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| Registros recuperados: 601 | |
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| Raji Heyrovska. |
| Aqueous standard redox potentials are conventionally referred to that of the standard hydrogen electrode (SHE) as zero (IUPAC definition), in the absence of the knowledge of its absolute value. Recently, the author obtained its value (4.20 V) from a newly found linear dependence of redox potentials on ionization potentials. This has enabled now to express the potentials of standard reference electrodes in terms of the absolute values. |
| Tipo: Presentation |
Palavras-chave: Chemistry. |
| Ano: 2010 |
URL: http://precedings.nature.com/documents/4354/version/1 |
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| Sierra Rayne; Kaya Forest. |
| Gas to aqueous phase standard state (1 atm to 1 mol/L; 298.15 K) free energies of solvation ([DELTA]G^o^~solv~) were calculated for a range of neutral and ionic inorganic and organic compounds using various levels and combinations of Hartree-Fock and density functional theory (DFT) and composite methods (CBS-Q//B3, G4MP2, and G4) with the IEFPCM-UFF, CPCM, and SMD solvation models in Gaussian 09 (G09). For a subset of highly polar and generally polyfunctional neutral organic compounds previously identified as problematic for prior solvation models, we find significantly reduced [DELTA]G^o^~solv~ errors using the revised solvent models in G09. The use of composite methods for these compounds also substantially reduces their apparent [DELTA]G^o^~solv~... |
| Tipo: Manuscript |
Palavras-chave: Chemistry. |
| Ano: 2010 |
URL: http://precedings.nature.com/documents/4864/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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| Ducey, Tom; Ippolito, J.A.; Cantrell, K.B.; Novak, J.M.; Lentz, R.D.. |
| It has been demonstrated that soil amended with biochar, designed specifically for use as a soil conditioner, results in changes to the microbial populations that reside therein. These changes have been reflected in studies measuring variations in microbial activity, biomass, and community structure. Despite these studies, very few experiments have been performed examining microbial genes involved in nutrient cycling processes. Given the paucity of research in this area, we designed a six-month study in a Portneuf soil (coarse-silty, mixed, superactive, mesic Durinodic Xeric Haplocalcid) treated with three levels (1%, 2%, and 10% w/w ratio) of a biochar pyrolyzed from switchgrass (Panicum virgatum) at 350°C and steam activated at 800°C to measure the... |
| Tipo: Article |
Palavras-chave: Amendments; Chemistry; Nitrogen; Soil. |
| Ano: 2013 |
URL: http://eprints.nwisrl.ars.usda.gov/1517/1/1481.pdf |
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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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| S. S. Sawhney. |
| The epidermal depigmentary trigger in humans at post-natal level may occur with the toxification of skin organ with the endogenously produced melanocytotoxic hydrogen peroxide and subsequent formation of hydrogen peroxide- melanolipoprotein conjugate involving the hydrogen bonding of complementary hydroxyl and carbonyl molecular surfaces of these biosignitures respectively. The condition is multifactorial but reversible. The structural and functional degeneration of melanocytes under the acquired condition never occur. The molecular conjugation theory on the aetiology and line of treatment of the epidermal depigmentary disorder (recoined as hepato-epidermal syndrome HES) has been proposed. The inherent sulfoxides of Allium cepa have been found as the... |
| Tipo: Manuscript |
Palavras-chave: Chemistry. |
| Ano: 2012 |
URL: http://precedings.nature.com/documents/7025/version/1 |
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| Siddhartha Sankar Mukhopadhyay. |
| Natural agricultural production functions in open system, where energy and matter are exchanged freely between geosphere (especially pedosphere), biosphere, and atmosphere. The self regulation of biophysical processes in these spheres is crucial for global sustainability. However, modern farming practices have stressed the system to the extent that damaged C, N, and P cycles are threatening catastrophic consequences. High food-wastage coupled with high food price, high soil fertility zones but low crop productivity, and highly productive irrigated farming marred with ecological disasters are examples of global paradoxes associated with modern farming. High incidence of pesticide residues in soil and water bodies, low use efficiency of agricultural inputs,... |
| Tipo: Presentation |
Palavras-chave: Chemistry; Ecology; Earth & Environment. |
| Ano: 2012 |
URL: http://precedings.nature.com/documents/6900/version/1 |
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| Ippolito, J.A.. |
