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Phys Chem Chem Phys ; 19(19): 12480-12489, 2017 May 21.
Artigo em Inglês | MEDLINE | ID: mdl-28470283


Organic redox compounds have become the emerging electrode materials for rechargeable lithium ion batteries. The high electrochemical performance provides organic electrode materials with great opportunities to be applied in electric energy storage devices. Among the different types of organic materials, conjugated carbonyl compounds are the most promising type at present, because only they can simultaneously achieve, high energy density, high cycling stability, and high power density. In this research, a series of heteroatom substituted anthraquinone (AQ) derivatives were designed theoretically so that the high theoretical capacity of AQ remained. The discharge and charge mechanism as well as the thermodynamic and dynamic properties of AQ and its derivatives were investigated using first-principles density functional theory. Using heteroatom substitution, both the thermodynamic and dynamic properties of AQ as cathode materials could be largely improved. Among these conjugated carboxyl compounds, BDOZD and BDIOZD with a simultaneously high theoretical capacity and high working potential exhibit the largest energy density of about 780 W h kg-1, which is 41% larger than that of AQ. The PQD with the smallest value of λ gives the largest charge transfer rate constant, which is about four times as large as the prototype molecule, AQ. The most interesting finding is that the lithium ion transfer plays a very important role in influencing both the discharge potential and electrochemical charge transfer rate. The present study illustrates that theoretical calculations provide a highly effective way to discover potential materials for use with rechargeable lithium ion batteries.

Can J Microbiol ; 58(7): 848-55, 2012 Jul.
Artigo em Inglês | MEDLINE | ID: mdl-22702542


The skin glands of Ranidae are a rich source of antimicrobial peptides. In this study, the genomic RNA of Rana dybowskii was extracted from its skin while under Rana grylio virus stress. Five new cDNA sequences encoding 5 mature peptides, Ranatuerin-2YJ (GLMDIFKVAVNKLLAAGMNKPRCKAAHC), Dybowskin-YJb (IIPLPLGYFAKKP), Dybowskin-YJa (IIPLPLGYFAKKKKKKDPVPLDQ), Temperin-YJa (VLPLLETCSMTCWENNQTFGK), and Temperin-YJb (VLPLVGNLLNDLLGK), were obtained by reverse transcription polymerase chain reaction with a pair of degenerate primers designed according to the conserved terminal sequences of cDNA encoding antimicrobial peptide precursors of genus Rana. The antimicrobial activities of the peptides were analyzed, and the results demonstrated that all these peptides showed a significant anti-Rana grylio virus activity, and the virus was gradually cleared with the increase in gene expression. Among the 5 peptides obtained in this work, Ranatuerin-2YJ also showed a broad-spectrum anti-Gram-positive bacteria and anti-Gram-negative bacteria activity with a minimal inhibitory concentration of 22.5 µg/mL and 7.64% hemolysis activity, both of which were significantly lower (p < 0.05) than that of the other peptides. Moreover, Ranatuerin-2YJ was widely distributed in the skin, liver, spleen, and blood of R. dybowskii, while the other 4 peptides could only be cloned from the skin, indicating that the Ranatuerin-2YJ in vivo plays an important role in the protection against pathogen invasion.

Proteínas de Anfíbios/genética , Proteínas de Anfíbios/farmacologia , Peptídeos Catiônicos Antimicrobianos/genética , Peptídeos Catiônicos Antimicrobianos/farmacologia , Bactérias/efeitos dos fármacos , Regulação da Expressão Gênica , Ranidae/fisiologia , Proteínas de Anfíbios/metabolismo , Animais , Anti-Infecciosos/metabolismo , Anti-Infecciosos/farmacologia , Peptídeos Catiônicos Antimicrobianos/metabolismo , DNA Complementar/genética , DNA Complementar/metabolismo , Perfilação da Expressão Gênica , Hemólise/efeitos dos fármacos , Testes de Sensibilidade Microbiana , Dados de Sequência Molecular , Ranavirus/efeitos dos fármacos , Ranavirus/genética , Ranavirus/fisiologia , Ranidae/genética , Ranidae/virologia , Pele/metabolismo , Pele/virologia
J Clin Pathol ; 65(4): 309-14, 2012 Apr.
Artigo em Inglês | MEDLINE | ID: mdl-22267983


