bluuebunny/crossref_metadata_2025_split huggingface dataset:
Dietary‐feeding of grape seed extract prevents azoxymethane‐induced colonic aberrant crypt foci formation in fischer 344 rats
Authors: Velmurugan Balaiya , Singh Rana P. , Agarwal Rajesh , Agarwal Chapla 
Published: May 2010

AbstractChemoprevention by dietary agents/supplements has emerged as a novel approach to control various malignancies, including colorectal cancer (CRC). This study assessed dietary grape seed extract (GSE) effectiveness in preventing azoxymethane (AOM)‐induced aberrant crypt foci (ACF) formation and associated mechanisms in Fischer 344 rats. Six‐week‐old rats were injected with AOM, and fed control diet or the one supplemented with 0.25% or 0.5% (w/w) GSE in pre‐ and post‐AOM or only post‐AOM experimental protocols. At 16 wk of age, rats were sacrificed and colons were evaluated for ACF formation followed by cell proliferation, apoptosis, and molecular analyses by immunohistochemistry. GSE‐feeding caused strong chemopreventive efficacy against AOM‐induced ACF formation in terms of up to 60% (P < 0.001) reduction in number of ACF and 66% (P < 0.001) reduction in crypt multiplicity. Mechanistic studies showed that GSE‐feeding inhibited AOM‐induced cell proliferation but enhanced apoptosis in colon including ACF, together with a strong decrease in cyclin D1, COX‐2, iNOS, and survivin levels. Additional studies showed that GSE‐feeding also decreased AOM‐caused increase in β‐catenin and NF‐κB levels in colon tissues. Compared to control animals, GSE alone treatment did not show any considerable change in these biological and molecular events in colon, and was nontoxic. Together, these findings show the chemopreventive efficacy of GSE against the early steps of colon carcinogenesis in rats via likely targeting of β‐catenin and NF‐κB signaling, and suggest its potential usefulness for the prevention of human CRC. © 2010 Wiley‐Liss, Inc.
Preparation of gel‐silica/ammonium polyphosphate core‐shell flame retardant and properties of polyurethane composites
Authors: Ni Jianxiong , Chen Lijuan , Zhao Kuiming , Hu Yuan , Song Lei 
Published: May 2010

AbstractA novel intumescent gel‐silica/ammonium polyphosphate core‐shell flame retardant (MCAPP), which contains silicon, phosphorus, and nitrogen, has been prepared by in situ polymerization. The structure of MCAPP was characterized by Fourier transform infrared (FTIR) and X‐ray photoelectron spectroscopy (XPS). The properties of MCAPP were investigated by water solubility, hydrophilicity, and morphological determination. The flame retardancy and thermal stability of polyurethane (PU) composite with MCAPP were evaluated by limiting oxygen index (LOI), UL‐94 test, cone calorimetry, and thermogravimetric analysis (TGA). The results showed that MCAPP could decrease the heat release rate (HRR) and increase the thermal stability of PU materials greatly. Finally, water‐resistant properties of PU/FR composites were also studied. Copyright © 2010 John Wiley & Sons, Ltd.
Metal – Fluorocarbon Pyrolants: XI. Radiometric Performance of Pyrolants Based on Magnesium, Perfluorinated Tetrazolates, and Viton A
Authors: Koch Ernst‐Christian , Hahma Arno , Klapötke Thomas M. , Radies Hendrik 
Published: May 2010

AbstractPyrolants containing magnesium and guanidinium 5‐(perfluoropropyl)‐5H‐tetrazolate (1) and ammonium 5‐(perfluoropropyl)‐5H‐tetrazolate (2) as oxidizers yield superior spectral efficiency compared to MTV. This is assumed to be due to the expansion of the radiating core zone with nitrogen which reduces the optical thickness in comparison to the core zone of MTV. In addition, the exothermal decomposition of the tetrazolate entity favors a burn rate that is dependent on heat feedback from the gas phase and thus proves to be a function of the flame temperature thus facilitating high burn rates at low Mg contents which is contrary to common metal based pyrolants. For part X., see Ref. [25].
NS5‐branes, holography and CFT deformations
Authors: Fotopoulos A. , Petropoulos M.P. , Prezas N. , Sfetsos K. 
Published: May 2010

