Ph_3PAuX和Ph_3AsAuX(X=Cl,Br)的最低三重激发态(英文)

分子水平上的激发态理论研究能够用来解释分子材料的多色发光机理.采用单组态相互作用方法,计算研究了四种二配位的Au(I)配合物Ph3PAuCl,Ph3PAuBr,Ph3AsAuCl和Ph3AsAuBr的分子结构限制的三重激发态(T1a)和分子结构松弛的三重激发态(T1b)的分子结构与光物理性质.由于θ(PAuX)/θ(AsAuX)从180°扭曲到120°左右,T1b态的能量在单线态组态相互作用(CIS)水平上降低了0.805-1.124eV,在密度泛函理论(DFT)水平上降低了0.820-0.947eV.自然键轨道电荷布居数分析表明,在T1a态中两个单电子主要分布在一个苯基上,而在T1b态中两个单电子分布在PAuX/AsAuX上.因此,在晶体中观察到的较高能磷光归属于T1a态的苯基之间的3π*→1π电子跃迁,而较低能磷光主要起源于T1b态的Au的3σ*→1σ电子跃迁.

原子结构壳层模型的近似性

本文通过对波函数、原子能量、辐射跃迁等方面的讨论，分析了原子结构壳层模型的近似性。

Construction of recombinant eukaryotic expression plasmid containing murine CD40 ligand gene and its expression in H22 cells

AIM: To construct a recombinant murine CD40 ligand (mCD40L) eukaryotic expression vector for gene therapy and target therapy of hepatocellular carcinoma (HCC).METHODS: mCD40L cDNA was synthesized by RT-PCR with the specific primers and directly cloned into T vector to generate middle recombinant. After digestion with restriction endonuclease, the target fragment was subcloned into the multi-clone sites of the eukaryotic vector. The constructed vector was verified by enzyme digestion and sequencing,and the product expressed was detected by RT-PCR and immunofluorescence methods.RESULTS: The full-length mCD40L-cDNA was successfully cloned into the eukaryotic vector through electrophoresis,and mCD40L gene was integrated into the genome of infected H22 cells by RT-PCR. Murine CD40L antigen molecule was observed in the plasma of mCD40L-H22 by indirect immuno-fluorescence staining.CONCLUSION: The recombined mCD40L eukaryotic expression vector can be expressed in H22 cell line. It providesexperimental data for gene therapy and target therapy ofhepatocellular carcinoma.

EST-derived SNP discovery and selective pressure analysis in Pacific white shrimp(Litopenaeus vannamei)

Pacific white shrimp has become a major aquaculture and fishery species worldwide.Although a large scale EST resource has been publicly available since 2008,the data have not yet been widely used for SNP discovery or transcriptome-wide assessment of selective pressure.In this study,a set of 155 411 expressed sequence tags(ESTs) from the NCBI database were computationally analyzed and 17 225 single nucleotide polymorphisms(SNPs) were predicted,including 9 546 transitions,5 124 transversions and 2 481 indels.Among the 7 298 SNP substitutions located in functionally annotated contigs,58.4%(4 262) are non-synonymous SNPs capable of introducing amino acid mutations.Two hundred and fifty nonsynonymous SNPs in genes associated with economic traits have been identified as candidates for markers in selective breeding.Diversity estimates among the synonymous nucleotides were on average 3.49 times greater than those in non-synonymous,suggesting negative selection.Distribution of non-synonymous to synonymous substitutions(Ka/Ks) ratio ranges from 0 to 4.01,(average 0.42,median 0.26),suggesting that the majority of the affected genes are under purifying selection.Enrichment analysis identified multiple gene ontology categories under positive or negative selection.Categories involved in innate immune response and male gamete generation are rich in positively selected genes,which is similar to reports in Drosophila and primates.This work is the first transcriptome-wide assessment of selective pressure in a Penaeid shrimp species.The functionally annotated SNPs provide a valuable resource of potential molecular markers for selective breeding.