| Aluminum-based water treatment residuals (Al-WTR) have a strong affinity to sorb phosphorus. In a proof-of-concept greenhouse column study, Al-WTR was surface-applied at 0, 62, 124, and 248 Mg/ha to 15 cm of soil on top of 46 cm of sand; Al-WTR rates were estimated to capture 0, 10, 20, and 40 years of phosphorus from an urban watershed entering an engineered wetland in Boise, Idaho, USA. Creeping red fescue (Festuca rubra) was established in all columns; one set of columns received no Al-WTR or plants. After plant establishment, once per week over a 12-week period, ~1.0 pore volumes of ~0.20 mg phosphorus/L was added to each column. Infiltration rates were measured, leachate was collected and analyzed for soluble phosphorus, and fescue yield,... |
| Tipo: Article |
Palavras-chave: Chemistry; Water management; Water quality. |
| Ano: 2015 |
URL: http://eprints.nwisrl.ars.usda.gov/1605/1/1563.pdf |
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| K. Awaneesh Singh; Patrick Celie; G. R. K. Rao; M. V. Jagannatham. |
| Formation and differentiation of salt crystal is a most common as well as challenging problem during protein crystallography. Although there are some methods used for their differentiation i.e. physical manipulation, birefringence, dye absorption and run a gel but all of them are totally depends on own perception and expertise as well as also require a good crystal (final stage crystal). To escape this problem the screening was done with PACT, JCSG and other automated screens as everyone do. But during optimization the additives/salts were ignored at first and optimization screen was made just based on different buffers and precipitant. After selecting suitable buffer, the type and percentage of precipitant was optimized. We got some ugly crystals and with... |
| Tipo: Poster |
Palavras-chave: Biotechnology; Chemistry. |
| Ano: 2010 |
URL: http://precedings.nature.com/documents/4725/version/1 |
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| Sierra Rayne; Kaya Forest. |
| SPARC, KOWWIN, and ALOGPS octanol-water partitioning (log K~ow~) and distribution (log D) constants were calculated for all C~1~ through C~8~ and the straight chain C~9~ through C~15~ perfluoroalkyl sulfonic acids (PFSAs) and carboxylic acids (PFCAs). Application of five established models for estimating bioconcentration factors (BCFs) were applied to the PFSA and PFCA log K~ow~ and log D data and compared to available field and laboratory BCF data. Wide variability was observed between the methods for estimating log K~ow~ and log D values, ranging up to several log units for particular congeners, and which was further compounded by additional variability introduced by the different BCF equations applied. With the exception of n-perfluorooctanecarboxylic... |
| Tipo: Manuscript |
Palavras-chave: Chemistry; Earth & Environment. |
| Ano: 2009 |
URL: http://precedings.nature.com/documents/3256/version/1 |
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| Hong-Sang Low; Christopher J. O. Baker; Alexander Garcia; Markus R. Wenk. |
| Lipids can be systematically classified according to functional properties, structural features, biochemical origin or biological system. However Lipid nomenclature has yet to become a robust research tool since no rigorous definitions exist for membership of specific lipid classes. Lipids need to be defined in a manner that is systematic yet at the same time semantically explicit. We report on the reuse of existing lipid nomenclature, ontology describing chemical structure and the extension of the OWL-DL Lipid Ontology to support the classification of lipid molecules. We applied definitions, DL-axioms, to describe lipids classes and illustrate suitability of the ontology for the classification of Fatty Acyl lipids and Mycolic acids. |
| Tipo: Presentation |
Palavras-chave: Chemistry; Bioinformatics. |
| Ano: 2009 |
URL: http://precedings.nature.com/documents/3590/version/2 |
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| Hong Sang Low; Christopher J. O. Baker; Alex Garcia; Markus R. Wenk. |
| Lipids can be systematically classified according to functional properties, structural features, biochemical origin or biological system. However Lipid nomenclature has yet to become a robust research tool since no rigorous definitions exist for membership of specific lipid classes. Lipids need to be defined in a manner that is systematic yet at the same time semantically explicit. We report on the reuse of existing lipid nomenclature, ontology describing chemical structure and the extension of the OWL-DL Lipid Ontology to support the classification of lipid molecules. We applied definitions, DL-axioms, to describe lipids classes and illustrate suitability of the ontology for the classification of Fatty Acyl lipids and Mycolic acids. |
| Tipo: Manuscript |
Palavras-chave: Chemistry; Bioinformatics. |
| Ano: 2009 |
URL: http://precedings.nature.com/documents/3542/version/1 |
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| Hong-Sang Low; Christopher J. O. Baker; Alexander Garcia; Markus R. Wenk. |
