bluuebunny/crossref_metadata_2025_split huggingface dataset:
Lipase‐catalyzed esterification of cinnamic acid and oleyl alcohol in organic solvent media
Authors: Lue Bena‐Marie , Karboune Salwa , Yeboah Faustinus K , Kermasha Selim 
Published: March 2005

AbstractThe esterification of cinnamic acid (CA) and oleyl alcohol (OA) in organic solvent media by immobilized lipase Novozym 435 was optimized in terms of selected parameters, including the logarithm of the 1‐octanol/water partition coefficient of the organic solvent (log P, 0.29–4.5), initial water activity (aw, 0.05–0.75), agitation speed (0–200 rpm), temperature (35–65 °C) and ratio of substrates (CA/OA, 1.0:0.5–1.0:6.0). The results showed that the more hydrophobic solvent mixtures and lower initial aw values resulted in a higher enzymatic activity and bioconversion yield. The most appropriate solvent medium and initial aw value was the mixture of iso‐octane/2‐butanone (85:15, v/v) and 0.05, respectively. The results also showed that an agitation speed of 150 rpm and a reaction temperature of 55 °C were optimal for the reaction system. The activation energy (Ea) of the esterification reaction was calculated as 43.6 kJ mol−1. The optimal ratio of CA to OA was 1.0:6.0, with the absence of any inhibition by OA. Using the optimized conditions, the maximum enzymatic activity was 390.3 nmol g−1 min−1, with a bioconversion yield of 100% after 12 days of reaction. In addition, the electrospray ionization‐mass spectroscopy analysis confirmed that the major end product of the esterification reaction was oleyl cinnamate. Copyright © 2005 Society of Chemical Industry
A preliminary approach to predictive modelling of extra virgin olive oil stability
Authors: Zanoni Bruno , Bertuccioli Mario , Rovellini Pierangela , Marotta Federico , Mattei Alissa 
Published: March 2005

AbstractThe aim of this work was to set up a phenomenological model to predict the stability of extra virgin olive oil based on combined stability/instability indices. A screening of stability/instability indices was carried out by multivariate statistical analyses on company data for virgin olive oil. Screened indices were acidity, oleic acid content and bitter taste. The ability of these indices to predict stability was checked by measuring the following degradation parameters on 11 oil samples of different compositions planned by a fractional factorial design (FFD): peroxide value, UV spectroscopic indices, minor polar component content, oxidative status of fatty acids, antioxidant activity and sensory descriptors of aroma, taste and flavour. Experimental data were processed by multivariate statistical analyses. A combination of acidity, oleic acid content and bitter taste values was significantly able to predict oil stability expressed by the peroxide value, the K232 UV index and the oxidative status of fatty acids. Copyright © 2005 Society of Chemical Industry
Physicochemical properties of the starchy flour extracted from sweet potato tubers through lactic acid fermentation
Authors: Jyothi Alummoottil N , Wilson Barnabas , Moorthy Subramoney N , George Mathew 
Published: March 2005

AbstractThe efficiency of starch extraction from sweet potato tubers was improved by lactic acid fermentation using a mixed culture inoculum. Study of the properties of the starchy flour showed that there was a significant reduction in the starch content and consequently the soluble and apparent amylose contents of fermented samples from all six varieties used. A fall in peak viscosity and viscosity breakdown was observed for fermented samples, while the pasting temperature was enhanced significantly. The fermented flour showed greater solubility and reduced swelling. Differential scanning calorimetry studies indicated a delay in gelatinisation and a fall in enthalpy of gelatinisation of the starch on fermentation. Unlike cassava, all the properties of the starch from sweet potato tubers, ie viscosity, swelling, solubility, gelatinisation temperature, amylose content and starch content, were affected by fermentation, and variation was also observed among cultivars. Copyright © 2005 Society of Chemical Industry
Nutritive evaluation of herbage from permanent meadows by near‐infrared reflectance spectroscopy: 1. Prediction of chemical composition and in vitro digestibility
Authors: Andrés Sonia , Giráldez F Javier , López Secundino , Mantecón Ángel R , Calleja Alfredo 
Published: March 2005

