bluuebunny/crossref_metadata_2025_split huggingface dataset:
Comparison of Raman spectroscopic methods for the determination of supercooled and liquid water temperature
Authors: Risović Dubravko , Furić Krešimir 
Published: May 2005

AbstractRaman spectroscopy provides an efficient method for non‐contact determination of liquid water temperature with high spatial resolution. It can be also used for remote in situ determination of subsurface water temperature. The method is based on temperature‐dependent changes of the molecular OH stretching band in the Raman spectra of liquid water. These in turn are attributed to a decrease in intermolecular hydrogen‐bonding interactions with increase in temperature. Here, the results of an experimental study employing three different approaches in the determination of temperature from recorded OH stretching band in the Raman spectra of liquid and supercooled water are presented and discussed. The first two methods are based on deconvolution of the spectral band into Gaussian components whose intensities and associated specific spectral markers are temperature dependent, and the third approach is based on Raman difference spectroscopy (RDS). The presented measurements were conducted on distilled and deionized supercooled and liquid water in the temperature range between −12.5 and +32.5 °C. The results are compared in terms of linearity of response, sensitivity and accuracy. It is shown that the method based on RDS even in the supercooled temperature range provides better accuracy (the standard deviation from the true temperature is ±0.4 K) and linearity in temperature determination than more complicated methods based on Gaussian deconvolution of the OH stretching band. Copyright © 2005 John Wiley & Sons, Ltd.
Raman tensor and selection rules for a chemical vapor transport‐grown chalcopyrite single crystal
Authors: Zhang Wendong , Sang Shengbo , Xue Chenyang , Papadimitriou Dimitra 
Published: May 2005

AbstractThis paper reports on the Raman tensor and selection rules of a chemical vapor transport (CVT)‐grown CuGaSe2 single crystal. CVT‐CuGaSe2 has a hollow needle‐like shape with two flat faces of unequal area, (110) and (112), which involve different systems of coordinates. In order to study the Raman spectra of these systems, we probed the theory of Raman tensors and Raman selection rules. Using the MATLAB program, we calculated the Raman tensor of CuGaSe2 (D2d) and other point groups in different orthogonal systems. In addition, by applying the selection rules for Raman scattering to the observation of phonon modes from the (110) and (112) faces of CuGaSe2, we were able to assign the Raman modes at 187, 84 and 68 cm−1, which were in accord with the literature. Additionally, we found some new Raman modes. Copyright © 2005 John Wiley & Sons, Ltd.
Iridium(III) Complexes with PEO and PS Polymer Macroligands and Light‐Emitting Properties: Synthesis and Characterization
Authors: Holder Elisabeth , Marin Veronica , Kozodaev Dmitry , Meier Michael A. R. , Lohmeijer Bas G. G. , Schubert Ulrich S. 
Published: May 2005

AbstractSummary: On the basis of terpyridine functionalized poly(ethylene oxide) (PEO) and poly(styrene) (PS), a series of light‐emitting iridium(III) compounds was effectively synthesized. The respective iridium(III) target compounds were prepared by grafting chloro‐bridged precursor complexes [Ir(ppy)2‐μ‐Cl]2 (ppy = phenylpyridine) and [Ir(ppy‐CHO)2‐μ‐Cl]2 (ppy‐CHO = 4‐(2‐pyridyl)benzaldehyde) onto terpyridine functionalized PEO and PS tails. 1D and 2D NMR characterization was performed revealing the expected resonances. Gel permeation chromatography (GPC) proved the stability and purity of the targeted materials. Preliminary investigations of the light‐emitting properties were carried out by standard methods such as UV‐vis and steady‐state luminescence spectroscopy. The morphology and the quality of films of these iridium(III) compounds were furthermore investigated using AFM. Improved stability on the electrode surface was illustrated using cyclic voltammetry. One of the polymer materials was compared to the neat complex, which showed quick degradation.Green and orange light‐emitting iridium(III) complexes with two cyclometalating ligands and one terpyridine ligand with PS tails.magnified imageGreen and orange light‐emitting iridium(III) complexes with two cyclometalating ligands and one terpyridine ligand with PS tails.
Liquid chromatography‐electron ionization mass spectrometry: Fields of application and evaluation of the performance of a Direct‐EI interface
Authors: Cappiello Achille , Famiglini Giorgio , Palma Pierangela , Siviero Antonella 
Published: May 2005

