地方高校《化学信息学》课程改革的思考

《化学信息学》作为化学类专业的必修课程在大学化学教学中有着重要的意义。随着信息技术、计算机技术、网络技术的发展,随着教学对象和教学要求的不断变化,这门课程面临的挑战越来越大。本文从地方高校的实际出发,针对课程内容上存在的问题,在信息资源、计算机软件、计算机能力、学生就业多元化等四个方面进行思考,充分利用现有资源,发挥教师的主观能动性,提出相应的解决办法,通过课程教学实践,为课程的教学改革提出建议。

SPARCL1, Shp2, MSH2, E-cadherin, p53, ADCY-2 and MAPK are prognosis-related in colorectal cancer

AIM: To investigate the expression of markers that are correlated with the prognosis of colorectal cancer (CRC) patients. METHODS: One hundred and fifty-six CRC patientswere followed up for more than 3 years after radical surgery. Immunohistochemical (IHC) analysis was performed to detect the expression of 14 pathway-related markers (p53, APC, p21ras, E-cadherin, endothelin-B receptor, Shp2, ADCY-2, SPARCL1, neuroligin1, hsp27, mmp-9, MAPK, MSH2 and rho) in specimens from these patients. Bioinformatics analysis involving a Support Vector Machine (SVM) was used to determine the best prognostic model from combinations of these markers. RESULTS: Seven markers (SPARCL1, Shp2, MSH2, E-cadherin, p53, ADCY-2 and MAPK) were significantly related to the prognosis and clinical pathological features of the CRC patients (P < 0.05). Prognostic models were established through SVM from combinations of these 7 markers and proved able to differentiate patients with dissimilar survival, especially in stage Ⅱ/Ⅲ patients. According to the best prognostic model, the p53/SPARCL1 model, patients having high p53 and low SPARCL1 expression had about 50% lower 3-year survival than others (P < 0.001). CONCLUSION: SPARCL1, Shp2, MSH2, E-cadherin, p53, ADCY-2 and MAPK are potential prognostic markers in CRC. A p53/SPARCL1 bioinformatics model may be used as a supplement to tumor-nodes-metastasis staging.

Sharp Lower Bound of the Least Eigenvalue of Graphs with Given Diameter

The eigenvalues of graphs play an important role in the fields of quantum chemistry, physics, computer science, communication network, and information science. Particularly, they can be interpreted in some situations as the energy levels of an electron in a molecule or as the possible frequencies of the tone of a vibrating membrane. The diameter of a graph, the maximum distance between any two vertices of a graph, has great impact on the service quality of communication networks. So we were motivated to investigate the sharp lower bound of the least eigenvalue of graphs with given diameter. Let gn. d be the set of graphs on n vertices with diameter d. For any graph G ∈ gn, d, by considering the least eigenvalue of its connected spanning bipartite subgraph, we obtained the sharp lower bound of the least eigenvalue of graph G. Furthermore, an upper bound of Laplacian spectral radius of graph G was given.

Magnetic Effects in the Thermodynamics of Information

The authors have shown that the process data can be modeled on the basis of chemical thermodynamics. The authors offer general information of the equation in the presence of a magnetic field. As a result, studies have shown that the magnetic effects strongly influence the thermodynamics of information.

Ethnobotany, Pharmacology and Chemistry of Medicinal Orchids from Veracruz

Orchidaceae is a large family of 1,260 species in Mexico, of which 433 grow in the state of Veracruz, Mexico. Although economically important in horticulture because of the beauty of their flowers, researches have done little work regarding their medicinal properties. This paper aimed to present the results of ethnobotanical, pharmacological and active compounds research on Veracruz medicinal orchids. The ethnobotanical information was obtained by consulting the Atlas of the Mexican Traditional Medicine Plants, Veracruz Medicinal Flora Database （CITRO-UV project） and through field work in the Nahuatl community of Cuautlajapa, Veracruz. To obtain pharmacological and active compounds information of registered species, a search was carded out through MEDLINE （USA National Library of Medicine Journal Citation database）. Twelve medicinal orchids were recorded for Veracruz, i.e., Epidendrum chlorocorymbos Schltr., Habenaria floribunda Lindl., Isochillus latibracteatus A. Rich. ＆ Galeotti, lsochillus major Schltdl. ＆ Cham., Mormodes maculata var. unicolor （Hook.） L. O. Williams, Oestlundia luteorosea （A. Rich. ＆ Galeotti） W. E. Higgins, Oncidium ascendens Lindl., Scaphyglottis fasciculata Hook., Sobralia macrantha Lindl., Spiranthes eriophora （Rob. ＆ Greenm.）, Stanhopea oculata （G. Lodd.） Lindl. and Vanilla planifolia Andrews. Only two species have been investigated in terms of their pharmacology and active compounds. Also, information for another five species closely related to already identified ones was obtained. Given the relative poverty of current information on the topic, this paper demonstrates the need to further study the ethnobotanical, pharmacological and chemical aspects of the region＇s medicinal orchids.

