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| Abhijeet Satwekar. |
| Transglutaminase (TGase) catalyzes an acyl transfer reaction between the [gamma]-carboxamide group of glutamine (Gln) and the [epsilon]-amino group of lysine (Lys) residues to form a stable amide bond. The TGase reaction can be used for bioconjugation of an amino-derivative of poly-ethylene glycol (PEG) to protein drugs, leading to PEGylated proteins that display increased bioactivity and stability. The procedure was shown to lead to site-specific bioconjugation of few proteins, thus offering a valid alternative to the chemical methods of PEGylation in current use (1). Moreover, TGase can be used for site-specifically labeling proteins with fluorescent groups at the level of Gln or Lys for diagnostic applications. The TGase attack is not entirely dependent... |
| Tipo: Poster |
Palavras-chave: Biotechnology; Chemistry. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/6000/version/1 |
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| Abhijeet Satwekar. |
| Commercially available recombinant protein drugs often cause immune reactions in the body which reduces their efficiency. Protein drugs can be PEGylated, (attachment of polyethylene glycol) to overcome this problem. PEGylation increases bioavailability by reduced immune reactions and decreased renal clearance [1]. So far the traditional approaches for PEGylation involve harsh reaction conditions which provide a heterogeneous product (PEG attached randomly to different sites) along with the formation of several byproducts. Due to heterogeneity, the PEGylated protein drug faces challenge for FDA approval. Therefore, there is an immense need to develop an approach which could generate a homogeneous PEGylated protein drug. 
The... |
| Tipo: Poster |
Palavras-chave: Biotechnology; Chemistry; Pharmacology. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/5671/version/1 |
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| Aditya Mittal. |
| Pattern generation and recognition in 3-D space have been of wide interest in fields varying from atomic and molecular structures to organization of celestial objects. Our thoughts towards investigating patterns (and elucidation of geometrical rules) followed by a known number of points with specific or specified coordinates are guided by the assumption/belief that there must be some thermodynamic and/or kinetic basis leading to the organization of coordinates of the known points. In terms of biomolecular structures, the DNA double helix is one of the strongest examples of such structures with coordinates of atoms in the phosphate backbone and the side-chains provide a helical geometrical configuration. It needs to be appreciated (and emphasized) that,... |
| Tipo: Presentation |
Palavras-chave: Biotechnology; Chemistry; Molecular Cell Biology; Bioinformatics; Evolutionary Biology. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/6038/version/1 |
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| Akhilesh V. Singh. |
| This study was undertaken to assess the potential of highly substitute acetylated sago starch (SS) to be used as a platform for controlled drug delivery. The acetylated sago starch was synthesized and the two parameters i.e. duration of reaction and temperature were optimized. FT-IR spectra showed the corresponding group attachment in the modified form. XRD pattern exhibits change in the physical nature i.e. from crystalline to amorphous. Swelling, hydration and viscosity value exhibits decrease in the respective values in comparison to its native form which is due a to decrease in its hydrophilic value. |
| Tipo: Manuscript |
Palavras-chave: Chemistry. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/5768/version/1 |
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| Alaaeldin Salih; Erich A. Müller. |
| This work employs molecular modeling to simulate both the equilibrium and kinetic behavior pertaining adsorption/desorption and permeation of carbon dioxide within the enhanced coal bed methane (ECBM) process and the corresponding CO~2~ sequestration processes in deep coal mines. The coal structure is modeled on the basis of a carbon, nanotubes, slit pores and more realistic “virtual” carbons. (from bottom up in the figure) The grand canonical Monte Carlo method is used to simulate the adsorption isotherms and isosteric heats of adsorption of the methane-carbon dioxide-water ternary mixture into the carbon structure, while Molecular Dynamics is applied to the same systems to study the competitive diffusion properties of these fluids... |
| Tipo: Presentation |
Palavras-chave: Chemistry; Earth & Environment. |
| Ano: 2008 |
