Computational analysis for the determination of deleterious nsSNPs in human MTHFD1 gene

Single nucleotide polymorphisms (SNPs) are the most common genetic polymorphisms and play a major role in many inherited diseases. Methylenetetrahydrofolate dehydrogenase 1 (MTHFD1) is one of the enzymes involved in folate metabolism. In the present study, the functional and structural consequences of nsSNPs of human MTHFD1 gene was analyzed using various computational tools like SIFT, PolyPhen2, PANTHER, PROVEAN, SNAP2, nsSNPAnalyzer, PhD-SNP, SNPs&GO, I-Mutant, MuPro, ConSurf, InterPro, NCBI Conserved Domain Search tool, ModPred, SPARKS-X, RAMPAGE, FT Site and PyMol. Out of 327 nsSNPs form human MTHFD1 gene, total 45 SNPs were predicted as functionally most significant SNPs, among which 17 were highly conserved and functional, 17 were highly conserved and structural residues. Among 45 most significant SNPs, 15 were predicted to be involved in post translational modifications. The p.Gly165Arg may interfere in homodimer interface formation. The p.Asn439Lys and p.Asp445Asn may interfere in binding interactions of MTHFD1 protein with cesium cation and potassium. The two SNPs (p.Asp562Gly and p.Gly637Cys) might interfere in interactions of MTHFD1 with ligand.     

State-crossing from a Locally Excited to an Electron Transfer State(SLEET) Model Rationalizing the Aggregation-induced Emission Mechanism of (Bi)piperidylanthracenes

Luminogens with aggregation-induced emission(AIE)characteristics(or AIEgens)have been widely used in various applications due to their excellent luminescent properties in molecular aggregates and the solid state.A deep understanding of the AIE mechanism is critical for the rational development of AIEgens.In this work,the“state-crossing from a locally excited to an electron transfer state”(SLEET)model is employed to rationalize the AIE phenomenon of two(bi)piperidylanthracenes.According to the SLEET model,an electron transfer(ET)state is formed along with the rotation of the piperidyl group in the excited state of(bi)piperidylan-thracene monomers,leading to fluorescence quenching.In contrast,a bright state exists in the crystal and molecular aggregates of these compounds,as the intermolecular interactions restrict the formation of the dark ET state.This mechanistic understanding could inspire the deployment of the SLEET model in the rational designs of various functional AIEgens.     

Synthesis and performances for treating oily wastewater produced from polymer flooding of new demulsifiers based on polyoxyalkylated N,N‐dimethylethanolamine

Usually, oily wastewater produced from polymer flooding (OWPF) was treated by cationic polymer in oilfield. In this paper, six block copolymers of ethylene oxide and propylene oxide were prepared by using N,N‐dimethylethanolamine (DMEA) as the acceptor (DMEA‐mnp and DMEA‐mnpq, n:m:p:q represented the weight ratio of different blocks). Most of DMEA products could perform well for treating OWPF, especially DMEA1231. Their performances were mainly affected by temperature. The reason of increasing oil removal performance of DMEA1231 with temperature was the decrease of interfacial dilational modulus (ε) with increasing temperature. When temperature raised up to 55°C, the ε of DMEA1231 had the minimum (1.5 l mN/m). Therefore, the OiW had the minimum (90 mg/l). Because DMEA1231 had the best performance, its flocculation kinetics was studied systemically. The results showed that the optimum condition for DMEA1231 was as follows: dosage was 300 mg/l, temperature was 55°C, stirring speed was 200 rpm and stirring time was 5 min. At last, the offshore oil field test was carried out to check the DMEA1231 performance. The result showed that at the optimum condition, DMEA1231 could perform as well as the cationic polymer. The most important thing was that flocs of DMEA1231 were not viscous and floated on the surface of the water. The results obtained by this paper provide a good choice for the treatment of OWPF in offshore oilfield to avoid the formation of viscous flocs. Copyright © 2014 John Wiley & Sons, Ltd.     