Molecular cloning and transcriptional analysis of a NPY receptor-like in common Chinese cuttlefish Sepiella japonica

Neuropeptide Y(NPY) has a pivotal role in the regulation of many physiological processes. In this study, the gene encoding a NPY receptor-like from the common Chinese cuttlefish Sepiella japonica( SjNPYR-like) was identified and characterized. The full-length SjNPYR-like cDNA was cloned containing a 492-bp of 5′ untranslated region(UTR), 1 182 bp open reading frame(ORF) encoding a protein of 393 amino acid residues, and 228 bp of 3′ UTR. The putative protein was predicted to have a molecular weight of 45.54 kDa and an isoelectric point(pI) of 8.13. By informatic analyses, SjNPYR-like was identified as belonging to the class A G protein coupled receptor(GPCR) family(the rhodopsin-type). The amino acid sequence contained 12 potential phosphorylation sites and five predicted N-linked glycosylation sites. Multiple sequence alignment and 3D structure modeling were conducted to clarify SjNPYR bioinformatics characteristics. Phylogenetic analysis identifies it as an NPYR with identity of 33% to Lymnaea stagnalis NPFR. Transmembrane properties of SjNPYR-like were demonstrated in vitro using HEK293 cells and the p EGFP-N1 plasmid. Relative quantifi cation of SjNPYR-like mRNA level confi rmed a high level expression and broad distribution of SjNPYR-like in various tissues of female S. japonica. In addition, the transcriptional profile of SjNPYR-like in the brain, liver, and ovary during gonadal development was analyzed. The results provide basic understanding on the molecular characteristics of SjNPYR-like and its potentially physical functions.

Towards Understanding Paleosols in Southern Levantine Eolianites:Integration of Micromorphology,Environmental Magnetism and Mineralogy

The paper addresses the controversial question of the role of clay-sized dust in the formation of paleosols in coastal eolianites, Israel. At the Habonim type section, the pedocomplex dated by archaeology and luminescence to 45-135 ka ago shows at least three paleosols, not separated by non-soil sediments. The oldest reddish paleosol （apparently related to MIS 5） is magnetically enhanced, leached from carbonates, with signs of bioturbation and strongly aged clay coatings. The reddening is due to very fine, -20 nm, poorly crystallized, superparamagnetic （SP） hematite, as determined by Mossbauer studies. In subsoil, lithorelics of eolianite are found. Over time, the soil surface aggraded due to accelerated fine dust accumulation alongside local slope wash. On younger materials formed magnetically depleted vertisols, dominated by smectite-type expandable paramagnetic clays. In thin sections, vertisols exhibit strong stipple-speckled and striated b-fabric due to shrink-swell processes, impregnative calcite nodules and Fe-Mn redistribution. The uppermost hydric vertisol shows the strongest expression of juxtaposed features of recurrent calcite and Fe precipitation. This paleosol developed on colluvial soil materials, as evidenced by mixing of clay coated and uncoated grains of quartz and calcite allochems. M6ssbauer spectra show high amounts of Fe（III） incorporated in the clay structure, low amounts of SP goethite and absence of SP hematite. Whilst magnetic susceptibility drops in vertisols to minimal values, increase. The latter along ferrimagnetie grain sizes with differences in the hierarchy of microfabric features is taken as indication for lithologic discontinuities which may have resulted from continuous, albeit variable and low-intensity, input of eolian clay from both remote Saharan and local sources, roughly dated to the earlier to middle part of the Last Glacial.

Research and Practice of the P.E. Information Teaching Design System

In this paper, the physical education information teaching design system is researched and developed based on VB6.0 optimization platform. According to the national physical education and health course standards and the fundamental theories of the constructivisrn, the author adopts the modular-design development method to design two functional areas which are the displaying of the teaching design contents and the online information database （nine modules in total） on the basis of the P.E. teaching design flow. Importantly, this system features the compatibility, scalability and practical applicability, and can effectively improve the ability of P.E. teachers to design their teaching, and hence provides a guarantee for the improvement of teaching quality and efficiency.

The study of the influence of network resources on English Teaching under the background of informatization

As an international language, English plays an extremely important role, and it has become the lingua franca of the world. For a long time, inefficiency exists in teaching or learning. Under the learning environment surrounded by native speakers, English, as a symbolic system, appears dull, or even because there is no information given appropriate experience and it becomes abstract. Many students are reluctant to learn after learning for a time, because it is difficult for reality, and it is not easy to consolidate, that 45 minutes of English learning environment also appears to be a little frustrated, as many students who have been admitted to the University said during the learning process of the entire university, they spent seventy percent of their energy to foreign language learning rather than their own major. This not only illustrates the importance of English teaching but also shows its difficult nature, the main reason is our bad English language teaching environment, there is a lack of communication in English language environment, however, the network information and the development of modern multimedia technology has greatly improve the English teaching environment. How to use the Internet information and multimedia technologies to create English learning environment, to optimize English teaching methods and to improve the quality of English teaching.

