/Al复合背电极,研究了复合背电极的制备条件及其对非晶硅太阳能电池性能的影响.结果显示,当GZO层的溅射功率为90 W、Al层的溅射功率为90 W时,具有复合背电极的太阳能电池表现出较好的光电转换性能,其短路电流(ISC)、开路电压(VOC)、填充因子(FF)和电池的光电转换效率(η)分别为8.92 mA、1.55 V、54.48;和7.53;.相较于单层Al背电极的太阳能电池,其光电转换效率大幅提高了47.6;(相对效率).     

Terahertz radiation from pentacene organic diode at room temperature

We investigate terahertz radiation(T-rays) from a pentacene organic diode at room temperature. The quantum chemistry calculation for frequency-related Huang–Rhys factor of pentacene is also carried out. The results demonstrate that the T-rays can come from a bending vibration of pentacene skeleton after the energy of pentacene exciton transferring to the vibrational excited state via electron–phonon coupling. Frequency and natural bond orbital analytics of pentacene and its derivatives are performed in order to explain the result and develop new materials to get higher emission. This work provides a new way to produce T-rays with a simple device at room temperature.     

NO分子宏观气体热力学性质的理论研究

采用量子统计系综理论,研究了基态NO分子宏观气体摩尔熵、摩尔内能、摩尔热容等热力学性质.首先应用课题组前期建立的变分代数法(variational algebraic method, VAM)计算获得了基态NO分子的完全振动能级,得到的VAM振动能级作为振动部分,结合欧拉-麦克劳林渐进展开公式的转动贡献,应用于经典的热力学与统计物理公式中,从而计算得到了1000-5000 K温度范围内NO宏观气体的摩尔内能、摩尔熵和摩尔热容.将不同方法计算得到的摩尔热容结果分别与实验值进行比较,结果表明基于VAM完全振动能级获得的结果优于其他方法获得的理论结果.振动部分采用谐振子模型对无限能级求和计算热力学性质的方法有一定的局限性,应当使用有限的完全振动能级进行统计求和.     

Hierarchical structure observation and nanoindentation size effect characterization for a limnetic shell

In the present research, hierarchical structure observation and mechanical property characterization for a type of biomaterial are carried out. The investigated biomaterial is Hyriopsis cumingii, a typical limnetic shell, which consists of two different structural layers, a prismatic "pillar"structure and a nacreous "brick and mortar" structure. The prismatic layer looks like a "pillar forest" with variationsection pillars sized on the order of several tens of microns.The nacreous material looks like a "brick wall" with bricks sized on the order of several microns. Both pillars and bricks are composed of nanoparticles. The mechanical properties of the hierarchical biomaterial are measured by using the nanoindentation test. Hardness and modulus are measured for both the nacre layer and the prismatic layer, respectively.The nanoindentation size effects for the hierarchical structural materials are investigated experimentally. The results show that the prismatic nanostructured material has a higher stiffness and hardness than the nacre nanostructured material.In addition, the nanoindentation size effects for the hierarchical structural materials are described theoretically, by using the trans-scale mechanics theory considering both strain gradient effect and the surface/interface effect. The modeling results are consistent with experimental ones.     

Selective Catalytic Isomerization of β-Pinene Oxide to Perillyl Alcohol Enhanced by Protic Tetraimidazolium Nitrate

A series of tetraimidazolium salts with different anions was prepared and applied in the isomerization of β-pinene oxide. After examining the activity of different catalysts, a remarkable enhancement of the selectivity of perillyl alcohol (47 %) was obtained over [PEimi][HNO₃]₄ under mild reaction conditions and using DMSO as the solvent. Furthermore, noncovalent interactions between solvent molecules and the catalyst were found by FT-IR spectroscopy and confirmed by computational chemistry. The homogeneous catalyst showed excellent stability and was reused up to six times without significant loss.     

Electrochemiluminescence Enhanced by the Synergetic Effect of Porphyrin and Multi-walled Carbon Nanotubes for Uric Acid Detection

The design and exploration of efficient, stable and environmentally compatible organic emitters for an electrochemiluminescence (ECL) sensor is a promising topic. Herein, a novel environmentally-friendly luminophore, ZnBCBTP@MWCNTs, were fabricated via self-assembly of porphyrin molecules (ZnBCBTP) onto multi-walled carbon nanotubes (MWCNTs). The resulting luminophore ZnBCBTP@MWCNTs displayed not only the highly ECL property and but also the good accelerated electron mobility. Then, a label-free ECL biosensor based ZnBCBTP@MWCNTs was constructed for the ultrasensitive detection of uric acid. Excitingly, this proposed ECL biosensor performed a good linear relationship in the range of 0–300 μM with a low detection limit of 1.4 μM, thus offering another reliable and feasible sensing platform for clinical bioanalysis with good selectivity, stability, and repeatability.