Predictive ability of genomic selection models for breeding value estimation on growth traits of Pacific white shrimp Litopenaeus vannamei

Genomic selection(GS)can be used to accelerate genetic improvement by shortening the selection interval.The successful application of GS depends largely on the accuracy of the prediction of genomic estimated breeding value(GEBV).This study is a fi rst attempt to understand the practicality of GS in Litopenaeus vannamei and aims to evaluate models for GS on growth traits.The performance of GS models in L.vannamei was evaluated in a population consisting of 205 individuals,which were genotyped for 6 359 single nucleotide polymorphism(SNP)markers by specifi c length amplifi ed fragment sequencing(SLAF-seq)and phenotyped for body length and body weight.Three GS models(RR-BLUP,Bayes A,and Bayesian LASSO)were used to obtain the GEBV,and their predictive ability was assessed by the reliability of the GEBV and the bias of the predicted phenotypes.The mean reliability of the GEBVs for body length and body weight predicted by the dif ferent models was 0.296 and 0.411,respectively.For each trait,the performances of the three models were very similar to each other with respect to predictability.The regression coeffi cients estimated by the three models were close to one,suggesting near to zero bias for the predictions.Therefore,when GS was applied in a L.vannamei population for the studied scenarios,all three models appeared practicable.Further analyses suggested that improved estimation of the genomic prediction could be realized by increasing the size of the training population as well as the density of SNPs.

Correlation of p53 over-expression and alteration in p53 gene detected by polymerase chain reaction-single strand conformation polymorphism in adenocarcinoma of gastric cancer patients from India

AIM： To study the alterations in p53 gene among Indian gastric cancer patients and to correlate them with the various clinicopathological parameters. METHODS： A total of 103 gastric cancer patients were included in this study. The p53 alterations were studied by both immunohistochemical method as well as polymerase chain reaction （PCR）-single strand conformation polymorphism （SSCP） analysis. We only studied four （exon 5, 6, 7, and 8） of the 11 ,p53 exons. The alterations in p53 were also correlated with respect to various clinicopathological parameters. RESULTS： Among 103 cases, p53 over-expression and alteration were detected in 37 （35.92%） and 19 （18.44%） cases, respectively. Most of the ,p53 alterations were found at exon 5 （31.54%）, followed by exon 6 （26.31%）, exon 7 （21.04%） and exon 8 （21.04%）. A significant correlation of p53 overexpression was found with p53 alteration （P = 0.000）. Concordance between ,p53 alteration （as detected by SSCP） and over-expression [as detected by immunohistochemistry （IHC）] was found in 75% cases. We found that IHC-positive/SSCP-negative cases accounted for 21% of cases and IHC-negative/SSCP- positive cases accounted for remaining 4% cases. CONCLUSION： Our results show that p53 gene mutations are significantly correlated with p53 protein over-expression, with 75% concordance in over-expression and alteration in the p53 gene, but 25% disconcordance also cautions against the assumption that p53 over-expression is always associated with a gene mutation. There may be other mechanisms responsible for stabilization and accumulation of p53 protein with no evidence of gene mutation that reflect an accumulation of a non-mutated protein, or a false negative SSCP result.