AbstractThis study was implemented to evaluate the potential of near‐infrared reflectance spectroscopy (NIRS) technology to estimate the chemical composition and in vitro digestibility of botanically complex herbage mixtures characterised, moreover, by a noteworthy variation among samples in the maturity of the forage plants. A total of 107 herbage samples harvested from permanent meadows located in the uplands of León (northwestern Spain) were analysed to determine their chemical composition. In addition, the in vitro digestibility of each herbage sample was measured by two different in vitro procedures using buffered rumen fluid. A Bran + Luebbe InfraAlyzer 500 spectrophotometer was used to obtain the near‐infrared spectra corresponding to each herbage sample. Prediction equations developed for the estimation of the chemical components showed that NIRS technology could predict these parameters accurately, especially the crude protein and neutral detergent fibre contents ($R_{\rm adj}^{2} > 0.95$ in both cases). In vitro digestibility parameters could also be predicted with an acceptable degree of accuracy using NIRS technology, particularly the in vitro Tilley and Terry organic matter digestibility ($R_{\rm adj}^{2} = 0.925$, standard error of prediction (SEP) = 2.165% organic matter) and the in vitro dry matter true digestibility measured according to the Goering and Van Soest procedure ($R_{\rm adj}^{2} = 0.891$, SEP = 2.208% dry matter). Copyright © 2005 Society of Chemical Industry
Nutritive evaluation of herbage from permanent meadows by near‐infrared reflectance spectroscopy: 2. Prediction of crude protein and dry matter degradability
Authors: Andrés Sonia , Calleja Alfredo , López Secundino , Mantecón Ángel R , Giráldez F Javier 
Published: March 2005

AbstractA total of 62 herbage samples, harvested in natural meadows located in the uplands of León (northwestern Spain) and characterised by a diverse botanical composition and different stages of maturity of the plants, were used to evaluate the ability of chemical composition and near‐infrared reflectance spectroscopy to predict dry matter (DM) and crude protein (CP) ruminal degradability. Three non‐productive Holstein‐Friesian cows fitted with rumen cannulae were used to incubate the herbage samples. Once the DM and CP disappearance rates had been calculated, the exponential model of McDonald was fitted to estimate the kinetic parameters, which were used to calculate the potential and effective ruminal degradability at different passage rates. A Bran + Luebbe InfraAlyzer 500 spectrophotometer was used to obtain the near‐infrared (NIR) spectra corresponding to the 62 original herbage samples. Prediction equations for the estimation of the DM and CP degradability parameters were generated using the chemical composition data and the NIR spectra as independent variables. The results showed that the kinetic parameters were predicted with less accuracy than the potential or effective degradability of the chemical fractions. When NIR spectra were used as independent variables, the accuracy of the predictions of the potential or effective degradability of DM and CP was higher. Overall, the degradability of CP was predicted less successfully than the degradability of DM, probably owing to errors in the reference method, such as the microbial contamination of the incubation residues. Copyright © 2005 Society of Chemical Industry
Effects of storage conditions on oxidative stability of soybean oil
Authors: Yang Tsung‐Shi , Chu Yan‐Hwa , Liu Tai‐Ti 
Published: March 2005

AbstractSoybean oil in the presence or absence of 200 µg g−1 tert‐butyl hydroquinone (TBHQ) was subjected to accelerated oxidative storage at 60 °C for 10 days or stored at room temperature for 12 months. Tocopherol contents of the oil decreased, whereas the headspace volatiles and peroxide values (PV) increased as the storage time increased. During accelerated storage, TBHQ was effective in retarding the formation of hydroperoxides and headspace volatiles in the oil. TBHQ also protected tocopherols, especially α‐tocopherol, from oxidation. During long‐term room‐temperature (LTRT) storage, the changes in PV between the oils with and without TBHQ were similar, but the oil with TBHQ had lower headspace volatile contents than that without TBHQ. Headspace volatile analysis was more suitable than PV measurement for predicting the oxidative stability of soybean oil during LTRT storage. The contents of hexanal or (E)‐2‐heptenal in the oil at 1–5 days of accelerated storage could be used to predict those of the corresponding compound in the oil at 0–4 weeks of LTRT storage. Copyright © 2005 Society of Chemical Industry
A decomposition algorithm applied to planning the interdiction of stochastic networks
Authors: Held Harald , Hemmecke Raymond , Woodruff David L. 
Published: March 2005

