低压静电场辅助冷冻对竹笋品质的影响

为研究低压静电场辅助冷冻对竹笋冻结特性的影响，以冻结曲线、硬度、水分损失率、水分迁移、冰晶形态和组织微观结构为指标，探究低压静电场辅助冷冻（－35 ℃）和普通冷冻（－35 ℃）条件下竹笋品质的变化规律。结果表明：低压静电场辅助冷冻提高了冻结效率，改变了冰晶形态及分布，减轻了组织微观结构破损程度，改善了解冻汁液流失情况。与静电板间距10、20、30、40 cm处的冷冻竹笋解冻后水分损失率分别为14.16%、12.58%、9.73%、10.44%，显著低于对照组（21.01%）（P＜0.05），硬度分别为461.19、507.48、496.65 g和455.31 g，显著高于对照组（350.70 g）（P＜0.05）。低场核磁共振分析结果表明，在低压静电场辅助冷冻下竹笋解冻后汁液流失减少，扫描电子显微镜观察结果显示，竹笋纤维排列整齐，组织微观结构保持较好。低压静电场辅助冷冻可有效改善竹笋品质，可为利用低压静电场进行果蔬的冷冻贮藏和冷链运输提供参考。     

羟基(—OH)对煤自燃侧链活性基团氧化反应特性的影响

针对煤结构及其氧化反应机理不明等问题,以羟基(—OH)和煤自燃侧链活性基团—OCH,—CHOHCH 3和—OCH 3为研究对象,采用密度泛函理论(DFT)的B3LYP-311G(d,p)方法,构建出了羟基(—OH)处于侧链活性结构邻位的小分子结构模型。基于前线轨道理论和量子化学理论,采用Gaussian 16软件对小分子模型的静电势、前线轨道的能级和电荷分布及煤氧复合反应过程中的热力学参数进行了模拟计算,探究了侧链活性基团的低温氧化特性和羟基(—OH)对其的影响。计算结果显示,在侧链活性结构中,氢原子周边呈强正电势,为亲核反应活性位点,而氧原子附近呈强负电势,为亲电反应活性位点。当羟基(—OH)处于侧链活性基团邻位时,会削弱侧链活性基团的亲电反应能力,增加—CHO和—CHOHCH 3的亲核反应能力,而使—OCH 3的亲核反应能力消失;通过分析各活性基团最高占据轨道(HOMO:Highest Occupied Molecular Orbital)和最低未占轨道(LUMO:Lowest Unoccupied Molecular Orbital)可知,侧链活性基团的稳定性与其前线轨道的成键能力并不一致,而活性基团与氧气发生复合反应的难易程度主要取决于该基团前线轨道中LUMO的成键能力,成键能力越强,复合反应越容易发生;由于羟基(—OH)改变了侧链活性基团前线轨道上的电子特性,故当其与侧链基团共存时,会使—CHO和—CHOHCH 3与氧气的复合反应更容易发生,而使—OCH 3与氧气的复合由自发的放热反应转变为非自发的吸热反应。该研究成果可为揭示煤自燃微观作用机理和研发煤自燃新型高效阻化材料提供参考。     

Predictive association of metal–organic systems in the solid-state: the molecular electrostatic potential based approach

Designing crystalline solids with improved properties or performances remains a challenging task, despite great strides that have been made within the field of crystal engineering since its birth several decades ago. Herein, we are bringing examples that illustrate recent successes in taking supramolecular synthetic guidelines from the organic crystal engineering and adjusting those to metal-containing systems, particularly to the lower-dimensional ones. The versatility of calculated molecular electrostatic potential (MEP) as a new crystal engineering tool is demonstrated.     

Piezoelectricity in Monolayer Hexagonal Boron Nitride

2D hexagonal boron nitride (hBN) is a wide-bandgap van der Waals crystal with a unique combination of properties, including exceptional strength, large oxidation resistance at high temperatures, and optical functionalities. Furthermore, in recent years hBN crystals have become the material of choice for encapsulating other 2D crystals in a variety of technological applications, from optoelectronic and tunneling devices to composites. Monolayer hBN, which has no center of symmetry, is predicted to exhibit piezoelectric properties, yet experimental evidence is lacking. Here, by using electrostatic force microscopy, this effect is observed as a strain-induced change in the local electric field around bubbles and creases, in agreement with theoretical calculations. No piezoelectricity is found in bilayer and bulk hBN, where the center of symmetry is restored. These results add piezoelectricity to the known properties of monolayer hBN, which makes it a desirable candidate for novel electromechanical and stretchable optoelectronic devices, and pave a way to control the local electric field and carrier concentration in van der Waals heterostructures via strain. The experimental approach used here also shows a way to investigate the piezoelectric properties of other materials on the nanoscale by using electrostatic scanning probe techniques.     