AbstractA comprehensive evaluation and a thorough discussion of the fields of possible applications of the Direct‐EI interface are described in this review. Direct‐EI allows the direct introduction of the effluent from a capillary HPLC column into the electron ionization (EI) ion source of a mass spectrometer. Thanks to the reduced liquid intake and an in‐source nebulizer, the interfacing process occurs smoothly and entirely into the ion source. No intermediate interfacing mechanisms of any sort are interposed between the column and the mass spectrometer, thus circumventing any undesired sample loss and minimizing the effort for instrument modification. Theoretically, any GC‐MS system can be converted into an LC‐MS for EI amenable compounds. Several parameters, crucial for a successful integration of liquid chromatography and mass spectrometry, have been considered in the evaluation of the functioning of such an interface: limit of detection, linearity of response, reproducibility, and chromatographic compatibility. Different mobile phases, also containing non‐volatile buffers, were taken into account, demonstrating an outstanding separation flexibility. The entire set of experiments was carried out at different flow rates and temperatures of the ion source. The interface behavior was also tested in real world applications, with mixtures of pesticides, hormones, nitro‐PAH, and endocrine‐disrupting compounds, allowing picogram level detection and the possibility to record library‐matchable, readily interpretable electron ionization mass spectra, for prompt compound characterization and confirmation. © 2005 Wiley Periodicals, Inc., Mass Spec Rev 24:978–989, 2005
A marker method for the solution of the damped Burgers' equation
Authors: Lewandowski Jerome L. V. 
Published: May 2005

AbstractA new method for the solution of the damped Burgers' equation is described. The marker method relies on the definition of a convective field associated with the underlying partial differential equation; the information about the approximate solution is associated with the response of an ensemble of markers to this convective field. Some key aspects of the method, such as the selection of the shape function and the initial loading, are discussed in some details. The marker method is applicable to a general class of nonlinear dispersive partial differential equations. © 2005 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2006
Additive Schwarz‐type preconditioners for fourth‐order elliptic problems using Hermite cubic splines
Authors: Liu Song‐Tao 
Published: May 2005

AbstractIn this note, we construct the additive Schwarz‐type preconditioner for fourth‐order elliptic problems with nested subspaces from Hermite cubic splines. We prove that after the preconditioning, the system is well conditioned. The numerical evidence strongly supports our theoretical result. © 2005 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2006
Stimuli‐responsive reversible physical networks. II. Design and properties of homogeneous physical networks consisting of periodic copolymers synthesized by living cationic polymerization
Authors: Yoshida Tomohide , Kanaoka Shokyoku , Watanabe Hiroshi , Aoshima Sadahito 
Published: May 2005

AbstractThe design and precision synthesis of physical networks consisting of copolymers with crystallizable pendant groups are described in this work. Amphiphilic periodic, statistical, and gradient copolymers consisting of octadecyl vinyl ether (ODVE) units were synthesized via living cationic polymerization. The synthesis involved the copolymerization of ODVE and 2‐methoxyethyl vinyl ether (hydrophilic) with an 1‐(isobutoxy)ethyl acetate [CH3CH(OiBu)OCOCH3]/Et1.5AlCl1.5 initiating system in the presence of a weak Lewis base to yield copolymers with very narrow molecular weight distributions (weight‐average molecular weight/number‐average molecular weight ⋍ 1.2). All aqueous solutions of the copolymers behaved as a viscous liquid above 50 °C. When cooled below 25 °C, the solutions turned into transparent, transient physical gels (exhibiting terminal flow), regardless of the sequence distribution. Viscoelastic studies showed that a periodic copolymer gave a hard gel that was more brittle than the gels obtained from the corresponding statistical and gradient copolymers. This difference and the differences in the relaxation time and relaxation mode distribution of the copolymer gels were consistent with the sequence distributions of ODVE in the respective copolymers. These results indicate that the mechanical properties of a physical network can be controlled by the primary polymer structures. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 2712‐2722, 2005
Hyperbranched polymers—All problems solved after 15 years of research?
Authors: Voit Brigitte 
Published: May 2005

