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1.
The energy interaction curves of a number of diatomic and polyatomic dication systems were calculated in order to study their energy-trapping properties. Generally, the ab initio complete active space multiconfiguration self-consistent field method was used in an extended valence + polarization basis set, with compact effective potentials replacing the core electrons. The diatomic dications include all ten possible binary combinations of oxygen, sulphur, selenium, and tellurium. O22+ shows the largest exothermicity, measured from equilibrium to the monocation combination asymptote, and highest barrier to dissociation. The calculated equilibrium bond length and harmonic vibrational frequency agree very well with experiment. The O22+, SO2+, SeO2+, and TeO2+ series show progressively decreasing exothermicities but similar barrier heights. The non-oxides, in contrast, show similar exothermicities but decreasing barriers with increasing size of the atom constituents. These trends are interpreted in terms of both valence bond curve-crossing and molecular orbital bonding models. The ozone dication, O32+, is found to have a number of low-lying singlet and triplet stationary state structures spanning near-linear to D3h2+ symmetries. Although the calculated exothermicity is even larger than for O22+, the barrier to O2+ + O+ dissociation is predicted to be low in each case. O22+ surrounded by six argon atoms to model an isolating environment shows increased equilibrium O–O bond length, decreased exothermicity, and increased barrier to dissociation, relative to the bare dication. O22+ flanked at each end by a perpendicularly oriented H2 molecule in a staggered conformation is obstructed from direct conversion to the water dimer dication by a high barrier. However, [(H2O)2]2+ dissociates smoothly from equilibrium to two water monocations with a large exothermicity but a small barrier. 相似文献
2.
Alexander Pavlov Gonzalo D Garcia De Fernando Juan A Ordoez Lorenzo Hoz 《Journal of the science of food and agriculture》1994,64(2):141-143
The β-hydroxyacyl-CoA-dehydrogenase (HADH) activity of unfrozen and thawed frog legs was investigated. The enzyme was extracted by either immersing frog legs in phosphate buffer 0.1 M, pH 6.0 at 25°C for 15 min or pressing them between trichinoscopy glasses. The enzyme activity was assayed using acetoacetyl-CoA as substrate and measured spectrophotometrically at 340 nm. It was possible by both extraction methods to distinguish between thawed and unfrozen samples although when the juice was obtained by pressing the HADH activity of the dilution was ~ 1.5 times higher than that obtained by immersion. The HADH activity was significantly higher (P≤0·001) in frozen-thawed frogs than in unfrozen legs because during freezing there is a release of HADH. No significative differences were found in the HADH activity in samples frozen in the temperature range -10 to -196°C. HADH activity was not affected by the storage time in crushed ice up to 6 days. 相似文献
3.
In this paper, we develop a numerical method for the N-dimensional sine-Gordon equation using differentiation matrices, in the theoretical frame of matrix differential equations.Our method avoids calculating exponential matrices, is very intuitive and easy to express, and can be implemented without toil in any number of spatial dimensions. Although there is currently a vast literature on the numerical treatment of the one-dimensional sine-Gordon equation, the references for the two-dimensional case are much sparser, and virtually nonexistent for higher dimensions.We apply it to a battery of two-dimensional problems taken from the literature, showing that it largely outperforms the previously existing algorithms; while for three-dimensional problems, the results seem very promising. 相似文献
4.
Use of β-hydroxyacyl-CoA-dehydrogenase (HADH) activity to differentiate frozen from unfrozen fish and shellfish 总被引:1,自引:0,他引:1
Manuela Fernández Sergio Mano Gonzalo D. García de Fernando Juan A. Ordóñez L. Hoz 《European Food Research and Technology》1999,209(3-4):205-208
Further work on an enzymic method to differentiate frozen from unfrozen fish and shellfish is reported. The method is based
on the release of the β-hydroxyacyl-CoA-dehydrogenase (HADH) from mitochondria during freezing. Enzymic activity was evaluated
in fresh and frozen thawed samples from sole (Solea solea), sea bream (Pagellus centrodontus), hake (Merluccius merluccius), gilt headed bream (Sparus aurata), sea bass (Dicentrarchus labrax), salmon (Salmo salar), prawn (Penaeus japonicus) and Norwegian lobster (Nephrops norvegicus). Changes in the HADH activity of fresh and frozen thawed samples were compared after freezing at –196 °C for 15 min. Two
values were obtained: U (by dividing: HADH activity of samples frozen at –196 °C, then thawed/HADH activity of unfrozen samples) and F (by dividing: HADH activity of samples frozen at –18 °C, thawed, then frozen at –196 °C /HADH activity of samples frozen
at –18 °C, then thawed). Statistical analysis showed significant differences (P≤0.05) between both quotients for gilt headed bream, salmon, sea bream, sole and prawn, and an arbitrary limit was set at
2 to differentiate frozen thawed from unfrozen samples. The application of this limit made it possible to discriminate the
unfrozen from the frozen thawed state of around 90% of the total samples analysed. Best results were obtained for prawn (100%
of samples differentiated). In the present paper, a laboratory routine is proposed based on the comparison of the HADH activity
of a sample analysed straight away and that of a sample frozen at –196 °C and then thawed. The reported method is simple
and fast. The entire laboratory procedure can be performed in 45 min.
Received: 20 July 1998 / Revised version: 2 November 1998 相似文献
5.
J.M. Bruna M. Fernández E.M. Hierro J.A. Ordóntez L. de la Hoz 《Journal of food science》2000,65(4):731-738
ABSTRACT: The effect of inoculation of the "salchichón" (dry fermented sausage) surface with an atoxigenic, proteolytic, and lipolytic strain of Mucor racemosus and/or the addition of a intracellular extract of the same mold on the ripening process was studied. Four batches of salchichón were manufactured: control, superficially inoculated, added with intracellular extract, and a combination of both treatments. Superficial mold modified the amino and free fatty acid contents, volatile compounds, and sensory properties. Intracellular extract degraded free amino acids, producing a rise in ammonia and volatile compounds. Both treatments combined improved significantly the sensory properties, which were given scores higher than control sausages at the end of ripening. 相似文献
6.
