Properties of proton-rich nuclei in a three-body model

Using a three-body model and realistic two-body potentials, we investigate the properties of the nuclei ¹⁸Ne and ²⁸S near the proton dripline. We figure out the two-proton separation energies, occupation of the valence protons, root-mean-square radii of matter and the valence protons. Besides, the spatial correlation densities are displayed to reflect the correlation between the two valence protons. The first excited 0⁺ state of ¹⁸Ne is most likely to be a halo state according to our calculation. Turning off the Coulomb interactions among the three-body systems, we get the two-neutron separation energies and configuration of the valence neutrons of their corresponding mirror nuclei. The results indicate that the three-body model is proper to describe some proton-rich nuclei and can be used to deduce reliable information.     

Universal scaling of the elliptic flow data at RHIC

Recent PHOBOS measurements of the excitation function for the pseudo-rapidity dependence of the elliptic flow in Au + Au collisions at RHIC have posed a significant theoretical challenge. Here we show that these differential measurements, as well as the RHIC measurements on transverse momentum satisfy a universal scaling relation predicted by the Buda-Lund model, based on exact solutions of perfect fluid hydrodynamics. We also show that the recently found transverse kinetic energy scaling of the elliptic flow is a special case of this universal scaling.     

Crystal structure,spectroscopic characterization,DFT computations and molecular docking study of a synthesized Zn(II) complex

The Zn(II) complex, dichloro[N-hydroxy-1,1-di(2-pyridinyl)methanimine]zinc(II), was synthesized from the reaction between ZnCl₂ and di-2-pyridylketone oxime. The structural and spectral characterizations were performed by using single crystal X-ray diffraction, FT-IR, Laser-Raman, NMR and UV–Vis spectroscopic techniques. To support experimental evidences, computational results were obtained with the DFT/B3LYP method using the 6-311++G(d,p)+LanL2DZ mixed basis set. Theoretical analyses of some structural and spectroscopic results of effects of intermolecular Cl···H interactions in the crystal packing of the Zn(II) complex were investigated with the mentioned computational level. The non-bonding interactions in the experimental crystal packing of the complex were examined by Hirshfeld surface analysis. The HOMO and LUMO analyses were used for investigation of electronic transitions obtained with UV–Vis spectroscopy. NBO analyses were used to investigate the hyperconjugation interactions between donor and acceptor groups, coordination environment, electronic configuration and electron numbers of the Zn(II) metal ion and the natural atomic charges of the complex. The nucleophilic and electrophilic reactive sites of the complex were studied by MEP surface analysis. The static polarizabilities (α) and static hyperpolarizabilities (β) were analyzed theoretically to characterize NLO profile of the complex. The interaction with A-DNA (PDB ID: 1ZF6) of the Zn(II) complex was investigated with a molecular docking study.     

基于时序多光谱影像的干旱草原区开采扰动信息提取方法

露天开采会彻底改变原有土地利用景观格局，直接破坏当地生态环境，甚至会影响附近居民的生产和生活，因此越来越多的学者开始关注开采扰动。先前有关利用时序多光谱影像提取开采扰动的研究区集中于扰动形式单一的森林区。而我国露天煤矿大多集中于草原区，且我国东北部的草原矿区因其脆弱的生态环境以及其他多种扰动形式的存在，使得开采扰动识别更加困难。为明确我国东北部生态脆弱区草原露采场的开采扰动，以胜利矿区为例，利用1986年-2017年27期Landsat多光谱遥感影像，基于归一化植被指数NDVI（normalized difference vegetation index）的长时间序列轨迹变化特征（为了去除物候、云和阴影等对时序多光谱影像的影响，利用BISE-WT滤波器对原始NDVI时间序列进行滤波处理, 有效地去除时序NDVI数据中的噪声并同时保留有效信息），经过样本点训练，获得CV阈值（变异系数coefficient of variation）和Max阈值（植被阈值），构建CV-Max扰动识别模型，提取研究区的扰动分布。并利用植被阈值，分析NDVI时序轨迹，获得扰动年际信息，重构扰动历史地图；进而通过分析研究区典型地物的光谱特征，构建裸煤提取规则，以此来提取研究区的裸煤分布；最后通过构建裸煤及扰动区两者间的拓扑关系，进行空间拓扑叠置分析，从而获得开采扰动信息。经过精度验证，开采扰动的提取精度达到93.17%（Kappa系数=0.85），扰动年际信息提取精度达到83.35%（Kappa系数=0.81）。结果表明：在研究期间，空间上，开采扰动面积占研究区总面积的8.90%；时间上，开采扰动的发生集中于2000年-2009年，期间开采扰动像元占开采扰动总像元的76.70%；1988年-1998年矿区属于土地损毁初始期，2000年-2005年矿区属于土地损毁加速期，2006年-2009年矿区属于土地损毁高峰期，2010年-2017年开采扰动像元占比趋势比较平缓且持续处于较低水平，矿区土地损毁范围基本稳定。所提出的针对我国东北部生态脆弱性草原矿区，基于时序多光谱影像，利用植被指数NDVI和裸煤光谱特征提取开采扰动信息的方法是可行的，该研究结果可为干旱、半干旱草原露天矿区的可持续发展提供数据和理论方法支撑。     

“Smart” Polymers: Physicochemical Characteristics and Applications in Bio-Separation Strategies

In recent years, smart polymers (SPs), which are also referred to as bio-responsive polymers, have gained considerable attention as a unique class of polymers and their applications have been increasing significantly. These so-called “smart” polymers, either synthetic or biological, have been defined as “polymers designed to respond or undergo physical and structural conformational changes/rearrangement in response to slight changes in their surrounding environment”. They are categorized as thermo-, pH-, electro- and magneto-responsive polymers. The advances in upstream bio-production stages and the high cost associated with downstream chromatographic techniques have pushed the development of new alternatives. In this context, the use of SPs, in combination with non-chromatographic technologies, represents a useful approach to the development of new downstream operation units. With the key scientific advancements, SPs have become the “next generation” of the bio-separation tool for eco-friendlier and cost-effective purification. This review describes the different characteristics and classifications of various “smart” polymers available for use in bio-separation strategy. Focus is also given to the recent advances in SP inclusion in the improvement of alternative non-chromatographic methods in downstream bioprocessings.     