AbstractA few supergravity solutions representing configurations of NS5‐branes admit exact conformal field theory (CFT) description. Deformations of these solutions should be described by exactly marginal operators of the corresponding theories. We briefly review the essentials of these constructions and present, as a new case, the operators responsible for turning on angular momentum.
Theoretical investigations of polytypism in AlN thin films
Authors: Ito Tomonori , Ito Takumi , Ammi Daisuke , Akiyama Toru , Nakamura Kohji 
Published: May 2010

AbstractThe polytypism in AlN is theoretically investigated using ab initio pseudopotential, empirical interatomic potential, and Monte Carlo simulation. In bulk form, 2H‐AlN is stable without polytypes because of its large energy profit to 3C, 6H, and 4H structures. On the Si(001) substrate, the AlN thin films varies their structures from 3C at the film thickness h ≤ 4 monolayers (MLs) to (0001)‐oriented 2H tilted 5° at the h ≥ 2345 MLs via (0001)‐oriented 2H with two misfit dislocations. This reveals that the large lattice mismatch system destabilizes the metastable 3C‐AlN(001) to make the stable 2H‐AlN appear with different orientation. The 4H‐AlN can be stably formed on the 4H‐SiC(11‐20) under Al‐rich condition, whereas the 2H‐AlN may appear under N‐rich condition. This results from the distinctive behavior of Al (N) after N (Al) pre‐depositions. These results are consistent with experimental findings for the polytypism in AlN thin films grown on various substrates.
Structural and solvent effects on the spectroscopic properties of 1, 8‐naphthalimide derivatives: A density functional study
Authors: Qi Qi , Ha Yongquan , Sun Yueming 
Published: May 2010

AbstractThe molecular structures of 1, 8‐naphthalimide derivatives were investigated at density functional theory level within framework of PBE1PBE/6‐31G*. The vertical ionization potential and their delocalization energy of the X‐ray solid structure and gas‐phase optimized structure were explored. The configuration difference between them was attributed to the π‐π interaction of the solid effect, which has negligible effect on their absorption spectra. Solid effect also weakens the intramolecular interaction. Their absorption and luminescent spectra in gas and solvent phase were calculated by time‐dependent density functional theory (TDDFT) and conductor polarizable continuum models (CPCM)‐TDDFT approaches. Obvious red shifts from the solvent effect were found. Substituents on the imides will not improve their spectra properties a lot, whereas substituents on the naphthalene of naphthalimide would modify their properties to emit different spectra. Systematical deviation of vertical excitation energy from absorption and emission spectra, obtained by CPCM‐PBEPBE/6‐31G* and CIS‐CPCM‐PBEPBE/6‐31G* models, were about 0.05 eV and 0.02 eV compared with the experimental values. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Absorption spectra of recently synthesised organic dyes: A TD‐DFT study
Authors: Jacquemin Denis , Preat Julien , Perpète Eric A. , Adamo Carlo 
Published: May 2010

AbstractWe use a time‐dependent density functional theory approach to investigate the absorption spectra of a panel of organic dyes synthesised and characterised during 2009. Several chemical modifications (solid‐state packing, oxidation, variation of acidity…) are tackled, and both successes and failures of theory are highlighted and discussed. The obtained deviations are compared to the errors reported previously for traditional families of organic dyes. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
A theoretical study of the sulfenate–sulfoxide rearrangement. Effect of the hydrogen bond complexation
Authors: Zborowski Krzysztof K. , Alkorta Ibon , Elguero José 
Published: May 2010

AbstractA DFT study of the thermal and radical sulfenate–sulfoxide rearrangement of derivatives of 3‐propenyl sulfoxide has been carried out. The effect of the substitution and hydrogen bond complexation has been analyzed. The results show that without external factors the radical breakdown path is the one preferred by the alkyl and aromatic derivatives while the unsubstituted system proceeds preferentially through a two‐step series of [1,3]‐ and [2,3]‐sigmatropic shifts. The inclusion of a hydrogen bond donor interacting with the oxygen atom increases the stability of all the species except the radical and the final products. Thus, in the dimethyl derivative the radical and two‐step processes present similar limiting steps. The analysis of the electron density of the systems provides some relationships between the properties at the bond critical point and the interatomic distances for the S···C and H···O cases. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem 110:2391–2397, 2010
Semi‐local density functional for the exchange‐correlation energy of electrons in two dimensions
Authors: Räsänen E. , Pittalis S. , Vilhena J. G. , Marques M. A. L. 
Published: May 2010