AbstractWe describe the application of a decomposition based solution method to a class of network interdiction problems. The problem of maximizing the probability of sufficient disruption of the flow of information or goods in a network whose characteristics are not certain is shown to be solved effectively by applying a scenario decomposition method developed by Riis and Schultz [Comput Optim Appl 24 (2003), 267–287]. Computational results demonstrate the effectiveness of the algorithm and design decisions that result in speed improvements. © 2005 Wiley Periodicals, Inc. Naval Research Logistics, 2005.
An implicit QR algorithm for symmetric semiseparable matrices
Authors: Vandebril Raf , Van Barel Marc , Mastronardi Nicola 
Published: March 2005

AbstractThe QR algorithm is one of the classical methods to compute the eigendecomposition of a matrix. If it is applied on a dense n × n matrix, this algorithm requires O(n3) operations per iteration step. To reduce this complexity for a symmetric matrix to O(n), the original matrix is first reduced to tridiagonal form using orthogonal similarity transformations.In the report (Report TW360, May 2003) a reduction from a symmetric matrix into a similar semiseparable one is described. In this paper a QR algorithm to compute the eigenvalues of semiseparable matrices is designed where each iteration step requires O(n) operations. Hence, combined with the reduction to semiseparable form, the eigenvalues of symmetric matrices can be computed via intermediate semiseparable matrices, instead of tridiagonal ones.The eigenvectors of the intermediate semiseparable matrix will be computed by applying inverse iteration to this matrix. This will be achieved by using an O(n) system solver, for semiseparable matrices.A combination of the previous steps leads to an algorithm for computing the eigenvalue decompositions of semiseparable matrices. Combined with the reduction of a symmetric matrix towards semiseparable form, this algorithm can also be used to calculate the eigenvalue decomposition of symmetric matrices. The presented algorithm has the same order of complexity as the tridiagonal approach, but has larger lower order terms. Numerical experiments illustrate the complexity and the numerical accuracy of the proposed method. Copyright © 2005 John Wiley & Sons, Ltd.
A kernel free particle‐finite element method for hypervelocity impact simulation
Authors: Park Young‐Keun , Fahrenthold Eric P. 
Published: March 2005

AbstractAn improved hybrid particle‐finite element method has been developed for the simulation of hypervelocity impact problems. Unlike alternative methods, the revised formulation computes the density without reference to any kernel or interpolation functions, for either the density or the rate of dilatation. This simplifies the state space model and leads to a significant reduction in computational cost. The improved method introduces internal energy variables as generalized co‐ordinates in a new formulation of the thermomechanical Lagrange equations. Example problems show good agreement with exact solutions in one dimension and good agreement with experimental data in a three‐dimensional simulation. Copyright © 2005 John Wiley & Sons, Ltd.
Nitrogen transport in float‐zone and Czochralski silicon investigated by dislocation locking experiments
Authors: Murphy J. D. , Giannattasio A. , Senkader S. , Falster R. J. , Wilshaw P. R. 
Published: March 2005

AbstractDislocation locking experiments have been used to investigate nitrogen‐doped float‐zone silicon (NFZ‐Si). Experiments on NFZ‐Si with a nitrogen concentration of 2.2 × 1015 cm–3 were carried out at different annealing temperatures (550–830 °C) for different annealing times (0–1500 hours) and experiments on NFZ‐Si with a nitrogen concentration of 3 × 1014 cm–3 were carried out at 600 °C for 0–1200 hours. After an initial rise, the unlocking stress was found to saturate for all combinations of conditions investigated. The rate of the initial rise was found to be consistent with diffusion by a dimeric nitrogen species. The saturation value of the unlocking stress was found to be dependent on the nitrogen concentration. Experiments were also carried out on nitrogen‐doped Czochralski silicon (NCz‐Si) with an oxygen concentration of 5.74 × 1017 cm–3 and a nitrogen concentration of 2.10 × 1015 cm–3 at 600 °C from 0–5 hours. The dislocation locking due to oxygen appeared to be unaffected by the presence of nitrogen for the conditions investigated. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Scaling factors for the prediction of vibrational spectra. II. The aniline molecule and several derivatives
Authors: Palafox M. Alcolea , Gill M. , Nunez N. J. , Rastogi V. K. , Mittal Lalit , Sharma Rekha 
Published: March 2005