AbstractFifteen years of research on hyperbranched polymers in the group of Brigitte Voit are described, with a focus first on hyperbranched polyester synthesis and then on the addition and cycloaddition reactions used for the preparation of the hyperbranched structure. The characterization of structural details and bulk, solution, and thin‐film properties is highlighted, and steps toward the elucidation of a general property profile of hyperbranched polymers are discussed. Some effects of hyperbranched polymers in reactive formulations and blends and in thin films are addressed that can lead to applications in coatings, as additives, and in microelectronics or sensorics. The great progress possible in the last years is shown, but open questions and unsolved problems are also pointed out. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 43: 2679–2699, 2005
Effects of guest microparticles on the swelling behavior of polyacrylamide gels
Authors: Suzuki A. , Okabe N. , Suzuki H. 
Published: May 2005

AbstractWe report the effects of guest particles on the swelling properties of bulk polyacrylamide gels. The guest particles were the spheres of poly(N‐isopropylacrylamide) gel with submicrometer diameter, which were synthesized by an emulsion‐polymerized reaction in water. Polyacrylamide gels were prepared by a free radical polymerization reaction, immobilizing the gel microparticles with different concentrations at gelation. The macroscopic swelling ratio of this hybrid gel in a cylindrical shape was measured as functions of temperature and acetone concentration. The presence of guest particles was found to strongly affect the swelling behavior in the bulk gels when the concentration of incorporated particles exceeded a threshold. The experimental results indicated that the macroscopic volume in response to the temperature change should be determined by the guest particles above the threshold. On the other hand, the hybrid gel could not evidently shrink by adding acetone when the concentration of guest particles exceeded the threshold. To make clear the distribution of guest particles in the bulk networks, the fractured surfaces of dried gels were imaged by tapping mode atomic force microscopy. The guest particles were found to aggregate in the bulk homogeneous networks to form microdomains with densely connected structure, which became larger with increasing particle concentration. The roles of bulk networks as well as guest particles on the swelling behavior of hybrid gels were qualitatively discussed on the basis of the incorporated structure of guest particles, depending on the concentration of guest particles. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 43: 1696–1704, 2005
Effect of LDPE on the thermomechanical properties of LLDPE‐based films
Authors: Niaounakis M. , Kontou E. 
Published: May 2005

AbstractThe present study compares the properties of five films: one film of low‐density polyethylene (LDPE), two films of linear low density polyethylenes (1‐octene comonomer)—one made by metalllocene catalyst (mLLDPE) and the other by Ziegler–Natta (zLLDPE)—and two blend films, one of mLLDPE/LDPE (film A) and the other of zLLDPE/LDPE (film B). The effect of LDPE (22% by weight) on the thermomechanical properties of LLDPE‐based films is investigated by using differential scanning calorimetry (DSC), dynamic mechanical analysis (DMA), and stress‐strain in the yield region measurements. The mechanical, dynamic, and thermal properties of film A are quite similar to a single component system (mLLDPE). The addition of this amount of LDPE does not affect the melting temperature of mLLDPE but it enhances its crystallinity. Film B is a rather inhomogeneous material, as opposed to film A, and its properties seem to be dependent on stretching conditions. Furthermore, the thermally activated rate process (Eyring's theory) is applied to analyze the yielding behavior of the two blend films. Double yielding manifested by film B is described with two thermally activated processes, while film A is satisfactorily described by a single process. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 43: 1712–1727, 2005
Preparation of submicron‐scale, electrospun cellulose fibers via direct dissolution
Authors: Kim Choo‐Won , Frey Margaret W. , Marquez Manuel , Joo Yong Lak 
Published: May 2005