AbstractWe present a practical and accurate density functional for the exchange‐correlation energy of electrons in two dimensions. The exchange part is based on a recent two‐dimensional generalized‐gradient approximation derived by considering the limits of small and large density gradients. The fully local correlation part is constructed following the Colle‐Salvetti scheme and a Gaussian approximation for the pair density. The combination of these expressions is shown to provide an efficient density functional to calculate the total energies of two‐dimensional electron systems such as semiconductor quantum dots. Excellent performance of the functional with respect to numerically exact reference data for quantum dots is demonstrated. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Fukui functions for atoms and ions: Polarizability justified approach
Authors: Szarek Paweł , Komorowski Ludwik , Lipiński Józef 
Published: May 2010

AbstractRecently proposed Fukui function has been tested for a collection of atoms and atomic ions. The key point of the analysis is an approximation for the softness kernel, as an extended and parameterized version of the local approximation s(r,r′) = s(r)δ(r − r′). The new Fukui functions lead to exact reproduction of global electronic dipole polarizability and atomic softness. The global hardness calculated with the classic definition using new Fukui functions and the hardness kernel |r − r′|−1 matches the η = I − A value with linear correlation superior to any other published hitherto. Applied approximations for the softness and hardness kernels were proved to be in perfect coherence. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Hydrogen bond complexes of hydantoin: A theoretical study
Authors: Nadvorny Daniela , Da Silva João Bosco P. 
Published: May 2010

AbstractThe chemical compound hydantoin is commonly used in the synthesis of broad‐spectrum medicaments with multiple pharmacological activities. There are several papers in literature describing hydantoin derivates, yet few are related to the isolated molecule. In this work, we have performed B3LYP and MP2 calculations with the 6‐31++G(d,p) basis set in order to obtain the geometric, energetic, and electronic parameters of the isolated hydantoin and its dimers. We have performed a complete energetic analysis of these complexes considering corrections from the basis set superposition error (BSSE) and zero‐point energy (ZPE) approaches. On the basis of these results, we have proposed and tested an additive model which has successfully predicted the complexation energies of larges hydantoin complexes. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
A restrictive condition on approximate forms of the kinetic energy functional of the pair density functional theory
Authors: Higuchi M. , Miyasita M. , Higuchi K. 
Published: May 2010

AbstractBy using the N‐representability condition and the Hohenberg‐Kohn theorem on the pair density (PD), we have derived a property of the kinetic energy functional of the PD functional theory. This property can be regarded as a restrictive condition on approximate forms of the kinetic energy functional, and gives a useful guideline to develop them. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2010
Calculated rotational and vibrational g factors of LiH X 1Σ+ and evaluation of parameters in radial functions from rotational and vibration‐rotational spectra
Authors: Sauer S. P. A. , Paidarová I. , Oddershede J. , Bak K. L. , Ogilvie J. F. 
Published: May 2010

AbstractThe vibrational g factor, that is, the nonadiabatic correction to the vibrational reduced mass, of LiH has been calculated for internuclear distances over a wide range. Based on multiconfigurational wave functions with a large complete active space and an extended set of gaussian type basis functions, these calculations yielded also the rotational g factor, the electric dipolar moment, and its gradient with internuclear distance for LiH in its electronic ground state X 1Σ+. The vibrational g factor gv exhibits a pronounced minimum near internuclear distance R = 3.65 × 10−10 m; the derivative of electric dipolar moment and the nonadiabatic matrix element coupling the electronic ground state to the first electronically excited state exhibit extrema near the same location that is also near the avoided crossing of the curves for potential energy for the electronic ground state and excited state A 1Σ+. The irreducible contribution g(R) to the rotational g factor increases monotonically over the calculated domain, whereas the irreducible contribution g(R) to the vibrational g factor has a minimum at the same location as that of gv itself. From these calculated radial functions, we derived values of the rotational g factor and electric dipolar moment for LiH in vibrational states v = 0 and 1, and the corresponding rotational dependences, in satisfactory agreement with experimental values. These calculated data of rotational g factor served as constraints in new fits of 1000 vibration‐rotational spectral data of LiH in four isotopic variants, which yield estimates of adiabatic corrections for comparison with published data and of the vibrational g factor for comparison with our calculated results. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
Global stabilization of a class of upper‐triangular systems with unbounded or uncontrollable linearizations
Authors: Ding Shihong , Qian Chunjiang , Li Shihua , Li Qi 
Published: May 2010