离子液体的溶液热力学模型研究进展

离子液体是近年来发展起来的一种绿色介质，在化工反应和分离过程中具有广泛的应用前景。离子液体的溶液热力学性质和相平衡数据是其相关工艺过程设计的基础。本文从如下几个方面综述了离子液体溶液热力学模型的研究进展，即溶液热力学研究方法、溶液热力学模型的构建、离子液体的结构和分子间作用力、离子液体的溶液热力学模型及其在相平衡计算中的应用。重点分析了适用于离子液体溶液热力学性质计算的状态方程模型和过量Gibbs自由能模型或活度系数模型，离子液体的电解质和非电解质溶液模型，以及这些模型对ILs结构、氢键和静电作用的处理方法。分析了这些模型的优缺点，并对今后离子液体的溶液热力学研究提出了建议。     

Polyurethane/doxorubicin nanoparticles based on electrostatic interactions as pH‐sensitive drug delivery carriers

In order to obtain a pH‐sensitive delivery carrier for doxorubicin (DOX), DOX‐loaded polyurethane (PU·DOX) nanoparticles were readily prepared in water by electrostatic interactions between amphiphilic polyurethane with carboxyl pendent groups (PU‐COOH) and doxorubicin hydrochloride (DOX·HCl). The structures of the products obtained were characterized by Fourier transform infrared spectroscopy, ¹H NMR spectroscopy, gel permeation chromatography, UV–visible spectroscopy, dynamic light scattering and transmission electron microscopy. The average hydrodynamic size of the PU·DOX nanoparticles was around 182 nm with negative surface charge (?1.1 mV) and a spherical or rodlike shape. PU·DOX nanoparticles had a higher drug‐loading content of 14.1 wt%. The in vitro drug release properties of PU·DOX nanoparticles were investigated at pH 4.0, 5.0 and 7.4, respectively. PU·DOX nanoparticles exhibited a good pH‐sensitive drug release property, but there was almost no release of DOX from PU·DOX nanoparticles at pH 7.4. The in vitro cellular uptake assay and the Cell Counting Kit‐8 assay demonstrated that PU·DOX nanoparticles had a higher level of cellular internalization and higher inhibitory effects on the proliferation of human breast cancer (MCF‐7) cells than pure DOX. The enhancement of the inhibition effects resulted from increasing apoptosis‐inducing effects on MCF‐7 cells, which was related to the enhancement of Bax expression and the reduction of Bcl‐2 expression confirmed by terminal deoxynucleotidyl transferase mediated dUTP nick end labeling (TUNEL) assay, real‐time polymerase chain reaction (PCR) assay and western blot assay. © 2018 Society of Chemical Industry     

Supercharged Proteins and Polypeptides

Electrostatic interactions play a vital role in nature. Biomacromolecules such as proteins are orchestrated by electrostatics, among other intermolecular forces, to assemble and organize biochemistry. Natural proteins with a high net charge exist in a folded state or are unstructured and can be an inspiration for scientists to artificially supercharge other protein entities. Recent findings show that supercharging proteins allows for control of their properties such as temperature resistance and catalytic activity. One elegant method to transfer the favorable properties of supercharged proteins to other proteins is the fabrication of fusions. Genetically engineered, supercharged unstructured polypeptides (SUPs) are just one promising fusion tool. SUPs can also be complexed with artificial entities to yield thermotropic and lyotropic liquid crystals and liquids. These architectures represent novel bulk materials that are sensitive to external stimuli. Interestingly, SUPs undergo fluid–fluid phase separation to form coacervates. These coacervates can even be directly generated in living cells or can be combined with dissipative fiber assemblies that induce life-like features. Supercharged proteins and SUPs are developed into exciting classes of materials. Their synthesis, structures, and properties are summarized. Moreover, potential applications are highlighted and challenges are discussed.     

The vibration and pull-in mechanism of two coupled elastically restrained beams assembly subjected to electrostatic force

ABSTRACT

The novel model of the coupled beam-type electrodes with elastic roots, subjected to the AC and DC voltages is constructed. The exact critical pull-in voltage of the two coupled elastically restrained beams with size effect is presented. The analytical method of the general system subjected to the AC and DC voltages simultaneously is presented. The characteristic mechanism of coupled vibration is investigated.     

Effect of Moving Speed of Charged Metallic Spherical Electrode on Electrostatic Discharge

In this investigation, the nature of the electrostatic discharge (ESD) that occurs when a charged object moves toward a stationary grounded object is experimentally clarified. The spark lengths, discharge currents, and induced voltages in a magnetic probe were measured when a charged metallic spherical electrode connected to a 422 pF capacitor approached a stationary grounded object, which was the current target, for different moving speeds of the charged metallic spherical electrode in a range of 1 mm/s to 100 mm/s. The charge voltages of the capacitor were +6.5 kV and +10 kV. Based on the results, the average gap length shortened with the speed of the spherical electrode. The average peak values of the discharge current and the induced voltage were likely to increase with the speed of the spherical electrode. The average rise times of the discharge current and the induced voltage were likely to drop with the speed of the spherical electrode. The relation between the spark length and the discharge current due to the ESD can be explained qualitatively by using an equation derived from the spark resistance formula proposed by Rompe and Weizel.