Single nucleotide polymorphisms in the CDH17 gene of colorectal carcinoma

AIM:To investigate the relationship between c.343A>G and c.2216A>C polymorphism sites in the CDH17 gene and colorectal carcinoma.METHODS:Ninety-three non-consanguineous colorectal carcinoma patients admitted to the Department of Oncology at the First Affiliated Hospital of Zhengzhou University were included in this study.Ninety-three peripheral venous blood samples,of approximately one milliliter from each patient,were collected betweenDecember 2009 and August 2010.The genomic DNA of these peripheral venous blood samples were extracted and purified using a Fermentas Genomic DNA Purification Kit(Fermentas,CA) according to the manufacturer' s protocol.The single nucleotide polymorphisms(SNPs) of the liver-intestine cadherin(CDH17) gene c.343A>G and c.2216A>C were determined by the polymerase chain reaction-single strand conformation polymorphism method(PCR-SSCP) in 93 peripheral venous blood samples from patients suffering with colorectal carcinoma.Typical samples that showed different migration bands in SSCP were confirmed by sequencing.Directed DNA sequencing was used to check the correctness of the genotype results from the PCR-SSCP method.RESULTS:There was a significant association between the c.2216 A>C SNPs of the CDH17 gene and the tumor-node-metastasis(TNM) grade,as well as with lymph node status,in 93 peripheral venous blood samples from colorectal carcinoma patients.The genotype frequencies of A/C,A/A,and C/C were 12.90%,33.33% and 53.76%,respectively.There was a significant correlation between lymph node metastasis,TNM grade,and the genotype distribution(P < 0.05).The C/C genotype raised the risk of lymph node metastasis and the TNM grade.There was a significant difference in the TNM grade and lymph node metastasis between the A/A and C/C genotypes(P = 0.003 and P = 0.013,respectively).Patients with colorectal carcinoma carrying the C allele tended to have a higher risk of lymph node metastasis and have a higher TNM grade.The difference between the TNM grades,as well as the lymph node metastasis of the two alleles,was statistically significant(P < 0.01).CONCLUSION:The SNPs of the CDH17 gene c.2216 A>C might be clinically important in the prognosis of colorectal carcinoma.

Some Dynamic and Combinatorial Properties of One Parameter Families of Unimodal Maps with Monotonicity

It is known that certain one parameter families of unimodal maps of the interval have a topological universality with regard to their dynamic behavior [ 1, 2]. As a parameter is smoothly increased, a fascinating variety of dynamic behaviors are produced. For some families the behaviors are monotonic in the parameter, while in others they are not [3]. The question is what sort of conditions on a one parameter family will ensure this monotonicity of the behavior with the parameter？ The answer is unknown and will not be given here. What we do instead is to investigate certain geometric-dynamic-combinatorial consequences of assuming that the family has this monotonicity. Specifically, using tools of symbolic dynamics, state space is ＂course grained＂ with a finite alphabet. We decompose a non-invertible map into nonlinear but invertible pieces. From these invertible pieces, we form inverse maps via composition along words. Equations of motion are developed for both forward and inverse orbits （in both the variables of state space and the parameter）, and an equation relating forward and inverse motions at fix-points is exhibited. Finally, we deduce a list of conditions, each of which is equivalent to monotone behavior. One of these conditions states that simple parity characteristics of words correspond to definite dynamics near fixed-points and vice versa.

A single nucleotide polymorphism in XRCC4 gene is associated with reduced colorectal cancer susceptibility in female

Objective： To investigate the association of XRCC4 polymorphic variants at G-1394T （rs6869366） with colorectal cancer susceptibility. Methods： In this hospital-based case-control study, the association of XRCC4 polymorphism with colorectal cancer risk in Chinese population was investigated. In total, 171 patients with colorectal cancer and 171 healthy individuals matched for age and gender were selected. The genomic DNAs of the patients and controls were extracted from peripheral blood and the 300 bp target DNA was amplified with Polymerase Chain Reaction. The products were then digested with restriction endonuclease HinclI, followed by agarose electrophoresis to identify the genotype. Results： We found a significant difference in the frequency of the XRCC4 G-1394T genotype between the colorectal cancer and control groups in female （1/127 vs 8/122, P〈0.05）. Those with G/T at XRCC4 G-1394T showed a decreased risk of colorectal cancer susceptibility compared with those with T/T （OR 0.113, 95%CI 0.014-0.932）. However, in overall population or in male, there was no significant difference of the distribution between the colorectal cancer and control groups. Conclusion： Our findings with decreased risk of colorectal cancer susceptibility suggested that the G allele of XRCC4 G-1394T were associated in female.

Mutational analysis of the PTEN gene in soft tissue sarcomas

Objective： This study was to investigate whether PTEN mutations play a role in the carcinogenesis of soft tissue sarcomas （STS）. Methods： Polymerase chain reaction-single strand conformation polymorphism （PCR-SSCP） was used to amplify 4 exons of PTEN and to analyze the conformation polymorphism, then DNA sequencing methods was used to detect point mutation of PTEN gene four exons of abnormal single strand conformation in soft tissue sarcomas. Results： Two of 86 cases showed 130th condon G→A missense mutation in the exon 8 of PTEN gene, and this mutation made Arg to change to Gin in PTEN protein structure 334th condon A→T missense mutation in the exon 8 of PTEN gene, and this mutation made Asn to change to Lys in PI-EN protein structure. Conclusion： These data indicated the existence of PTEN mutation in soft tissue sarcomas, but PTEN gene mutation rate is very low. PTEN mutation may prays an less important role in the development and malignant transformation of soft tissue sarcomas.