| Lipids can be systematically classified according to functional properties, structural features, biochemical origin or biological system. However Lipid nomenclature has yet to become a robust research tool since no rigorous definitions exist for membership of specific lipid classes. Lipids need to be defined in a manner that is systematic yet at the same time semantically explicit. We report on the reuse of existing lipid nomenclature, ontology describing chemical structure and the extension of the OWL-DL Lipid Ontology to support the classification of lipid molecules. We applied definitions, DL-axioms, to describe lipids classes and illustrate suitability of the ontology for the classification of Fatty Acyl lipids and Mycolic acids. |
| Tipo: Presentation |
Palavras-chave: Chemistry; Bioinformatics. |
| Ano: 2009 |
URL: http://precedings.nature.com/documents/3590/version/1 |
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| Martin Kopani; Martin Weis; Jan Jakubovsky. |
| Besides carbon, oxygen and nitrogen, numerous other elements and their compounds are significant in the body of humans and other animals. Accumulation of some elements and their compounds is recognized by clinical and biochemical evaluation. The physical-chemical properties and topical characteristics of elements in tissues may play a crucial role in evaluation their effect on human body. The ^57^Fe Mössbauer measurement was used for evaluation of iron–oxide biomagnetic nanoparticles composition and properties. Absorption spectra of the powdered spleen recorded at 77K and 300K were measured and subsequently analyzed. From fitted data it is possible to obtain material composition as well as discuss the mean particle size (received from... |
| Tipo: Poster |
Palavras-chave: Chemistry; Earth & Environment. |
| Ano: 2007 |
URL: http://precedings.nature.com/documents/1408/version/1 |
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| Shradhanjali Singh; Anil K. Singh; Shanti B. Mishra; Alok Mukerjee; Mrinalini C. Damle. |
| A simple, accurate and precise high performance thin layer chromatographic method has been developed for the estimation of Valsartan and Nebivolol hydrochloride simultaneously from a tablet dosage form. The method employed silica gel 60 F254 pre-coated plates as stationary phase and a mixture of Ethyl acetate: Methanol: Ammonia (6.5:2.5:0.5 %v/v/v) as mobile phase. Densitometric scanning was performed at 280 nm using a Camag TLC scanner 3. Beer’s law was obeyed in the concentration range of 800ng/spot-2400ng/spot for Nebivolol hydrochloride and 200ng/spot-1000ng/spot for Valsartan. The Retention factor for Nebivolol hydrochloride is 0.75 ± 0.04 and is 0.27 ± 0.01 for Valsartan . The method was validated as per ICH Guidelines,... |
| Tipo: Manuscript |
Palavras-chave: Chemistry. |
| Ano: 2011 |
URL: http://precedings.nature.com/documents/6134/version/1 |
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| Katja Neubauer; Jenny Bandomir; Anett Grunenberg; Andreas Müller; Udo Kragl; Kerstin Schmidt. |
| With the environmental risk assessment (ERA) for genetically modified plants (GMP) the identification of equivalence or differences in the composition of ingredients of GMPs and non-GMPs has to be investigated. The strategy is based upon the idea that traditionally cultivated crops have been used safely for many years, thus every divergence within the compounds of a GMP in contrast to its non-GMP counterpart could refer to a risk and has to be further analysed.

The BioOK company offers the opportunity to analyse very different aspects from the ERA of GMPs in one hand. Beside toxicological analysis and the determination of environmental effects via soil analysis, we can look into several plant metabolites to identify... |
| Tipo: Poster |
Palavras-chave: Biotechnology; Chemistry; Plant Biology. |
| Ano: 2010 |
URL: http://precedings.nature.com/documents/4439/version/2 |
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| Katja Neubauer; Jenny Bandomir; Anett Grunenberg; Andreas Müller; Udo Kragl; Kerstin Schmidt. |
| With the environmental risk assessment (ERA) for genetically modified plants (GMP) the identification of equivalence or differences in the composition of ingredients of GMPs and non-GMPs has to be investigated. The strategy is based upon the idea that traditionally cultivated crops have been used safely for many years, thus every divergence within the compounds of a GMP in contrast to its non-GMP counterpart could refer to a risk and has to be further analysed.

The BioOK company offers the opportunity to analyse very different aspects from the ERA of GMPs in one hand. Beside toxicological analysis and the determination of environmental effects via soil analysis, we can look into several plant metabolites to identify... |
| Tipo: Poster |
Palavras-chave: Biotechnology; Chemistry; Plant Biology. |
| Ano: 2010 |
URL: http://precedings.nature.com/documents/4439/version/1 |
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| Registros recuperados: 601 | |
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