URL: http://precedings.nature.com/documents/2625/version/1 |
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| Alexander G. Foigel. |
| The reaction rate enhancement that enzymes produce had not been fully appreciated. The object of the article is to present the mechanism of the enormous catalytic power of the enzymes. I conclude that during substrate conversion to product the enzyme transfers firstly some additional small reactant group that must be initially presented in the active site of the enzyme to bound substrate (i) ; the enzyme regenerates during second substrate group transfer (ii); the active enzyme acts as a reactant of the enzymatic reaction (iii). The detailed chemical mechanisms of enzymatic reactions, such as a the well-studied reaction of the serine proteases family, the peptide bond hydrolysis catalyzed by α-chymotrypsin, and the glyceraldehyde-3-phosphate... |
| Tipo: Manuscript |
Palavras-chave: Chemistry; Molecular Cell Biology. |
| Ano: 2008 |
URL: http://precedings.nature.com/documents/2406/version/1 |
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| Alexandru Todor; Adrian Paschke; Stephan Heineke. |
| Our Chemical e-Science Information Cloud (ChemCloud) – a Semantic Web based eScience infrastructure – integrates and automates a multitude of databases, tools and services in the domain of chemistry, pharmacy and bio-chemistry available at the Fachinformationszentrum Chemie (FIZ Chemie), at the Freie Universitaet Berlin (FUB), and on the public Web. Based on the approach of the W3C Linked Open Data initiative and the W3C Semantic Web technologies for ontologies and rules it semantically links and integrates knowledge from our W3C HCLS knowledge base hosted at the FUB, our multi-domain knowledge base DBpedia (Deutschland) implemented at FUB, which is extracted from Wikipedia (De) providing a public semantic resource for chemistry, and... |
| Tipo: Presentation |
Palavras-chave: Chemistry. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/5649/version/1 |
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| Alexandru Todor; Adrian Paschke; Stephan Heineke. |
| Our Chemical e-Science Information Cloud (ChemCloud) – a Semantic Web based eScience infrastructure – integrates and automates a multitude of databases, tools and services in the domain of chemistry, pharmacy and bio-chemistry available at the Fachinformationszentrum Chemie (FIZ Chemie), at the Freie Universitaet Berlin (FUB), and on the public Web. Based on the approach of the W3C Linked Open Data initiative and the W3C Semantic Web technologies for ontologies and rules it semantically links and integrates knowledge from our W3C HCLS knowledge base hosted at the FUB, our multi-domain knowledge base DBpedia (Deutschland) implemented at FUB, which is extracted from Wikipedia (De) providing a public semantic resource for chemistry, and... |
| Tipo: Manuscript |
Palavras-chave: Chemistry; Bioinformatics. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/5642/version/1 |
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| Alfonso Gautieri; Simone Vesentini; Alberto Redaelli; Markus J. Buehler. |
| Collagen constitutes one third of the human proteome, providing mechanical stability, elasticity and strength to connective tissues. Collagen is also the dominating material in the extracellular matrix (ECM) and is thus crucial for cell differentiation, growth and pathology. However, fundamental questions remain with respect to the origin of the unique mechanical properties of collagenous tissues, and in particular its stiffness, extensibility and nonlinear mechanical response. By using x-ray diffraction data of a collagen fibril reported by Orgel et al. (Proceedings of the National Academy of Sciences USA, 2006) in combination with protein structure identification methods, here we present an experimentally validated model of the nanomechanics of a... |
| Tipo: Manuscript |
Palavras-chave: Biotechnology; Chemistry; Bioinformatics. |
| Ano: 2010 |
URL: http://precedings.nature.com/documents/4995/version/1 |
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| Alfonso Gautieri; Simone Vesentini; Alberto Redaelli; Markus J. Buehler. |
| Collagen constitutes one third of the human proteome, providing mechanical stability, elasticity and strength to organisms and is thus the prime construction materials in biology. Collagen is also the dominating material in the extracellular matrix and its stiffness controls cell differentiation, growth and pathology. However, the origin of the unique mechanical properties of collagenous tissues, and in particular its stiffness, extensibility and nonlinear mechanical response remains unknown. By using x-ray diffraction data of a collagen fibril (Orgel et al., PNAS, 2006) here we present an experimentally validated model of the nanomechanics of a collagen microfibril that incorporates the full biochemical details of the amino acid sequence of constituting... |