双电子复合过程的相对论理论研究 通道的变化特性

双电子复合是一种共振辐射复合过程,在这一过程中,一个具有特定能量的自由电子与电离度为q的离子A^(+q)碰撞,形成有两个电子激发的自电离态n_(?)l_(?)nl,该自电离态进一步发射光子,复合成A^(+(q-1))离子,一系列n(?)l_(?)nl自电离态(n_(?)l_(?)l固定,n从有限到无限变化)形成一个通道,本文在相对论单组态理论基础上,具体探讨了类氦铁离子(3s_(1/2)~nP_(1/2))J=(?)通道中,双电子复合速率随n的变化规律,根据本文得到的规律,可以很方便地计算任意离子的任意一个双电子复合过程.

Correlation analysis of gene polymorphisms and β-lactam allergy

A total of 64 patients with β-lactam allergy and 30 control subjects were enrolled in a case-control study. This study is aimed to analyze the relationship between β-lactam allergy and 10 single nucleotide polymorphisms（SNPs） in interleukin-10（IL-10）, IL-13, IL-4Rα, high-affinity immunoglobulin E-receptor β chain（FcεRIβ）, interferon γ receptor 2（IFNGR2）, and CYP3A4, and within the Han Chinese population of Northwest China. Genotyping for the SNPs was conducted using the Sequenom Mass ARRAY platform. SPSS 17.0 was employed to analyze the statistical data and SHEsis was used to perform the haplotype reconstruction and analyze linkage disequilibrium of SNPs of IL-10 and IL-13. The results showed that the genotype distribution of CYP3A4 rs2242480/CT differed significantly between case and control groups of males（P=0.022; odds ratio（OR）=0.167, 95% confidence interval（CI）： 0.032–0.867）. Further analysis showed that CCA, CCG, and TAA haplotypes of IL-10 had no significant correlation in patients with β-lactam allergy. The correlation between CCT and CAC haplotypes of IL-13 and β-lactam allergy needs to be further studied. The analysis did not reveal any differences in the distribution of others gene polymorphisms between cases and controls.

Identification of a combination of SNPs associated with Graves' disease using swarm intelligence

Graves' disease,the production of thyroid-stimulating hormone receptor-stimulating antibodies leading to hyperthyroidism,is one of the most common forms of human autoimmune disease.It is widely agreed that complex diseases are not controlled simply by an individual gene or DNA variation but by their combination.Single nucleotide polymorphisms(SNPs),which are the most common form of DNA variation,have great potential as a medical diagnostic tool.In this paper,the P-value is used as a SNP pre-selection criterion,and a wrapper algorithm with binary particle swarm optimization is used to find the rule for discriminating between affected and control subjects.We analyzed the association between combinations of SNPs and Graves' disease by investigating 108 SNPs in 384 cases and 652 controls.We evaluated our method by differentiating between cases and controls in a five-fold cross validation test,and it achieved a 72.9% prediction accuracy with a combination of 17 SNPs.The experimental results showed that SNPs,even those with a high P-value,have a greater effect on Graves' disease when acting in a combination.

SCANNING AND ANALYSIS OF MISMATCH DISTRIBUTION ON HUMAN GENOME

The mismatch distribution is a good descriptive summary statistic that describes the phenomena of population genetics. This article scanned mismatch distribution on human genome with single nucleotide polymorphism （SNP） data from the International HapMap Project. It is found that the abnormal mismatch distribution could imply some special segments on some chromosomes. One of the segments, on chromosome 8, was proved as an inversion. Other special segments may also imply some special structure on chromo- somes, such as duplication. The conjectures of other segments still need further research.