AbstractCellulose nonwoven mats of submicron‐sized fibers (150 nm–500 nm in diameter) were obtained by electrospinning cellulose solutions. A solvent system based on lithium chloride (LiCl) and N,N‐dimethylacetamide (DMAc) was used, and the effects of (i) temperature of the collector, (ii) type of collector (aluminum mesh and cellulose filter media), and (iii) postspinning treatment, such as coagulation with water, on the morphology of electrospun fibers were investigated. The scanning electron microscopy (SEM) and X‐ray diffraction studies of as‐spun fibers at room temperature reveal that the morphology of cellulose fibers evolves with time due to moisture absorption and swelling caused by the residual salt and solvent. Although heating the collector greatly enhances the stability of the fiber morphology, the removal of salt by coagulation and DMAc by heating the collector was necessary for the fabrication of dry and stable cellulose fibers with limited moisture absorption and swelling. The presence and removal of the salt before and after coagulation have been identified by electron microprobe and X‐ray diffraction studies. When cellulose filter media is used as a collector, dry and stable fibers were obtained without the coagulation step, and the resulting electrospun fibers exhibit good adhesion to the filter media. © 2005 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 43: 1673–1683, 2005
Critical buckling load of paper honeycomb under out‐of‐plane pressure
Authors: Lu Li‐Xin , Sun Ya‐Ping , Wang Zhi‐Wei 
Published: May 2005

AbstractTwo out‐of‐plane buckling criteria for paper honeycomb are proposed by analysing the structure properties and the collapse mechanism of paper honeycomb: these are based on the peeling strength and ring crush strength of the chipboard wall. Taking into account the orthotropic, initial deflection and large deflection properties of the chipboard wall, the two new mechanical models and the calculation methods are developed to represent the out‐of‐plane critical load of paper honeycomb. Theoretical calculations and test results show that the models are suitable for describing the collapse mechanism of paper honeycomb. The peeling strength and ring crush strength determine the critical buckling load of paper honeycomb in different stretch phases. The out‐of‐plane critical buckling load can be predicted when the two models are integrated. Copyright © 2005 John Wiley & Sons, Ltd.
Multireference Brillouin–Wigner coupled cluster (MR‐BWCC) theory applied to the H8 model: Comparison with CCSD(T) theory
Authors: Hubač I. , Mach P. , Wilson S. 
Published: May 2005

AbstractMultireference Brillouin–Wigner coupled cluster theory is applied to the H8 model, a model in which the degree of quasidegeneracy is a function of a single geometrical parameter a. Using a 6‐31G basis set, multireference Brillouin–Wigner coupled cluster theory (MR‐BWCC) is applied to the H8 model as a function of a both with and without an a posteriori correction for the lack of extensivity. The resulting potential energy curve is compared with the corresponding curve obtained by the application of single reference CCSD theory (“coupled cluster singles and doubles”), and with the curve obtained after adding a perturbative estimate of the triple excitation energy component, CCSD(T). The MR‐BWCCSD, CCSD, and CCSD(T) curves are also compared with the full configuration interaction (FCI) curve defining the exact solution within the chosen basis set. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
NLO response of polymethineimine and polymethineimine/polyacetylene conformers: Assessment of electron correlation effects
Authors: Jacquemin Denis , Perpète Eric A. , André Jean‐Marie 
Published: May 2005