评价矿井突水危险性的关键层方法

将煤层底板至含水层间承载能力最大的一层岩层看作起阻水作用的关键岩层（简称关键层），并把它简化为薄板，利用板的理论解确定该岩层的破断跨距，用以评价底板突水的危险性．实例分析表明，这种预测突水危险性的方法是简明有效的．     

Comparison of two-dimensional integration methods for shape reconstruction from gradient data

As a requisite and key step in some gradient-based measurement techniques, the reconstruction of the shape, more generally the scalar potential, from the measured gradient data has been studied for many years. In this work, three types of two-dimensional integration methods are compared under various conditions. The merits and drawbacks of each integration method are consequently revealed to provide suggestions in selection of a proper integration method for a particular application.     

Mammalian-specific genomic functions: Newly acquired traits generated by genomic imprinting and LTR retrotransposon-derived genes in mammals

Mammals, including human beings, have evolved a unique viviparous reproductive system and a highly developed central nervous system. How did these unique characteristics emerge in mammalian evolution, and what kinds of changes did occur in the mammalian genomes as evolution proceeded? A key conceptual term in approaching these issues is “mammalian-specific genomic functions”, a concept covering both mammalian-specific epigenetics and genetics. Genomic imprinting and LTR retrotransposon-derived genes are reviewed as the representative, mammalian-specific genomic functions that are essential not only for the current mammalian developmental system, but also mammalian evolution itself. First, the essential roles of genomic imprinting in mammalian development, especially related to viviparous reproduction via placental function, as well as the emergence of genomic imprinting in mammalian evolution, are discussed. Second, we introduce the novel concept of “mammalian-specific traits generated by mammalian-specific genes from LTR retrotransposons”, based on the finding that LTR retrotransposons served as a critical driving force in the mammalian evolution via generating mammalian-specific genes.     

C_2H_2分解爆轰的实验研究

在长30m,公称直径(Dg)分别为50、65、80和100mm的管道内,进行了C_2H_2分解爆轰实验。用O_2—C_2H_2爆轰波引爆C_2H_2,测量了管道内的爆轰压力,及在管道端面上的反射压力。与以前认为在管径500mm管道内不会出现自持的C_2H_2分解爆轰的意见相反,在这样的管道内也发生了C_2H_2分解炸轰。在管端测到了1700kg/cm~2的异常高压,并对数次异常高压的破坏威力作了记录。     

铜基/氧化锆催化剂的应用及改性研究进展

ZrO2具有弱酸碱性、氧化还原性、良好的热稳定性和机械强度,在催化领域得到广泛应用。以Zr O2为载体的铜基催化剂因其活性高,选择性好,性能稳定,受到越来越多的关注。本文介绍了Cu/Zr O2催化剂在醇类的水蒸气重整制氢、CO/CO2加氢合成低碳醇、二乙醇胺脱氢、乙醇直接合成乙酸乙酯和低温水煤气变换方面的应用。综述了添加不同助剂对Cu/Zr O2催化剂物化及催化性能的影响。     

Sulfonated polysulfone-preparative routes and applications in membranes used for pressure driven techniques

There is much enthusiasm now-a-days for efforts to improve membrane performances. Membrane modification is one of the critical approaches needed for the development of membrane science and technology. The beauty of research in this orientation is that it is a dynamic process that moves forward slowly and recommendations are made based on the science available. In this regard sulfonation of polysulfones is an excellent move. The present review demonstrates different sulfonation strategies of polysulfones as well as promoting applications in pressure driven separation sciences (viz. salt, macromolecule, organic separation from water). It shows that marked path is promising one.     

组合发电仪的制作

仪器应用生活中常见的材料,仅仅围绕物理学科知识,通过巧妙设计,组装出一系列发电机。旨在让学生明白各种发电机的工作原理,以及能量之间是如何相互转化的,培养学生节约能源,保护环境利用清洁能源的意识。此外本仪器制作简单,便于学生亲手制作,锻炼动手能力的同时,又可提高学习兴趣。