Third order optical nonlinearities characteristics of Disperse Red1 organic dye molecules inside of polymeric nanocapsules

Measuring nonlinear optical response of a specific material in a mixture, not only leads to investigate the behavior of a particular component in various circumstances, but also can be a way to select suitable combination and optimum concentration of additives and therefore obtaining the maximum nonlinear optical signals. In this work, by using dual-arm Z-scan technique, the nonlinear refractive index of Disperse Red1 (DR1) organic dye molecules inside the core of prepared polymeric nanocapsules was measured among various materials which prepared nanocapsules were made of them. Then the measured value was compared with nonlinear refractive index of DR1 solved in dichloromethane.     

Stability and cytotoxicity study of NiFe2O4 nanocomposites synthesized by co-precipitation and subsequent thermal annealing

In this article, NiFe₂O₄ nanoparticles (NPs) were prepared by co-precipitation method with subsequent thermal annealing leading to obtainment NPs with average sizes of 78 nm. Structure and magnetic analysis were performed by X-ray diffraction, transmission electron microscopy, Mössbauer spectroscopy and vibrating sample magnetometry techniques. Stability of NiFe₂O₄ NPs was evaluated in PBS solution during 20 days. The toxicity of prepared NPs was evaluated in vitro using different cancer cell lines: HeLa (cervical cancer cell), PC-3 (prostate cancer cell). Fibroblasts like cells of L929 obtained from subcutaneous adipose tissue of mouse were used as normal cells. Results indicate successful synthesis of NiFe₂O₄ NPs that exhibit low cytotoxicity in concentration range from 1 to 100 μg/ml. Presented physical and biological results indicate the possibility of application investigated magnetic nanoparticles in hyperthermia, targeted drug delivery, magnetic resonance imaging or cell separation.     

Sofosbuvir Selects for Drug-Resistant Amino Acid Variants in the Zika Virus RNA-Dependent RNA-Polymerase Complex In Vitro

The nucleotide analog sofosbuvir, licensed for the treatment of hepatitis C, recently revealed activity against the Zika virus (ZIKV) in vitro and in animal models. However, the ZIKV genetic barrier to sofosbuvir has not yet been characterized. In this study, in vitro selection experiments were performed in infected human hepatoma cell lines. Increasing drug pressure significantly delayed viral breakthrough (p = 0.029). A double mutant in the NS5 gene (V360L/V607I) emerged in 3 independent experiments at 40–80 µM sofosbuvir resulting in a 3.9 ± 0.9-fold half- maximal inhibitory concentration (IC₅₀) shift with respect to the wild type (WT) virus. A triple mutant (C269Y/V360L/V607I), detected in one experiment at 80 µM, conferred a 6.8-fold IC₅₀ shift with respect to the WT. Molecular dynamics simulations confirmed that the double mutant V360L/V607I impacts the binding mode of sofosbuvir, supporting its role in sofosbuvir resistance. Due to the distance from the catalytic site and to the lack of reliable structural data, the contribution of C269Y was not investigated in silico. By a combination of sequence analysis, phenotypic susceptibility testing, and molecular modeling, we characterized a double ZIKV NS5 mutant with decreased sofosbuvir susceptibility. These data add important information to the profile of sofosbuvir as a possible lead for anti-ZIKV drug development.     

Strength and dilatancy behaviors of deep sands in Shanghai with a focus on grain size and shape effect

With rapid development of infrastructures like tunnels and open excavations in Shanghai, investigations on deeper soils have become critically important. Most of the existing laboratory works were focused on the clayey strata up to Layer 6 in Shanghai, i.e. at depth of up to 40 m. In this paper, Layers 7, 9, and 11, which were mostly formed of sandy soils at depth of up to 150 m, were experimentally investigated with respect to physico-mechanical behaviors. The stress–strain behaviors were analyzed by the consolidated drained/undrained (CD/CU) triaxial tests under monotonic loading. One-dimensional (1D) oedometer tests were performed to investigate the consolidation properties of the sandy soils. Specimens were prepared at three different relative densities for each layer. Also, the micro-images and particle size analyzers were used to analyze the shape and size of the sand grains. The influences of grain size, density, and angularity on the stress–strain behaviors and compressibility were also studied. Compared to the other layers, Layer 11 had the smallest mean grain size (D₅₀), highest compressibility, and lowest shear strength. In contrast, Layer 9 had the largest mean grain size, lowest compressibility, and highest shear strength. Layer 7 was of intermediate mean grain size, exhibiting more compressibility and less shear strength than that of Layer 9. Also, the critical state parameters and maximum dilatancy rate of different layers were discussed.     

Methods and Applications of In Silico Aptamer Design and Modeling

Aptamers are nucleic acid analogues of antibodies with high affinity to different targets, such as cells, viruses, proteins, inorganic materials, and coenzymes. Empirical approaches allow the design of in vitro aptamers that bind particularly to a target molecule with high affinity and selectivity. Theoretical methods allow significant expansion of the possibilities of aptamer design. In this study, we review theoretical and joint theoretical-experimental studies dedicated to aptamer design and modeling. We consider aptamers with different targets, such as proteins, antibiotics, organophosphates, nucleobases, amino acids, and drugs. During nucleic acid modeling and in silico design, a full set of in silico methods can be applied, such as docking, molecular dynamics (MD), and statistical analysis. The typical modeling workflow starts with structure prediction. Then, docking of target and aptamer is performed. Next, MD simulations are performed, which allows for an evaluation of the stability of aptamer/ligand complexes and determination of the binding energies with higher accuracy. Then, aptamer/ligand interactions are analyzed, and mutations of studied aptamers made. Subsequently, the whole procedure of molecular modeling can be reiterated. Thus, the interactions between aptamers and their ligands are complex and difficult to understand using only experimental approaches. Docking and MD are irreplaceable when aptamers are studied in silico.     

土壤中石油污染物的脱附过程

文章中主要采用有机溶剂萃取法（OSE）对高浓度石油污染土壤进行修复，经过精馏操作，有效回收原油，建立脱附等温曲线，研究了石油污染物在土壤-有机溶剂两相间的迁移规律。     

恢复邢台百泉泉水流量可行性研究

通过百泉泉区天然状态与超采状态下的水环境对比分析,并对岩溶水补给量和开采量进行计算,阐述恢复邢台百泉泉水流量的可行性,随着“引朱济邢”和“南水北调”供水工程的实施,邢台百泉水生态环境的恢复将变为现实。