| Tipo: Manuscript |
Palavras-chave: Biotechnology; Chemistry; Bioinformatics. |
| Ano: 2010 |
URL: http://precedings.nature.com/documents/4995/version/2 |
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| Andre Schlichting; Christel Baum; Dana Zimmer; Peter Leinweber. |
| Rhizodeposition plays an important role in the C and N cycle of ecosystems, since it essentially reflects the interaction between plant, soil and soil microorganisms. The molecular-chemical characterisation of rhizodeposition is often limited to selected compound classes (e.g., carbohydrates and amino acids). A more comprehensive analytical approach is based on the molecular-chemical “fingerprint” revealed by Pyrolysis-Field Ionisation Mass Spectrometry (Py-FIMS).

The presented results give evidence of specific effects in conjunction with soil type, crop, variety, transgenes and mycorrhizal colonisation on the molecular-chemical composition of rhizodeposition. The experiments included various crops... |
| Tipo: Poster |
Palavras-chave: Biotechnology; Chemistry; Plant Biology. |
| Ano: 2010 |
URL: http://precedings.nature.com/documents/4440/version/1 |
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| Andrea Nova; Sinan Keten; Nicola Pugno; Alberto Redaelli; Markus J. Buehler. |
| Spider silk is one of the strongest, most extensible and toughest biological materials known, exceeding the properties of many engineered materials including steel. Silks feature a hierarchical architecture where highly organized, densely H-bonded beta-sheet nanocrystals are arranged within a semi-amorphous protein matrix consisting of 31-helices and beta-turn protein structures. By using a bottom-up molecular-based mesoscale model that bridges the scales from Angstroms to hundreds of nanometers, here we show that the specific combination of a crystalline phase and a semi-amorphous matrix is crucial for the unique properties of silks. Specifically, our results reveal that the superior mechanical properties of spider silk can be explained solely by... |
| Tipo: Manuscript |
Palavras-chave: Chemistry; Bioinformatics; Earth & Environment. |
| Ano: 2010 |
URL: http://precedings.nature.com/documents/4336/version/1 |
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| Andreas Kukol. |
| Molecular dynamics (MD) simulations of biomolecules are performed at various levels of atomic detail from all-atom models to coarse grained models. United-atom models are at an intermediate level, in which non-polar hydrogen atoms are subsumed into their adjacent carbon-atom reducing the number of particles for a DPPC lipid molecule by 60%. United-atom models of the lipids DPPC, DMPC, POPC and POPG in the GROMOS96 53a6 force field were developed, that reproduced experimental properties of lipid bilayers without assumption of a constant surface area or inclusion of surface pressure. In the absence of experimental data a	surface	per lipid area for the negatively charged POPG of 0.700±0.007 nm2 was obtained	that is higher than... |
| Tipo: Poster |
Palavras-chave: Chemistry; Bioinformatics. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/5977/version/1 |
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| Andreas Kukol. |
| In order to exploit the advantages of receptor-based virtual screening, namely time/cost saving and specificity, it is important to rely on algorithms that predict a high number of active ligands at the top ranks of a small molecule database. Towards that goal consensus methods combining the results of several docking algorithms were developed and compared against the individual algorithms. Furthermore, a recently proposed rescoring method based on drug efficiency indices was evaluated. Among AutoDock Vina 1.0, AutoDock 4.2 and GemDock, AutoDock Vina was the best performing single method in predicting high affinity ligands from a database of known ligands and decoys. The rescoring of predicted binding energies with the water/butanol partition coeffcient... |
| Tipo: Manuscript |
Palavras-chave: Biotechnology; Chemistry; Bioinformatics. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/5979/version/1 |
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| Anna Steindl; Thomas Strumpf; Frank Riepert. |
| The background of the project are claims of the EU regulation to generate reliable data considering the extent of copper contamination in soils of specialized crops in order to decide about copper restrictions in organic farming.