AbstractThe structure of aniline was studied by semiempirical, ab initio, and density functional methods. Complete geometry optimization of the minimum energy structure and of the transition states for internal rotation and inversion of the amino group was carried out using several levels. The performance of the different methods in calculating and describing the vibrational frequencies of aniline was determined. The normal modes were characterized by the magnitudes and direction of the displacement vectors. Three procedures were used to obtain the scaled frequencies, two of them new, using specific scale factors and scaling equations from the benzene molecule. The errors obtained were compared with those calculated through other standard procedures. A reassignment of several bands was made. A comparison of the cost‐effective method and procedure of scaling was carried out. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Luminescent compounds diphenylboron analogs of Alq3 and its methyl substituents: A theoretical investigation of their electronic and spectroscopic properties
Authors: Teng Y. L. , Kan Y. H. , Su Z. M. , Liao Y. , Yan L. K. , Yang Y. J. , Wang R. S. 
Published: March 2005

AbstractThe absorption and emission energies for diphenylboron analogs of Alq3 (Ph2Bq) and its methyl substituents (Ph2Bmq) were systematically investigated at the Zerner's intermediate neglect of differential overlap (ZINDO), configuration interaction singles (CIS), and time‐dependent density functional theory (TD‐DFT) levels of theory. The lowest excited‐state geometries were optimized at the ab initio CIS level. The TD‐DFT method provides the most reliable results for the absorption and emission transition energies, compared with other methods. Moreover, the TD‐DFT calculations reliably estimate the changes of absorption and emission λmax values upon methyl substitution, with errors of 1.2% and 1.8%, respectively. The Stokes shifts are well reproduced by TD‐DFT calculations. Various density functional theory methods have been tested and the B3LYP functional clearly seems to be the best choice for this class of compounds. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Summary of ISO/TC 201 standard: XVIII, ISO 19318:2004—surface chemical analysis—X‐ray photoelectron spectroscopy—Reporting of methods used for charge control and charge correction
Authors: Baer D. R. 
Published: March 2005

AbstractInternational Standard ISO 19318 specifies the minimum amount of information describing the methods of charge control and charge correction in measurements of core‐level binding energies for insulating specimens by x‐ray photoelectron spectroscopy, which is to be reported with the analytical results. Information is also provided on methods that have been found useful for charge control and charge correction in the measurement of binding energies. Copyright © 2005 John Wiley & Sons, Ltd.
Monochromatized x‐ray photoelectron spectroscopy of the AM60 magnesium alloy surface after treatments in fluoride‐based Ti and Zr solutions
Authors: Verdier S. , Delalande S. , van der Laak N. , Metson J. , Dalard F. 
Published: March 2005

AbstractThe behaviour of the 6% aluminium–magnesium alloy (AM60) surface in zirconium or titanium fluoride aqueous acid solutions was studied. X‐ray photoelectron spectroscopy was used to investigate modifications in the surface chemistry with respect to the composition of the surface treatment solution. The surface film is composed of magnesium hydroxide and hydroxyfluoride, zirconium oxide, oxyhydroxide or oxyfluoride, titanium oxide and structural and adsorbed water. Optimal parameters leading to the formation of a zirconium‐ or titanium‐rich film were determined. A mechanism is proposed for the formation of zirconium‐ or titanium‐based films. Copyright © 2005 John Wiley & Sons, Ltd.
Mahanine, a carbazole alkaloid from Micromelum minutum, inhibits cell growth and induces apoptosis in U937 cells through a mitochondrial dependent pathway
Authors: Roy Molay Kumar , Thalang Vipaporn Na , Trakoontivakorn Gassinee , Nakahara Kazuhiko 
Published: March 2005

Mahanine, a naturally occurring carbazole alkaloid in some Asian vegetables, has been shown to exhibit antimutagenicity, antimicrobial activity, cytotoxicity, and other biological properties.
In the present study, we investigated the effect of mahanine on the activation of the apoptotic pathway in human leukemia U937 cells. Various end points were used to screen for apoptosis: Morphological changes in cells, the relative numbers of viable and apoptotic cells; translocation of membrane bound phosphatidylserine and DNA analysis.
We found that mahanine‐induced apoptosis in U937 cells involved activation of caspases, including caspase‐3, release of cytochrome c into cytosol, loss of mitochondrial membrane permeability, and decreased levels of cellular ATP.
Pretreatment of cells with cyclosporine A, prior to/concomitant with exposure to mahanine, effectively prevented the deleterious effects of the alkaloid on cellular integrity and viability.
As mitochondrial permeability is known to be important in the regulation of cytochrome c release, our observations indicate that mitochondria are the principal target of mahanine. More specifically, we propose that mahanine causes the mitochondrial membranes to lose their permeability, resulting in caspase‐3 activation and apoptosis.

