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| Registros recuperados: 601 | |
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| Xiaodong Pang; Linxiang Zhou; Lily Zhang; Lina Xu; Xinyi Zhang. |
| So far, we still lack a clear molecular mechanism to explain the protein-ligand interaction on the basis of electronic structure of a protein. By combining the calculation of the full electronic structure of a protein along with its hydrophobic pocket and the perturbation theory, we found out two rules on the protein-ligand interaction. One rule is the interaction only occurs between the lowest unoccupied molecular orbitals (LUMOs) of a protein and the highest occupied molecular orbital (HOMO) of its ligand, not between the HOMOs of a protein and the LUMO of its ligand. The other rule is only those residues or atoms located both on the LUMOs of a protein and in a surface pocket of a protein are activity residues or activity atoms of the protein and the... |
| Tipo: Manuscript |
Palavras-chave: Chemistry. |
| Ano: 2008 |
URL: http://precedings.nature.com/documents/2728/version/1 |
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| Bradly Alicea. |
| The transduction and processing of physical information is becoming important in a range of research fields, from the design of materials and virtual environments to the dynamics of cellular microenvironments. Previous approaches such as morphological computation/soft robotics, neuromechanics, and embodiment have provided valuable insight. This work approaches haptic, proprioception, and physical sensing as all part of the same subject. In this presentation, three design criteria for applying physical intelligence to engineering applications will be presented. These criteria have several properties in common, which inspires two types of end-effector model: stochastic (based on a spring) and deterministic (based on a piezomechanical array). The generalized... |
| Tipo: Presentation |
Palavras-chave: Biotechnology; Chemistry; Molecular Cell Biology; Neuroscience. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/5910/version/1 |
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| Folarin A. Erogbogbo. |
| Research is the cornerstone of invention, facilitator of innovation, and mother of discovery. Even though many students are competent in advancing through the class room and getting good grades, excellent research requires a different set of attitudinal and academic skills. This workshop, "Get the most out of your research" is an outstanding program developed from extensive time spent with brilliant scientists and a wide variety of mentored students. Familiarize yourself with the fine points of this workshop and arm yourself for a successful research career. |
| Tipo: Presentation |
Palavras-chave: Biotechnology; Cancer; Chemistry. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/5702/version/1 |
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| Sierra Rayne; Kaya Forest. |
| Calculations were conducted at the G4MP2 and G4 composite method levels of theory on the 35 potential carbon, nitrogen, silicon, and phosphorus tetrahedrane derivatives with the general form C~a~N~b~Si~c~P~d~H~(4-b-d)~ (where a+b+c+d=4). At both levels of theory, optimized electronic ground state neutral singlet gas phase (298.15 K, 1 atm) geometries were obtained for 24 of the 35 possible C/N/Si/P tetrahedrane derivatives. Corresponding enthalpies of formation were calculated using the atomization method. Triplet state neutral tetrahedron starting geometries for all compounds either resulted in cage opening or failed to converge. Only 9 cationic and 3 anionic forms converged to stable geometries that retained the tetrahedron cage and were absent imaginary... |
| Tipo: Manuscript |
Palavras-chave: Chemistry. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/6299/version/1 |
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| Kei-ichi K. Shimazaki; Tatsuya T. Kushida; Koji K. Yamauchi; Toshihisa T. Takagi. |