A. Pavlov G. D. García de Fernando O. Díaz M. Fernández D. López J. A. Ordóñez L. de la Hoz 《Zeitschrift für Lebensmitteluntersuchung und -Forschung A》1994,198(6):465-468
Changes in the -hydroxyacyl-CoA-dehydrogenase (HADH) activity of squid (Loligo vulgaris), mackerel (Scomber scombrus), tuna (Thunnus alalunga), sea bream (Pagellus centrodontus), sole (Solea solea), hake and small hake (Merluccius merluccius) meat due to freezing treatment at –10° C, –18° C, –35° C, –80° C or –196° C were investigated. With the exception of the small hake, the HADH activity of aqueous extracts from meat was significantly higher (p<0.0001) in all frozen/thawed fish species studied than in unfrozen animals because during freezing there was a release of HADH. HADH activity values of frozen/thawed squid, unfrozen mackerel, frozen/thawed and unfrozen sea bream and unfrozen hake were affected by the storage time in crushed ice.
Effekt des Gefrierens auf die-Hydroxyacyl-CoA-dehydrogenase (HADH)-Aktivität von Fischfleisch
Zusammenfassung Änderungen in der Aktivität der -Hydroxyacyl-CoA-dehydrogenase (HADH) im Fleisch von Tintenfisch, Makrele, Thunfisch, Seebrassen, Seezunge und Seehecht als Folge des Gefrierens bei –10 °C, –18 °C, –35 °C, –80 °C und –196 °C wurden untersucht. Mit Ausnahme kleiner Seehechte war die HADH-Aktivität wäßriger Extrakte des Fleisches bei allen gefrorenen und dann aufgetauten Fischen signifikant höher (p<0,0001) als bei ungefroren gelagerten Tieren. Dies ist Folge des Austrittes von HADH aus den Zellen während des Gefrierens. Die HADH-Aktivitäten von gefrorenem/aufgetautem Tintenfisch und Seebrassen sowie ungefrorenen Makrelen, Seebrassen und Seehechten wurden auch durch Lagern auf gestoßenem Eis beeinflußt.相似文献
7.
Angel Cobos María I. Cambero Juan A Ordez Lorenzo De La Hoz 《Journal of the science of food and agriculture》1993,62(1):83-88
The effects of beef tallow-, soya and sunflower olein- and soya bean oil-enriched (3%) diets on the chemical and fatty acid composition of total, a polar and polar lipids of rabbit meat have been studied. No significant differences (P > 0.05) in the meat chemical composition were observed between groups. However, a large effect of the diet on the total and apolar lipid fatty acids was found, with C18:1 and C18:2 the most affected fatty acids. The influence of the diets on the fatty acids of the polar fraction was less marked. It is concluded that the enrichment of the rabbit diet with either soya and sunflower oleins or soya bean oil allows the production of rabbit meat with a higher unsaturation degree than is obtained by using conventional diets, which constitutes an important nutritional benefit to the human being. 相似文献
8.
Cabeza MC Ordóñez JA Cambero I de la Hoz L García ML 《Journal of food protection》2004,67(9):1886-1891
The combined effects of simultaneous application of ultrasonic waves and heat treatment (thermoultrasonication) on the survival of a strain of Salmonella enterica Enteritidis was studied in both distilled water and intentionally contaminated intact eggs immersed in water. Although minor differences were observed between parameters obtained for thermoultrasonic treatment of bacteria suspended in water and those attached to the shell egg, the thermoultrasonication effects were considered to be of the same level in the range of temperatures assayed (52 to 58 degrees C). This combined process presented a clearly higher killing effect than the heat treatment alone. It decreased the decimal reduction times (D-values) by 80 to 55%, respectively, in the range of temperatures for heat treatment when the organism was suspended in water, which means a 99.5% reduction (5D to >2D) of the original bacterial load versus a 90% reduction for the heat treatment alone. The practical implications of the phenomenon are discussed. 相似文献
9.
Bruna JM Hierro EM de la Hoz L Mottram DS Fernández M Ordóñez JA 《International journal of food microbiology》2003,85(1-2):111-125
An atoxigenic strain of Penicillium camemberti was superficially inoculated on fermented sausages in an attempt to improve their sensory properties. The growth of this mould on the surface of the sausages resulted in an intense proteolysis and lipolysis, which caused an increase in the concentration of free amino acids, free fatty acids (FFA) and volatile compounds. Many of these were derived from amino acid catabolism and were responsible for the "ripened flavour", i.e. branched aldehydes and the corresponding alcohols, acids and esters. The development of the fungal mycelia on the surface of the sausages also protected lipids from oxidation, resulting in both lower 2-thiobarbituric acid (TBARS) values and lipid oxidation-derived compounds, such as aliphatic aldehydes and alcohols. The sensory analysis of superficially inoculated sausages showed clear improvements in odour and flavour and, as a consequence, in the overall quality of the sausages. Therefore, this strain is proposed as a potential starter culture for dry fermented sausage production. 相似文献
10.
Francisco de la Hoz 《Computer Physics Communications》2010,181(7):1195-1203
This paper presents an efficient integrating-factor method for solving a nonlinear Dirac equation (NLD). Starting with the simplest case of one space-variable, this method, unlike other approaches proposed in the bibliography, can be easily extended to problems with more space-variables. Our algorithm is implemented in Matlab© and the numerical experiments performed reveal its effectiveness and reliability. 相似文献