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41.
Alternatives based on polynomial expansions of gaussian basis set exponents are introduced and evaluated. The formulas presented here outperform methods based upon the even-tempered formula or combinations of it. They closely match the performance of other methods based upon larger polynomial expansions of the logarithm of the exponents using the same or one less parameter per orbital angular symmetry. 相似文献
42.
Angel L. Esteban Maria P. Galache Francisco Mora Ernesto Diez Jesus San Fabian 《Journal of computational chemistry》1989,10(7):887-895
An equation is formulated on the basis of theoretical INDO/FPT calculations which describes the angular dependence of the propanic long-range coupling constant 4JMeH in substituted HCCCH3 fragments. This equation is a truncated Fourier series in the torsion angle ?, HCCMe, which takes into account the dependence of the Fourier coefficients on the bond angle θ, CCMe. The substituent effects are assumed to be additive. Some parameters in the equation may be obtained from the 4JMeH couplings in propane and neopentane derivatives. The calculated effect upon 4JMeH of changes in the bond angle θ is significant and it seems to be in part the cause of some effects which have been attributed to conformational dependence. 相似文献
43.
Ricardo de Souza Pereira Nivaldo AntÔnio Parizotto Vitor Baranauskas 《Applied biochemistry and biotechnology》1996,59(2):135-143
Different strains of baker’s yeast(Saccharomyces cerevisiae) were imaged with an atomic force microscope (AFM). The images of uncoated and nonfixed samples were reproducible with high-constrast
and nanometer-resolution. Molecules from the polysaccharide surface of the cell wall were pictured and the distance of atoms
was measured. The preparation of samples was easy, suggesting that AFM is a useful tool in this type of analyses. 相似文献
44.
G. Carelli N. Ioli A. Moretti D. Pereira F. Strumia R. Densing 《Applied physics. B, Lasers and optics》1988,45(2):97-100
FIR laser lines close to the N+
3
P
2–3
P
1 transition at 122 m can be used as a local oscillator for heterodyne detectors. The frequencies of some candidate laser lines from CH2F2,13CH3OH, CD3OD, and CD3OH have been measured and the output power of the most interesting lines has been optimized. 相似文献
45.
Nelson Durán Klaus Zinner Roberto Casadei de Baptista Carmen C. C. Vidigal Giuseppe Cilento 《Photochemistry and photobiology》1976,24(4):383-388
Abstract— The thiophenyl ester of indole-3-acetic acid and indole-3-acetonitrile produce chemiluminescence in aerated dimethylsulfoxide in the presence of potassium t -butoxide. The emitter is the aromatic aldehyde. In the case of acetonitrile, the other product expected from the cleavage of an intermediate dioxetane, cyanate/isocyanate, has also been identified. Other auxins also chemiluminesce under similar conditions, but the emitters have not been properly identified.
These systems are models for the peroxidase catalyzed oxidation of indole-3-acetic acid to indole-3-carboxaldehyde and as such support the earlier inference (Vidigal et al , 1975) that the excited aldehyde is generated in the enzymic process.
An additional result is the observation of an exciplex between excited indole-3-carboxaldehyde and the thiophenylester of indole-3-acetic acid. This appears to be the first case of chemical generation of an exciplex by a route other than radical ion reaction, presumably by the dioxetane route. 相似文献
These systems are models for the peroxidase catalyzed oxidation of indole-3-acetic acid to indole-3-carboxaldehyde and as such support the earlier inference (Vidigal et al , 1975) that the excited aldehyde is generated in the enzymic process.
An additional result is the observation of an exciplex between excited indole-3-carboxaldehyde and the thiophenylester of indole-3-acetic acid. This appears to be the first case of chemical generation of an exciplex by a route other than radical ion reaction, presumably by the dioxetane route. 相似文献
46.