AbstractWe have studied, at the second‐order Møller–Plesset level of approximation with the 6‐31G(d) atomic basis set, the electron correlation effects on the first hyperpolarizability of increasingly long polymethineimine oligomers and alternating polymethineimine/polyacetylene copolymers showing different conformations. Both the direct (i.e., electronic) and indirect (i.e., geometric) electron correlation contributions are large and should consequently be accounted for, even for qualitative purposes. The electron correlation effects are both conformation and chain length dependent. Long alternating polymethineimine/polyacetylene copolymers present a very large first hyperpolarizabilities, especially in the all‐trans conformation. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005
Implementation strategy and performance outcomes in related diversification
Authors: Shayne Gary Michael 
Published: May 2005

AbstractStrategy research has a long‐standing interest in the performance consequences of corporate diversification. In theory, resource sharing should yield economic benefits in related multi‐business firms, but the extensive empirical research remains equivocal. To explore this paradox, this paper examines the process of implementing a related diversification strategy. Working from existing theory, a formal model is constructed that describes the process and performance implications of a related diversification move. The model is analyzed using computer simulation, and the analysis suggests that successful diversification strategies require managerial policies that maintain organization slack. In the absence of such policies, related diversification can negatively impact firm performance even when substantial synergy opportunities exist. The analysis also demonstrates, contrary to existing theory, that diversification strategies based on a very high degree of relatedness can lead to lower performance than less related strategies in some circumstances. Counter‐intuitively, extracting potential synergies may require additional investment in shared resources. Copyright © 2005 John Wiley & Sons, Ltd.
Strategic leadership and executive innovation influence: an international multi‐cluster comparative study
Authors: Elenkov Detelin S. , Judge William , Wright Peter 
Published: May 2005

AbstractThis study investigates the relationship of strategic leadership behaviors with executive innovation influence and the moderating effects of top management team (TMT)'s tenure heterogeneity and social culture on that relationship. Using survey data from six countries comprising three social cultures, strategic leadership behaviors were found to have a strong positive relationship with executive influence on both product–market and administrative innovations. In addition, TMT tenure heterogeneity moderated the relationship of strategic leadership behaviors with executive innovation influence for both types of innovation, while social culture moderated that relationship only in the case of administrative innovation. Copyright © 2005 John Wiley & Sons, Ltd.
Breastfeeding experience in inborn errors of metabolism other than phenylketonuria
Authors: Huner G. , Baykal T. , Demir F. , Demirkol M. 
Published: May 2005

SummaryBreastfeeding has been recommended for the dietary treatment of infants with phenylketonuria, but studies documenting clinical experience in other inborn errors of metabolism are very few. Seven infants diagnosed with methylmalonyl‐CoA mutase deficiency (n=2), ornithine carbamoyltransferase deficiency (n=1), propionic acidaemia (n=1), isovaleric acidaemia (n=1), maple syrup urine disease (n=1) and glutaric acidemia type I (n=1) were tried with breastfeeding over two years. After the control of acute metabolic problems, an initial feeding period with a measured volume of expressed breast milk plus a special essential amino acid mixture was continued with breastfeeding on demand and with the addition of a special essential amino acid mixture. Two patients with methylmalonic acidaemia and one patient with glutaric acidaemia type I tolerated breastfeeding on demand very well, with good growth and metabolic control for periods of 18, 8 and 5 months, respectively. In the patient with propionic acidaemia, on‐demand breastfeeding continued for 3 months but was terminated after two acute metabolic episodes. The patient with isovaleric acidaemia had insufficiency of breast milk and formula supplementation ended with breast milk cessation. In the patient with severe ornithine carbamoyltransferase deficiency, breastfeeding was stopped owing to poor metabolic control. The patient with maple syrup urine disease also experienced problems, both in metabolic control and in insufficiency of breast milk, resulting in termination of breastfeeding. Breastfeeding of infants with inborn errors of protein catabolism is feasible, but it needs close monitoring with attention to such clinical parameters as growth, development and biochemistry, including amino acids, organic acids and ammonia.