AIMS: Increased ß-oxidation of branched-chain fatty acids provides an additional metabolic advantage for cancer cells thereby enhancing tumour development and progression. Alpha-methylacyl coenzyme A racemase (AMACR) is an enzyme essential for the catabolism of branched-chain fatty acids that allows their subsequent ß-oxidation and thus plays an important role in generating biological energy. However, the expression of AMACR has never been systemically investigated in gallbladder carcinoma. This study evaluated the expression status, associations with clinicopathological variables and prognostic implications of AMACR in a well-defined cohort of gallbladder carcinoma and confirmed their expression status in gallbladder carcinoma cells. METHODS: AMACR immunostaining was assessable in 89 cases on tissue microarrays of gallbladder carcinoma, and it was correlated with clinicopathological factors and patient survival. In three gallbladder carcinoma cell lines and one non-tumorigenic cholangiocyte, AMACR mRNA expression was measured by real-time reverse transcription PCR and the endogenous expression of AMACR protein was analysed by western blotting. RESULTS: AMACR overexpression was significantly associated with an advanced primary tumour status (p=0.027) and American Joint Committee on Cancer stage (p=0.027), an increased histological grade (p=0.002) and vascular invasion (p=0.017). Importantly, AMACR overexpression independently predicted worse disease-specific survival (p=0.0452, RR 1.887). Expression levels of AMACR mRNA and total protein in various cells were comparable. The abundance of AMACR expression increased in tumour cells and was even higher in the metastatic cell line. CONCLUSIONS: In primary gallbladder carcinoma, AMACR overexpression was correlated with important prognosticators and independently portended worse outcomes, highlighting the potential prognostic and therapeutic utility of AMACR in gallbladder carcinoma.

Biomarcadores Tumorais/metabolismo , Neoplasias da Vesícula Biliar/enzimologia , Vesícula Biliar/enzimologia , Racemases e Epimerases/metabolismo , Adulto , Idoso , Idoso de 80 Anos ou mais , Western Blotting , Feminino , Neoplasias da Vesícula Biliar/mortalidade , Humanos , Imuno-Histoquímica , Estimativa de Kaplan-Meier , Masculino , Pessoa de Meia-Idade , Prognóstico , Reação em Cadeia da Polimerase em Tempo Real , Células Tumorais Cultivadas
Zhongguo Zhong Yao Za Zhi ; 33(17): 2094-6, 2008 Sep.
Artigo em Chinês | MEDLINE | ID: mdl-19066048


Scientific data is the source of innovation in knowledge. In order to change the situation that there is few information in plenty of data and to obtain useful knowledge which has high information content, it is necessary to clean data and ensure data's accuracy and without noise off when database is established initially. High-quality data comes from high-quality data source. But incomplete and incorrect and irregular data exist widely in the data source of Chinese materia medica. The phenomenon of synonyms and homonym is quite serious, and there is no unified description for the name and origin of Chinese materia medica among different data sources. So data processing including data analysis and research is very important in the establishment of Chinese materia medica database. In order to get the most accurate and standard data, this paper analyzed the items of Medical Plants in Xiandai Bencao Gangmu, including classification analysis of medical plants: distribution analysis of different classes and analysis of medical part; analysis of synonyms and homonym; analysis of incorrect data and analysis of advantage and disadvantage of data sources.

Materia Medica/classificação , Plantas Medicinais/classificação , Obras Médicas de Referência , Terminologia como Assunto
Zhongguo Zhong Yao Za Zhi ; 33(19): 2291-3, 2008 Oct.
Artigo em Chinês | MEDLINE | ID: mdl-19166023


Correct data without noise is the basis for obtaining useful information and knowledge. The database system of Chinese materia medica is the application of database technology in the field of Chinese materia medica. Its establishment is based on the analysis, processing and supplementary of much irregular raw data during studying Chinese materia medica information. This paper reviewed several key problems in the data processing of Chinese materia medica based on the information system of Chinese herbal medicine that we are constructing.

Sistemas de Gerenciamento de Base de Dados , Medicina Tradicional Chinesa , Medicamentos de Ervas Chinesas