| Lactoferrin is a metal-binding glycoprotein found in milk, blood and other exocrine secretions. This is a multi-functional protein that exhibits many activities such as: anti-microbial, anti-viral, immunomodulatory, anti-inflammatory, anti-tumor, anti-metastatic, cell growth-promoting, and anti-oxidant activities, as well as regulation of granulopoiesis and iron absorption, etc. To date, a number of academic reports concerning the biological activities of lactoferrin have been published and are easily accessible through public databases. In order to overcome the information overload associated with lactoferrin information, we have applied the text mining method to the accumulated lactoferrin literature. To this end, we used the information extraction... |
| Tipo: Poster |
Palavras-chave: Biotechnology; Chemistry. |
| Ano: 2010 |
URL: http://precedings.nature.com/documents/5100/version/1 |
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| DMR Sekhar; Y Dassin; Lutfi Momani; Abu Hamatteh. |
| Certain types of rock phosphates of sedimentary origin are applied to acidic soils as fertilizer directly. Recent research in India showed that high grade rock phosphate in fine size when used as a mix with organic manure works as efficiently as di-ammonium phosphate (DAP) in alkaline soils. The rock phosphate from Jhamarkotra, India (sedimentary origin), Egypt (sedimentary origin) and South Africa (volcanic origin) showed good agronomic efficiency when used as Phosphate Rich Organic Manure (PROM). Further PROM shows equal residual effect. The results of efficiency of PROM made using two grades (+ 24% P2O5 and 34% P2O5) of rock phosphate mineral from Jordan show that low grade rock phosphate slimes are as effective as high grade phosphate concentrate when... |
| Tipo: Manuscript |
Palavras-chave: Chemistry. |
| Ano: 2008 |
URL: http://precedings.nature.com/documents/2411/version/1 |
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| P Perumal. |
| The ejaculated semen consists of two major components viz. sperm cells (spermatozoa) and the fluid part obtained after centrifugation called seminal plasma. The spermatozoa originate from the semniferous tubule and are suspended in the seminal plasma. The seminal plasma is composed of secretions contributed by the testis, epididymis, seminal vesicles, ampullae, prostate and bulbourethral glands. About 60-80 % of the ejaculated semen of the bull originates from these sources. Seminal plasma is a highly complex biological fluid containing proteins, amino acids, enzymes, fructose and other carbohydrates, lipids, major minerals and trace elements. Seminal plasma proteins partly originates from the blood plasma by exudation through the lumen of the male genital... |
| Tipo: Presentation |
Palavras-chave: Chemistry. |
| Ano: 2012 |
URL: http://precedings.nature.com/documents/7001/version/1 |
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| Sierra Rayne; Kaya Forest. |
| Perfluoroalkyl carboxylates are contaminants whose environmental fate and toxicological effects are of broad interest within the academic, industrial, and governmental science and regulatory communities. In addition, coupled perfluoroalkyl and carboxylate moieties are often used in medicinal chemistry as part of the drug design process. However, to date there has been a notable absence of reliable acidity constant estimation programs for these compounds. Here we report that the ADME/Tox WEB method for in silico pKa value predictions is more accurate than the PM6, SPARC, and COSMOtherm methods for the longer chain perfluoroalkyl carboxylic acids, suggesting this may be a good general acidity constant estimation approach for these compounds. |
| Tipo: Manuscript |
Palavras-chave: Chemistry; Pharmacology; Earth & Environment. |
| Ano: 2009 |
URL: http://precedings.nature.com/documents/2936/version/1 |
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| Deepika Bhalla; Siddhartha S. Mukhopadhyay. |
| Eutrophication is a threat to quality of surface and ground water bodies (SWB) and to bio-diversity of the aquatic eco-system. One of the causes of P accumulation in SWB is its excess application as a fertilizer on agricultural lands. Phosphorus buffering also contributes to eutrophication and remains a major problem years after the release of P is brought under control. It could be discerned from many experiments conducted world over that addition of small amount of P can remove excess P from soils, provided the solution P is maintained in such a manner that productivity is sustained, and nano-P could possibly play a role in it. In such endeavours, P must be applied to soils in amount exact to the requirement of crop. Of course ecological cautions of use... |