AbstractIn this paper, we consider the problem of global stabilization for a class of upper‐triangular systems which have unbounded or uncontrollable linearizations around the origin. The explicit formula of the control law is designed in two steps: First, we use the generalized adding a power integrator technique to design a homogeneous controller which locally stabilizes the upper‐triangular systems. Then, we integrate a series of nested saturation functions with the homogeneous controller and adjust the saturation level to ensure global asymptotic stability of the closed‐loop systems. Owing to the versatility of the generalized adding a power integrator technique, our controller not only can be used to stabilize more general upper‐triangular systems by relaxing the current conditions used in existing results, but also is able to lead to a stronger result of finite‐time stabilization under appropriate conditions. Copyright © 2010 John Wiley & Sons, Ltd.
An algorithmic mitigation of large spurious interprocedural cycles in static analysis
Authors: Oh Hakjoo , Yi Kwangkeun 
Published: May 2010

AbstractWe present a simple algorithmic extension of the approximate call‐strings approach to mitigate substantial performance degradation caused by spurious interprocedural cycles. Spurious interprocedural cycles are, in a realistic setting, the key reasons for why approximate call‐return semantics in both context‐sensitive and ‐insensitive static analysis can make the analysis much slower than expected. In the approximate call‐strings‐based context‐sensitive static analysis, because the number of distinguished contexts is finite, multiple call‐contexts are inevitably joined at the entry of a procedure and the output at the exit is propagated to multiple return‐sites. We found that these multiple returns frequently create a single large cycle (we call it ‘butterfly cycle’) covering almost all parts of the program and such a spurious cycle makes analyses very slow and inaccurate. Our simple algorithmic technique (within the fixpoint iteration algorithm) identifies and prunes these spurious interprocedural flows. The technique's effectiveness is proven by experiments with a realistic C analyzer to reduce the analysis time by 7–96%. As the technique is algorithmic, it can be easily applicable to existing analyses without changing the underlying abstract semantics, it is orthogonal to the underlying abstract semantics' context‐sensitivity, and its correctness is obvious. Copyright © 2010 John Wiley & Sons, Ltd.
Dynamic rheological properties of rice flour‐starch blends
Authors: Oh Jun‐Hwan , Kim Mi‐Jung , Yoo Byoungseung 
Published: May 2010

AbstractThe dynamic rheological properties of blends of rice flour (RF) with six different commercial starches (sweet potato starch, potato starch, tapioca starch, waxy corn starch, hydroxypropylated potato starch, and hydroxypropylated tapioca starch) were evaluated. The magnitudes of storage modulus (G′) of all blend samples were higher than those of loss modulus (G′′) over most of the frequency range (0.63–62.8 rad · s−1). In general, the dynamic moduli results of all blend samples showed that changes in G′ values were relatively greater than changes in G″ values after adding the starches when compared to RF. tan δ (ratio of G′′/G′) values (0.21–0.22) of the RF‐potato starch and RF‐hydroxypropylated potato starch blends were much lower than those (0.25–0.33) of other blends and RF, indicating that there is a more pronounced synergistic effect on the elastic properties of RF‐starch blend systems in the presence of potato starches.
Direct conversion of starch to hydroxymethylfurfural in the presence of an ionic liquid with metal chloride
Authors: Chun Jae‐An , Lee Jin‐Woo , Yi Young‐Byung , Hong Seong‐Sig , Chung Chung‐Han 
Published: May 2010

AbstractStarch can be exploited as an abundant resource for sustainable production of diverse chemical intermediates such as hydroxymethylfurfural (HMF). We present a simple process of producing HMF from starches using an ionic liquid, 1‐octyl‐3‐methylimidazolium chloride ([OMIM]Cl), and CrCl2 catalyst. The addition of HCl and CrCl2 significantly affected the yields of HMF on the whole. CrCl2 increased the yields of HMF by approximately two‐folds on average. The synthesis of HMF was most effective between 60 and 90 min reaction time at both concentrations of 0.3 and 0.5 M HCl. Starch concentration had influence on the productivity of HMF. At 20% starch concentration with 0.3 and 0.5 M HCl, its productivity was greatest (2.8 folds high). Eight starch sources (corn, wheat, rice, potato tuber, sweet potato, tapioca, acorn, and kudzu starch) were tested for the synthesis of HMF. The highest yields of HMF (73.0 ± 3.8 wt%) were obtained in tapioca starch dissolved in 0.5 M HCl.
NCTU‐VT: a freeware for wireless VoIP performance measurement
Authors: Sung Ya‐Chin , Lin Yi‐Bing , Liou Ren‐Huang , Shieh Lon‐Fon 
Published: May 2010