2522 single soil samples were collected on 85 vineyard and 13 hop areas with different management histories. Samples were taken from sites presently under cultivation, formerly cultivated, and sites without anthropogenic copper contamination as control, indicating natural background values. In addition to Aqua Regia extraction for determining total copper contents, available plant copper content was analyzed in NH~4~NO~3~ extraction. Soil parameters such as pH-value, C/N ratio, soil type etc.... |
| Tipo: Presentation |
Palavras-chave: Chemistry; Plant Biology. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/5737/version/1 |
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| Apostolos Georgiadis; Geoffrey Maitland; Martin Trusler; Sergei Kazarian; Alexander Bismarck. |
| Within the scope of producing clean fossil fuels by simultaneously tackling greenhouse gas emissions, the interfacial tension of partially miscible phases containing CO~2~ is being investigated with the pendant drop method. Emphasis is given to measurements at elevated pressures and temperatures, analogous to reservoir conditions. A high pressure apparatus consisting of a view cell and high pressure capillary fittings is used for creating pendent drops at the desired conditions. A computer aided Drop Shape Analysis system is used for capturing images of such drops, which are then analysed for the interfacial tension calculation of the two phases with the KRUSS DSA software. The results acquired from the initial measurements conducted for the H~2~O/CO~2~... |
| Tipo: Poster |
Palavras-chave: Chemistry; Earth & Environment. |
| Ano: 2008 |
URL: http://precedings.nature.com/documents/2636/version/1 |
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| Arturo Solis; Maria E. Lara; Luis E. Rendon. |
| Melanin is to the animal kingdom like chlorophyll to the vegetal kingdom(1). Melanin collects energy from lower-energy radiation sources, kicks electrons into excited states, initiating a process that would end up producing chemical energy, similar to the way in which photosynthesis supplies energy to plants. However, the precise roles of melanin during this process are unknown. Here we show that the increase in the electron-transfer properties of melanin is independent of the energy of the incident photons. We found in controlled in vivo assays that melanin has the remarkable capability of converting lower-energy radiation towards a more useful form of energy. Furthermore, we found that melanin can break up water molecules and giving up energy suggesting... |
| Tipo: Manuscript |
Palavras-chave: Biotechnology; Chemistry. |
| Ano: 2007 |
URL: http://precedings.nature.com/documents/1312/version/1 |
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| Arun Chauhan; Swaleha Zubair; Qamar Zia; Saba Tufail; Asif Sherwani; Mohammad Sajid; Mohammad Owais. |
| Biomimetic nano-assembly formation offers a convenient and bio friendly approach to fabricate complex structures from simple components with sub-nanometer precision. Recently, extract from cells of microorganism/plant origin have emerged as a simple and viable route for the synthesis of metal and inorganic material nano-particles. In the present study, we have extended biological synthesis of nano-particles to organic molecules, namely the anticancer agent, 5-fluorouracil (5-FU) using Aloe vera leaf extract. The formation of 5-FU nano- particles was assessed by UV, FT-IR and fluorescence spectroscopic techniques. Transmission electron microscopy and atomic force microscopic techniques confirmed nano-size of the synthesized particles. Importantly, the... |
| Tipo: Manuscript |
Palavras-chave: Biotechnology; Cancer; Chemistry; Molecular Cell Biology. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/6182/version/1 |
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| Registros recuperados: 601 | |
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