Photocatalytic degradation of methyl methacrylate copolymers

The photolytic and photocatalytic degradation of the copolymers poly(methyl methacrylate-co-butyl methacrylate) (MMA-BMA), poly(methyl methacrylate-co-ethyl acrylate) (MMA-EA) and poly(methyl methacrylate-co-methacrylic acid) (MMA-MAA) have been carried out in solution in the presence of solution combustion synthesized TiO₂ (CS TiO₂) and commercial Degussa P-25 TiO₂ (DP 25). The degradation rates of the copolymers were compared with the respective homopolymers. The copolymers and the homopolymers degraded randomly along the chain. The degradation rate was determined using continuous distribution kinetics. For all the polymers, CS TiO₂ exhibited superior photo-activity compared to the uncatalysed and DP 25 systems, owing to its high surface hydroxyl content and high specific surface area. The time evolution of the hydroxyl and hydroperoxide stretching vibration in the Fourier transform-infrared (FT-IR) spectra of the copolymers indicated that the degradation rate follows the order MMA-MAA > MMA-EA > MMA-BMA. The same order is observed for the rate coefficients of photocatalytic degradation. The photodegradation rate coefficients were compared with the activation energy of pyrolytic degradation. In degradation by pyrolysis, it was observed that MMA-BMA was the least stable followed by MMA-EA and MMA-MAA. The observed contrast in the order of thermal stability compared to the photo-stability of these copolymers was attributed to the two different mechanisms governing the scission of the polymer and the evolution of the products.     

Soret and Dufour aspect of viscoelastic fluid due to moving cylinder with viscous dissipation and convective boundary conditions

Owing to contribution of thermo-diffusion phenomenon in various engineering and industrial frame works, scientists have presented some exclusive investigations on this topic. In current research, the thermos-diffusion prospective of second grade material accounted by a moving cylinder have been predicted. The applications of Soret and Dufour effects based on the thermos-diffusion phenomenon is evaluated. The magnetic force and viscous dissipation effects are presented for the current flow model. Additionally, the improvement in thermal transport of viscoelastic fluid is suggested with radiative phenomenon. The convective boundary constraints are used to report the thermos-diffusion phenomenon. The system based on dimensionless form is obtained with interaction of new variables. The shooting technique is used for numerical observations by using MATLAB software. The physical impact of phenomenon in view of parameters is graphically attributed. It has been noted that increasing velocity profile is results due to curvature parameter and viscoelastic parameter. The enhancement in thermal profile is noted due to Dufour number and Eckert number.     

Synthesis and biological evaluation of novel 2,4,5-triaryl-1 H-pyrazol-3(2H)-ones as inhibitors of ALK5

A series of 2,4,5-triaryl substituted 1H-pyrazol-3(2H)-ones,as ALK5 inhibitors,were desigened,synthesized and evaluated in vitro.Most compounds exhibited noticeable ALK5 inhibition activities at 1 μmol/L and displayed no significant cytotoxicities at 30 μmol/L.     

神木半焦粉末萃取物的组成特征

依次用石油醚、CS₂、CH₂Cl₂、丙酮和甲醇在索氏萃取器中萃取了神木半焦粉末,得到了五级萃取物(E_1-5)和最终的萃余物,总萃取率为1.76%。分别用气相色谱/质谱联用仪(GC/MS)、大气压固体探针/飞行时间质谱仪(ASAP/TOF-MS)和电喷雾电离/飞行时间质谱仪(ESI/TOF-MS)分析了各级萃取物。用GC/MS分析的结果表明,在E₁中C_15-24的直链烷烃和E₂中3与4环的芳烃比较丰富,在E_3-5中含杂原子有机化合物较丰富,特别是E₄和E₅中含氧有机化合物的含量最高。与用GC/MS分析的结果相比,用ASAP/TOF-MS和ESI/TOF-MS从E_3-5中检测出更多的含杂原子有机化合物。     

Sequence‐based prediction of protein–peptide binding sites using support vector machine

Protein–peptide interactions are essential for all cellular processes including DNA repair, replication, gene‐expression, and metabolism. As most protein – peptide interactions are uncharacterized, it is cost effective to investigate them computationally as the first step. All existing approaches for predicting protein – peptide binding sites, however, are based on protein structures despite the fact that the structures for most proteins are not yet solved. This article proposes the first machine‐learning method called SPRINT to make Sequence‐based prediction of Protein – peptide Residue‐level Interactions. SPRINT yields a robust and consistent performance for 10‐fold cross validations and independent test. The most important feature is evolution‐generated sequence profiles. For the test set (1056 binding and non‐binding residues), it yields a Matthews’ Correlation Coefficient of 0.326 with a sensitivity of 64% and a specificity of 68%. This sequence‐based technique shows comparable or more accurate than structure‐based methods for peptide‐binding site prediction. SPRINT is available as an online server at: http://sparks-lab.org/ . © 2016 Wiley Periodicals, Inc.