AbstractVoice over IP (VoIP) is a promising low‐cost voice communication over the wireless IP network. To provide satisfactory VoIP services, the Quality of Service (QoS) of the wireless network should be guaranteed. This paper proposes a VoIP performance measurement freeware called NCTU VoIP Testing Tool (NCTU‐VT). We compare NCTU‐VT with two commercial tools SmartVoIPQoS and IxChariot in terms of packet loss, latency, and Mean Opinion Score (MOS) of the VoIP sessions in Wi‐Fi network. Our study indicates that these three tools can accurately measure VoIP performance in Wi‐Fi environment. Copyright © 2010 John Wiley & Sons, Ltd.
On the generalized Helmholtz conditions for Lagrangian systems with dissipative forces
Authors: Crampin M. , Mestdag T. , Sarlet W. 
Published: May 2010

AbstractIn two recent papers necessary and sufficient conditions for a given system of second‐order ordinary differential equations to be of Lagrangian form with additional dissipative forces were derived. We point out that these conditions are not independent and prove a stronger result accordingly.
Approximation of finite rigid body motions from velocity fields
Authors: Müller A. 
Published: May 2010

AbstractIt is well‐known that there is no integrable relation between the twist of a rigid body and its finite motion. Moreover, the reconstruction of the body's motion requires to solve a set of differential equations on the rigid body motion group. This is usually avoided by introducing local parameters (e.g. Euler angles) so that the problem becomes an ordinary differential equation on a vector space (e.g. kinematic Euler equations). In this paper the original problem on the motion group is treated. A family of approximation formulas is presented that allow reconstructing large rigid body motions from a given velocity field up to a desired order, where a k‐th order reconstruction requires the first k ‐ 1 time derivatives of the velocity. Such reconstruction formulas could be used whenever the velocity field is accessible. As an example the formulas are applied to the rotation update in a momentum preserving time stepping scheme for the dynamic Euler equations.
Changes in the surgical approach to hilar cholangiocarcinoma during an 18‐year period in a Western single center
Authors: Ercolani Giorgio , Zanello Matteo , Grazi Gian Luca , Cescon Matteo , Ravaioli Matteo , Del Gaudio Massimo , Vetrone Gaetano , Cucchetti Alessandro , Brandi Giovanni , Ramacciato Giovanni , Pinna Antonio Daniele 
Published: May 2010

AbstractBackgroundLiver resection is the only potential curative treatment for hilar cholangiocarcinoma. In this article, we evaluate mortality, survival, prognostic factors, and changes in surgical approach during the last two decades at a Western hepato‐biliary center.MethodsFifty‐one patients undergoing liver resections constitute the study population. Patients undergoing palliative procedures were considered as a control group for comparison to the resected group. After 1997, a more aggressive surgical approach was applied that is based on the experience of Japanese surgeons.ResultsCurative resections were achieved in 37 (72.5%) patients, and R1 resections were performed in 14 (27.5%). The overall 3‐ and 5‐year survival rates were 47.3 and 34.1%, respectively. The 3‐ and 5‐year survival rates were 38 and 19% in the R1 resection group, and 15% and 0 in the non‐resected group, respectively. Univariate analysis revealed that lymph node and perineural invasion, R1 resection, and a bilirubin level >10 mg/dl affected long‐term survival. Multivariate analysis showed that only perineural invasion was significant in affecting long‐term survival. Univariate analysis showed that the mean preoperative bilirubin levels and mean blood transfusion were related to the mortality rate. The resectability rate significantly increased from 25 to 75.6% after 1997 following implementation of the new surgical approach.ConclusionsAn aggressive surgical approach increases the resectability rate and may improve long‐term survival even after R1 resection. Severe hyperbilirubinemia should be preoperatively drained, possibly by the percutaneous approach.