Eliana M. Alhadeff Andrea M. Salgado Nei Pereira Jr. Belkis Valdman 《Applied biochemistry and biotechnology》2004,113(1-3):125-136
An automated flow injection analysis (FIA) system for quantifying ethanol was developed using alcohol oxidase, horseradish
peroxidase, 4-aminophenazone, and phenol. A colorimetric detection method was developed using two different methods of analysis,
with free and immobilized enzymes. The system with free enzymes permitted analysis of standard ethanol solution in a range
of 0.05–1.0 g of ethanol/L without external dilution, a sampling frequency of 15 analyses/h, and relative SD of 3.5%. A new
system was designed consisting of a microreactor with a 0.91-mL internal volume filled with alcohol oxidase immobilized on
glass beads and an addition of free peroxidase, adapted in an FIA line, for continued reuse. This integrated biosensor-FIA
system is being used for quality control of biofuels, gasohol, and hydrated ethanol. The FIA system integrated with the microreactor
showed a calibration curve in the range of 0.05–1.5 g of ethanol/L, and good results were obtained compared with the ethanol
content measured by high-performance liquid chromatography and gas chromatography standard methods. 相似文献
47.
The effect of ohmic and conventional heat processing of different food products on their chemical and physical parameters
was studied. Depending on the food being analysed, parameters such as pH, total solids, ash, titratable acidity, ascorbic
acid, total sugars, total fatty acids, total phenolic compounds, and anthocyanins content were determined before and after
ohmic and conventional pasteurization techniques and the results were compared using one-way analysis of variance. In goat
milk samples treated by ohmic technology the pH value (6.58) and total fatty acids content in milk fat (86.5 mass %) were
comparable to those found in milk treated by conventional process, however, ohmically treated samples presented a lower content
of lactic acid, 0.13 %. In cloudberry jam samples treated by ohmic technology the results of some of the main parameters tested,
such as total sugar content 46.1 mass %, ascorbic acid content 2.83 mass %, and titratable acidity 6.01 mass % (as citric
acid) did not show significant differences when compared with samples treated by conventional technology.
Presented at the 33rd International Conference of the Slovak Society of Chemical Engineering, Tatranské Matliare, 22–26 May
2006. 相似文献
48.
A. González Arias C. Torres C. de
Francisco J. M. Muñoz P. Hernández
Gómez O. Alejos O. Montero J. I. Iñiguez 《Journal of Thermal Analysis and Calorimetry》2006,86(1):195-198
The article discusses theory and experiment about the measurement of
defect concentration in Ti-substituted yttrium iron garnet by means of thermogravimetry
techniques. The two possible cases arising from oxygen interchange with atmosphere,
oxygen vacancies and interstitial cations, may be analyzed quantitatively
from the derived expressions. The possibility of another type of defects being
present in the samples, not associated to oxygen evolution, is not excluded.
Measurements were carried out in air and CO2 for different
Ti contents. The substitution tends to increase slightly the defect parameter
θ in YIG, while a CO2 reducing atmosphere is
much more effective than the Ti substitution for increasing θ. Calculations
for a given single-phased sample sintered in air show two possibilities: a
deficit of one oxygen atom for every 2.5 unit cells of 96 atoms, or one excess
cation for every 3.5 cells. Other samples show very similar results. The accuracy
involved in the measurements is about 2–3%. 相似文献
49.
Zein films plasticized with oleic acid were formed by solution casting, by the stretching of moldable resins, and by blown film extrusion. The effects of the forming process on film structure were investigated by X-ray diffraction. Wide-angle X-ray scattering (WAXS) patterns showed d-spacings at 4.5 and 10 A, which were attributed to the zein alpha-helix backbone and inter-helix packing, respectively. The 4.5 A d-spacing remained stable under processing while the 10 A d-spacing varied with processing treatment. Small-angle X-ray scattering (SAXS) detected a long-range periodicity for the formed films but not for unprocessed zein, which suggests that the forming process-promoted film structure development is possibly aided by oleic acid. The SAXS d-spacing varied among the samples (130-238 A) according to zein origin and film-forming method. X-ray scattering data suggest that the zein molecular structure resists processing but the zein supramolecular arrangements in the formed films are dependent on processing methods. Structural model for a zein molecular aggregate (based on Matsushima et al.10). Rectangular prisms of individual zein molecules are hexagonally aligned parallel to each other. 相似文献
50.
Alberto Avenoza Jesús H Busto Carlos Cativiela Francisco Corzana Jesús M Peregrina María M Zurbano 《The Journal of organic chemistry》2002,67(2):598-601
A short and efficient asymmetric synthesis of the (6R,7S)-7-tert-butoxycarbonylamino-2-ketocarbacepham is described. The key step involves the hetero Diels-Alder reaction of the benzylimine derived from the enantiomer of Garner's aldehyde with Danishefsky's diene. 相似文献