British Journal of Pharmacology (2005) 145, 145–155. doi:10.1038/sj.bjp.0706137
The role of nitric oxide synthase in reduced vasocontractile responsiveness induced by prolonged α1‐adrenergic receptor stimulation in rat thoracic aorta
Authors: Gürdal Hakan , Can Alp , Uğur Mehmet 
Published: March 2005

Prolonged exposure (6–12 h) of rat aorta to alpha1‐adrenergic receptor (α1AR) agonist phenylephrine (Phe) leads to a decrease in α1AR‐mediated vasoconstriction. This reduced responsiveness to α1AR stimulation was strongly dependent on the intactness of the endothelium.
We examined the effect of Phe on nitric oxide synthase (NOS) activity by measuring the conversion of [3H]L‐arginine to [3H]L‐citrulline in rat aorta or in endothelial cells isolated from rat aorta. Phe stimulation increased NOS activity in control aortas. This response was antagonized by prazosin. However, Phe increased neither the activity of NOS nor intracellular Ca2+ in the isolated endothelial cells from the control aortas, whereas acetylcholine (Ach) was able to stimulate both responses in these cells. This result suggests that Phe stimulates α1AR on vascular smooth muscle cells and has an indirect influence on endothelial cells to increase NOS activity.
In Phe‐exposed aortic rings, basal NOS activity was found to have increased compared to vehicle‐exposed control rings. Stimulation with Phe or Ach caused a small increase over basal NOS activity in these preparations. Prolonged exposure to Phe also caused an enhancement of Ach‐mediated vasorelaxation in rat aorta.
Immunoblot and reverse transcription–polymerase chain reaction experiments showed that prolonged exposure of rat aorta to Phe resulted in an increased expression of eNOS, but not iNOS. This increase was antagonized by nonselective antagonist prazosin. Immunohistochemical staining experiments also showed that expression of eNOS increased in endothelial cells after Phe exposure of the aortas.
These results, all together, showed that prolonged exposure of rat aorta to α1AR agonist Phe enhanced the expression of eNOS and basal NOS activity, which probably causes a decreased vasocontractile response to Phe or to other agonists such as 5HT (5‐hydroxytryptamine) in rat aorta.
This phenomenon can be considered more as a functional antagonism of vasocontractile response to agonists mediated by endothelium than a specific desensitization of α1AR‐mediated signalling in vascular smooth muscle cells.

British Journal of Pharmacology (2005) 145, 203–210. doi:10.1038/sj.bjp.0706177
Characteristics of attenuated endothelium‐dependent relaxation seen in rabbit intrapulmonary vein following chronic nitroglycerine administration
Authors: Kusama Nobuyoshi , Kajikuri Junko , Watanabe Yoshimasa , Suzuki Yoshikatsu , Katsuya Hirotada , Itoh Takeo 
Published: March 2005

This study was undertaken to determine whether long‐term in vivo administration of nitroglycerine (NTG) downregulates the endothelium‐dependent relaxation induced by acetylcholine (ACh) in the rabbit intrapulmonary vein and, if so, whether the type 1 angiotensin II receptor (AT1R) blocker valsartan normalizes this downregulated relaxation.
In strips treated with the cyclooxygenase inhibitor diclofenac, ACh induced a relaxation only when the endothelium was intact. A small part of this ACh‐induced relaxation was inhibited by coapplication of two Ca2+‐activated K+‐channel blockers (charybdotoxin (CTX)+apamin) and the greater part of the response was inhibited by the nitric‐oxide‐synthase inhibitor Nω‐nitro‐L‐arginine (L‐NNA).
The endothelium‐dependent relaxation induced by ACh, but not the endothelium‐independent relaxation induced by the nitric oxide donor NOC‐7, was significantly reduced in NTG‐treated rabbits (versus those in NTG‐nontreated control rabbits). The attenuated relaxation was normalized by coapplication of valsartan with the NTG.
In the vascular wall, both the amount of localized angiotensin II and the production of superoxide anion were increased by in vivo NTG treatment. These variables were normalized by coapplication of valsartan with the NTG.
It is suggested that long‐term in vivo administration of NTG downregulates the ACh‐induced endothelium‐dependent relaxation, mainly through an inhibition of endothelial nitric oxide production in the rabbit intrapulmonary vein. A possible role for AT1R is proposed in the mechanism underlying this effect.

British Journal of Pharmacology (2005) 145, 193–202. doi:10.1038/sj.bjp.0706178