Teaching Design on Digital Environment of Intelligence Learning

The practice and research on the establishment of digital course environment and the reform of learning way breaks through the integration of information technology and teaching courses. Digital course environment promotes the teaching interest and becomes the learning under the support of learning terminal, which must make students happy. The digitalization of teaching materials, platform of learning and learning according to requirements promotes the establishment of happy class. Establishment of learning environment is the basis of realizing the reform of learning and teaching ways. With the rapid development of information technology, intelligence learning is the necessary outcome of deep integration with education learning.

JClic Crosswords in Chemistry Class

Eight crosswords made in JClic were applied to twenty nine students from group 654, in area 2, at ENP （national preparatory school） No. 4 （a national public high school） in order to review Unit 2 and introduce the following Unit of Chemistry IV. Two surveys were applied in scholars in order to evaluate： the application of crosswords and of ICT （information and communications technology）. The results show that students like ICT because it is a relaxing mechanism to learn, JClic games were also liked by the majority due to the team work, so it induces to considerable learning.

On physical education of vocational high school students under the context of IT development

The integration of information technology and the continuous development of the information network make the college physical education degree of information technology constantly improving. College physical education is not only formed in the internal network, then sharing information resources and making sports teaching organization efficient as a whole, but communicate with the external network, formatting the Internet and producing significant changes in the teaching environment of college sports and sports teaching. College physical education is facing the reformation of better educated and digitization, virtualization, molecules, networking, agile and globalization. Physical education and sports teaching degree of information is closely related.

Explore the application of educational information in College English Teaching

With the development of information technology, it has become a hot topic in higher education sector that integrate IT with other disciplines in university and bring it into the classroom. This paper demonstrates the integration of information technology and interactive college English teaching aiming to improve the efficiency of classroom teaching and the quality of teaching so as to achieve the modernization of education and cultivate modem talents in a better way.

Education Equipment Configuration and Funding Situation Analysis of Underdeveloped Areas of Information Technology in Rural Primary and Secondary School

In order to understand IT teaching conditions and living environment in the less developed areas of rural primary and secondary school, the paper uses questionnaire survey equipment to investigate education of some rural underdeveloped areas of information technology in primary and secondary school in Jiangxi. And it has analyzed 2011-2013 investment and construction of the status quo in education funding for information technology equipment. The results show： Less Developed Areas in primary and secondary school education information and technology education equipment cannot meet the needs of the development of education with lack of funding support, poor school environment and information technology teaching conditions. And this phenomenon has been analyzed, and effective measures are to improve primary and secondary school education in underdeveloped areas of information technology conditions and educational level.

Cheminformatics analysis of the Chinese National Compound Library of Peking University

The Chinese National Compound Library of Peking University （PKU-CNCL） is a new high-throughput screening collection aimed at driving precompetitive drug discovery and target validation, and is one of satellite libraries of the Chinese National Compound Library （CNCL）. It is a chemical database containing binding, functional, and ADMET information for a large number of drug-like bioactive compounds. These data are manually abstracted from the primary literature on a regular basis, and further curated and standardized to maximize their quality and utility across a wide range of chemical biology and drug-discovery research problems. Currently, the database contains 54 000 bioactivity measurements for more than 100 000 compounds. Access, data downloads, and web services are available at： http：//www.pkucncl.cn.

Chemomics and drug innovation

Chemomics is an interdisciplinary study using approaches from chemoinformatics,bioinformatics,synthetic chemistry,and other related disciplines.Biological systems make natural products from endogenous small molecules (natural product building blocks) through a sequence of enzyme catalytic reactions.For each reaction,the natural product building blocks may contribute a group of atoms to the target natural product.We describe this group of atoms as a chemoyl.A chemome is the complete set of chemoyls in an organism.Chemomics studies chemomes and the principles of natural product syntheses and evolutions.Driven by survival and reproductive demands,biological systems have developed effective protocols to synthesize natural products in order to respond to environmental changes;this results in biological and chemical diversity.In recent years,it has been realized that one of the bottlenecks in drug discovery is the lack of chemical resources for drug screening.Chemomics may solve this problem by revealing the rules governing the creation of chemical diversity in biological systems,and by developing biomimetic synthesis approaches to make quasi natural product libraries for drug screening.This treatise introduces chemomics and outlines its contents and potential applications in the fields of drug innovation.

Rapid progress of DNA replication studies in Archaea,the third domain of life

Archaea,the third domain of life,are interesting organisms to study from the aspects of molecular and evolutionary biology.Archaeal cells have a unicellular ultrastructure without a nucleus,resembling bacterial cells,but the proteins involved in genetic information processing pathways,including DNA replication,transcription,and translation,share strong similarities with those of Eukaryota.Therefore,archaea provide useful model systems to understand the more complex mechanisms of genetic information processing in eukaryotic cells.Moreover,the hyperthermophilic archaea provide very stable proteins,which are especially useful for the isolation of replisomal multicomplexes,to analyze their structures and functions.This review focuses on the history,current status,and future directions of archaeal DNA replication studies.