| Tipo: Presentation |
Palavras-chave: Chemistry; Ecology; Earth & Environment. |
| Ano: 2009 |
URL: http://precedings.nature.com/documents/3763/version/1 |
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| P Perumal; S Selvaraju; A.K. Barik; D. N. Mohanty; Srinibas Das; P.C. Mishra. |
| The present study was aimed to assess the effect of pre-freeze addition of cysteine hydrochloride and glutathione (GSH) on post-thaw sperm functional parameters and field fertility. The experimental bulls aged 4 to 6 years were used for the present study. A total of 36 ejaculates, 6 ejaculates from each bull (n=6) were collected and divided in to three groups, group I (control), group II (5mM cysteine hydrochloride) and group III (5mM GSH). The extended semen samples were added with @5mM additives, filled in mini straw using automatic filling and sealing machine (IMV, France) and cryopreserved in liquid nitrogen. Post-freeze seminal traits were also recorded after thawing at 37oC for 30 seconds. Post thaw livability was significantly (p< 0.01)... |
| Tipo: Presentation |
Palavras-chave: Chemistry. |
| Ano: 2012 |
URL: http://precedings.nature.com/documents/7009/version/1 |
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| Janna Hastings; Paula de Matos; Marcus Ennis; Christoph Steinbeck. |
| *Background*
Appearing in a wide variety of contexts, biochemical 'small molecules' are a core element of biomedical data. Chemical ontologies, which provide stable identifiers and a shared vocabulary for use in referring to such biochemical small molecules, are crucial to enable the interoperation of such data. One such chemical ontology is ChEBI (Chemical Entities of Biological Interest), a candidate member ontology of the OBO Foundry. ChEBI is a publicly available, manually annotated database of chemical entities and contains around 18000 annotated entities as of the last release (May 2009). ChEBI provides stable unique identifiers for chemical entities; a controlled vocabulary in the form of recommended names (which... |
| Tipo: Poster |
Palavras-chave: Chemistry; Bioinformatics. |
| Ano: 2009 |
URL: http://precedings.nature.com/documents/3525/version/1 |
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| Lazhar Mhadhbi; Sara Pérez Fernandez; Diego Real Conde; Moncef Boumaiza; Ricardo Beiras. |
| Perfluorooctane sulfonate (PFOS) is a persistent organic pollutant whose potential toxicity is causing great concern. In the present study, we used two crustaceans (_Daphnia magna_, _Siriella armata_), echinoid embryos (_Paracentrotus lividus_) and turbot (_Scophthalmus maximus L._) embryos and larvae to investigate the acute toxicity of this compound. The marine species _S. armata_ exhibited greater sensitivity than the freshwater species _D. magna_. In the 48-h acute toxicity test the median lethal concentration was 10.96 mg/L for _S. armata_ and 87.46 mg/L for _D. magna_. In the 96h toxicity test, turbot showed the lowest EC50 (0.155 mgL-1), whilst the EC50 for _S. armata_ was 7.92 mgL-1 which was approximately three times lower than that for sea urchin... |
| Tipo: Poster |
Palavras-chave: Biotechnology; Chemistry; Ecology; Earth & Environment. |
| Ano: 2010 |
URL: http://precedings.nature.com/documents/4657/version/1 |
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| Xiaolong Wang; Deming Gou. |
| Synthetic oligonucleotides are contaminated with highly homologous failure sequences. Oligonucleotide synthesis is difficult to scale up because it requires expensive equipments, hazardous chemicals, and tedious purification process. Here we report a novel thermocyclic reaction, polymerase-endonuclease amplification reaction (PEAR), for the amplification of oligonucleotides. A target oligonucleotide and a tandem repeated antisense probe are subjected to repeated cycles of denaturing, annealing, elongation and cleaving, in which thermostable DNA polymerase elongation and strand slipping generate duplex tandem repeats, and thermostable endonuclease (PspGI) cleavage releases monomeric duplex oligonucleotides. Each round of PEAR achieves >100-fold... |
| Tipo: Manuscript |
Palavras-chave: Biotechnology; Chemistry; Pharmacology. |
| Ano: 2009 |
URL: http://precedings.nature.com/documents/3711/version/1 |
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| Registros recuperados: 601 | |
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