Intermolecular interactions and formation of the hydration sphere in phosphonic acid model systems as an approach to the description of vinyl phosphonic acid based polymers

Molecular model systems based on propyl phosphonic acid (ppa) were studied by means of density functional theory calculations in order to describe the acid-acid interaction and the formation of the hydration sphere. The formation of ppa dimers is reported and the energetic difference between two dimer structures is presented. The hydration sphere of ppa was represented by model systems ppa(H₂O)_n, for which the system with n=4 formed the first hydration sphere (h¹), while n=7 can be considered a good approximation to the complete inner hydration sphere around the phosphonic acid group. The study of the ppa-H⁺ (H₂O)_n model systems showed an interesting structural behavior comparatively to the ppa(H₂O)_n systems. The protonated acids exhibited equivalent phosphorous-oxygen bonds and a general molecular structure is proposed to represent these protonated species.     

Effects of temperature, ammonium and glucose concentrations on yeast growth in a model wine system

In enology, alcoholic fermentation is a complex process involving several mechanisms. Slow and incomplete alcoholic fermentation is a chronic problem for the wine industry and factors leading to sluggish and stuck fermentations have been extensively studied and reviewed. The most studied cause of sluggish and stuck fermentation is the nitrogen content limitation. Nevertheless, other factors, such as temperature of fermentation and sugar concentration can affect the growth of yeasts. In this study we modelled the yeast growth‐cycle in wine model system as a function of temperature, sugar and ammonium concentrations; the individual effects and the interaction of these factors were analysed by means of a quadratic response surface methodology. Cell concentrations and weight loss were monitored in the whole wine fermentation process. The results of central composite design show that lower is the availability of nitrogen, higher is the cell growth rate; moreover, initial nitrogen concentration also influences survival time of Saccharomyces cerevisiae.     

Thermo-oxidative degradation of some polymer couples containing HNBR

Summary In this paper thermal behavior of some HNBR blends with CPE, PVC, CR and NBR at three temperatures, 150, 170 and 190°C is presented. Changes in characteristic IR bands, gel fraction, and chlorine content were assessed. Some mechanistic differences between the studied systems, regarding the involvement the depletion of chlorine and modification in gel content, were pointed out. Cyclization of nitrile structure was also observed by means of 2240 cm⁻¹ band ascribed to >C=NH. Kinetic considerations are presented. Received: 3 June 2002/Revised version: 14 November 2002/ Accepted 20 November 2002 Correspondence to Traian Zaharescu     

Identification of aroma components of Spanish ‘Verdejo’ wine

Aroma components of ine resulting from fermentation of grape must from the Verdejo cultivar ere isolated by continuous liquid-liquid extraction and further fractionation on a silica gel column. One hundred and thirty-to substances, including alcohols, esters, carbonyl compounds, terpenes, acids and sulphur compounds, ere identified by using GC-MS; some had not been previously detected in ines. Data are given hich could lead to the characterisation of the Verdejo cultivar and the effect of the elaboration of young ines. The sensory contribution of some volatile compounds to the flavour of Verdejo ine is also studied.     

On transitive orientations with restricted covering graphs

We consider the problem of finding a transitive orientation of a comparability graph, such that the edge set of its covering graph contains a given subset of edges. We propose a solution which employs the classical technique of modular tree decomposition. The method leads to a polynomial time algorithm to construct such an orientation or report that it does not exist.     

Fatty acid composition of total lipids,neutral lipids and phospholipids in wild and farmed matrinxã (Brycon cephalus) in the Brazilian Amazon area

BACKGROUND: The chemical composition of Amazonian fish is extremely variable, being influenced by the season and the type and amount of food. A special interest in the fish oil composition has been developed owing to the presence of essential fatty acids, since this is directly related to human health. This study aimed to investigate the fatty acid composition (FAC) of the total lipid (TL), neutral lipid (NL) and phospholipid (PL) fractions of the dorsal muscle and orbital cavity of farmed and wild matrinxã in the Amazon area captured in different seasons. RESULTS: Fatty acids (FA) were analysed by high‐resolution gas chromatography/mass spectrometry. Sixty‐five FA were detected in the TL, 66 in the NL and 55 in the PL. The main FA found in farmed and wild fish were oleic, palmitic, stearic and linoleic acids. No distinctions in the quality or quantity of these fractions between dorsal muscle and orbital cavity were found. CONCLUSION: The season had a significant influence on the TL and FAC. Fish captured during the dry season showed lower levels of lipid and a higher percentage of long‐chain polyunsaturated fatty acids. Matrinxã farmed in a semi‐intensive system showed a nutritional quality comparable to that of wild matrinxã captured in the wet season. Copyright © 2007 Society of Chemical Industry     

Effects of different cooking methods on the formation of food mutagens in meat

Hamburgers and chicken fillets were cooked in convection ovens, deep‐fried or contact fried and analysed for mutagenic activity using the Ames test. For the three different convection ovens, the cooking parameters studied included the presence of steam, air velocity, air temperature and holding time. For deep‐frying and contact frying, the cooking parameters included cooking temperature and cooking time. In cooked hamburgers, mutagenic activity was only detected in those that had been deep‐fried. In chicken fillets, mutagenic activity was detected in samples prepared with all cooking methods, being highest in the deep‐fried samples. Factorial analysis indicated that heat transfer was the most important factor affecting mutagenic activity. High temperature and high air velocity in the convection ovens enhanced mutagenic activity. The presence of steam reduced the mutagenic activity, except when high temperature was used in combination with high air velocity. In chicken fillets, high mutagenic activity correlated to high weight loss during cooking. Pan‐fried chicken fillets were analysed using high performance liquid chromatography (HPLC) and the mutagenic/carcinogenic heterocyclic amines 2‐amino‐3,8‐dimethylimidazo[4,5‐f ]‐quinoxaline (MeIQx), 2‐amino‐1‐methyl‐6‐phenylimidazo‐[4,5‐b]‐pyridine (PhIP) and the co‐mutagenic heterocyclic amine Norharman (9H‐pyrido[3,4‐b]‐indole) were identified. The HPLC fractions were tested for mutagenic activity and, apart from the mutagenic fractions corresponding to MeIQx and PhIP, several mutagenic fractions were detected that did not correspond to known heterocyclic amines.     

NIST 0:45 reflectometer

The NIST 0:45 reflectometer measures the spectral reflectance factor at an influx angle of 0° and an efflux angle of 45° of colored, nonfluorescent specimens at room temperature, with widths ranging from 3 to 10 cm and heights from 3 to 20 cm and with an uncertainty of less than 0.5 in color difference units. Published in 2008 by John Wiley & Sons, Inc. Col Res Appl, 33, 94–99, 2008     

Uncertainty analysis for the NIST 0:45 Reflectometer

Sets of color tiles are available from the National Institute of Standards and Technology calibrated using the NIST 0:45 Reflectometer. The uncertainties associated with the measured values for the color tiles are an indispensable component of the calibration report that accompanies these tiles. A systematic, analytical approach developed previously was applied to the particular case of the reference instrument and color tile set, taking into account the operation and characteristics of the instrument and the spectral properties of the set. The primary sources of uncertainty were identified, and the resulting uncertainties in the color space values L*, a*, and b* were determined. In general, the uncertainties are lowest for those color tiles whose reflectance factors are nearly constant with wavelength. Published in 2008 by John Wiley & Sons, Inc. Col Res Appl, 33, 100–107, 2008