bluuebunny/crossref_metadata_2025_split huggingface dataset:
Experimental and theoretical investigation of vibrational spectra of copper phthalocyanine: polarized single‐crystal Raman spectra, isotope effect and DFT calculations
Authors: Basova Tamara V. , Kiselev Vitaly G. , Schuster Britt‐Elfriede , Peisert Heiko , Chassé Thomas 
Published: July 2009

AbstractThe IR‐ and Raman spectra of copper phthalocyanine (CuPc), as well as the isotopic wavenumber shifts upon 15N substitution in CuPc, were investigated experimentally and theoretically. The symmetry of molecular vibrations was determined using polarized Raman spectra of an oriented CuPc single crystal. Density functional theory (DFT) calculations were used for the detailed assignment of different bands in the vibrational spectra of CuPc. Theoretically predicted geometry, wavenumbers and isotopic shifts are in a very good agreement with the experimental values. A comparison of experimentally obtained isotopic shifts with theoretical predictions allowed us to reveal some characteristic features of normal vibrations of CuPc molecule. Copyright © 2009 John Wiley & Sons, Ltd.
The effects of laser irradiation of cartilage on chondrocyte gene expression and the collagen matrix
Authors: Holden Paul K. , Li Chao , Da Costa Victor , Sun Chung‐Ho , Bryant Susan V. , Gardiner David M. , Wong Brian J.F. 
Published: July 2009

AbstractObjectivesLaser reshaping of cartilage is an emerging technology aimed at replacing conventional techniques for aesthetic and reconstructive surgery. Little is known about the mechanisms of wound healing following the photothermal heating during laser reshaping and, ultimately, how collagen remodels in the irradiated tissue. Healthy hyaline and elastic cartilage as found in the ear, nose, larynx, and trachea does not express collagen type I which is characteristic of fibro‐cartilage and scar tissue. The aim of the study was to determine if collagen I and II gene expression occurs within laser irradiated rabbit septal cartilage.MethodsNasal septum harvested from freshly euthanized New Zealand White rabbits were irradiated with an Nd:YAG laser. After 2 weeks in culture, the laser spot and surrounding non‐irradiated regions were imaged using immunofluorescence staining and evaluated using reverse transcription polymerase chain reaction (RT‐PCR) to determine the presence of collagen I and II, and ascertain collagen I and II gene expression, respectively.ResultsAll laser irradiated specimens showed a cessation in collagen II gene expression within the center of the laser spot. Collagen II was expressed in the surrounding region encircling the laser spot and within the non‐irradiated periphery in all specimens. Immunohistochemistry identified only type II collagen. Neither collagen I gene expression nor immunoreactivity were identified in any specimens regardless or irradiation parameters.ConclusionsLaser irradiation of rabbit septal cartilage using dosimetry parameters similar to those used in laser reshaping does not result in the detection of either collagen I gene expression or immunoreactivity. Only collagen type II was noted after laser exposure in vitro following cell culture, which suggests that the cellular response to laser irradiation is distinct from that observed in conventional wound healing. Laser irradiation of cartilage can leave an intact collagen matrix which likely allows chondrocyte recovery on an intact scaffold. Lasers Surg. Med. 41:487–491, 2009. © 2009 Wiley‐Liss, Inc.
Preparation of Glycogen‐Based Polysaccharide Materials by Phosphorylase‐Catalyzed Chain Elongation of Glycogen
Authors: Izawa Hironori , Nawaji Mutsuki , Kaneko Yoshiro , Kadokawa Jun‐ichi 
Published: July 2009

AbstractFacile preparation of glycogen‐based polysaccharide gel materials was carried out by phosphorylase‐catalyzed chain elongation of glycogen using glucose 1‐phosphate (Glc‐1‐P). The resulting solution after the enzymatic reaction gradually turned into a hydrogel form, which was probably caused by formation of junction zones based on the double helix structure of the elongated amylose chains among the glycogen molecules. Furthermore, lyophilization of the hydrogel resulted in formation of a glycogen‐based xerogel. The mechanical properties of the hydrogels and xerogels were affected by the amount of glycogen and the Glc‐1‐P/glycogen ratio in the feed for the enzymatic reaction. The xerogel was also subjected to film formation and re‐hydrogelation with appropriate techniques.magnified image
Entropically Driven Self‐Assembly of Lysinibacillus sphaericus S‐Layer Proteins Analyzed Under Various Environmental Conditions
Authors: Teixeira Leonardo Maestri , Strickland Aaron , Mark Sonny S. , Bergkvist Magnus , Sierra‐Sastre Yajaira , Batt Carl A. 
Published: July 2009

AbstractS‐Layer proteins are an example of bionanostructures that can be exploited in nanofabrication. In addition to their ordered structure, the ability to self‐assembly is a key feature that makes them a promising technological tool. Here, in vitro self‐assembly kinetics of SpbA was investigated, and found that it occurs at a rate that is dependent on temperature, its concentration, and the concentration of calcium ions and sodium chloride. The activation enthalpy (120.81 kJ · mol−1) and entropy (129.34 J · mol−1 · K−1) obtained infers that the incorporation of monomers incurs in a net loss of hydrophobic surface. By understanding how the protein monomers drive the self‐assembly at different conditions, the rational optimization of this process was feasible.magnified image
Branched Versus Linear Polyisoprene: Flory–Huggins Interaction Parameters for their Solutions in Cyclohexane
Authors: Eckelt John , Samadi Fatemeh , Wurm Frederik , Frey Holger , Wolf Bernhard A. 
Published: July 2009

AbstractFlory‐Huggins interaction parameters were determined as a function of composition for solutions of linear and of branched polyisoprene in cyclohexane (CH) at 25, 45, and 65 °C by means of vapor pressure measurements (moderate to concentrated solutions) and by vapor pressure osmometry (dilute solutions). The results demonstrate that CH is a considerably worse solvent for branched polyisoprene than for the linear analog at all temperatures and at all compositions. This observation corroborates the expectation based on a recent phenomenological approach, which accounts explicitly for the incapability of the segments of an individual polymer molecule to spread out over the entire volume of the system and for its ability to adjust its chain conformation to an altering molecular environment.magnified image
3‐Ethylated N‐Vinyl‐2‐pyrrolidone with LCST Properties in Water
Authors: Trellenkamp Taina , Ritter Helmut 
Published: July 2009

AbstractThe monomer 3‐ethyl‐1‐vinyl‐2‐pyrrolidone (3) and the homopolymer poly(3‐ethyl‐1‐vinyl‐2‐pyrrolidone) (5) have been synthesized. Polymer 5 is soluble in water and shows a critical temperature (Tc) of 27 °C. The presence of cyclodextrin causes a slight shift of the Tc. The lower critical solution temperature (LCST) could be varied between 27 and 40 °C by copolymerization with N‐vinyl‐2‐pyrrolidone. A linear correlation between the Tc and the copolymer composition is observed.magnified image
Influence of Cross‐Linking Density on the Glass Transition and Structure of Chemically Cross‐Linked PVA: A Molecular Dynamics Study
Authors: Bermejo Javier Sacristan , Ugarte Carmen Mijangos 
Published: July 2009

AbstractMechanical properties and glass transitions of cross‐linked polymer networks depend strongly on both the network topology and cross‐linking density. A model is developed using a dynamic cross‐linking approach based on a cutoff distance criterion followed by a high‐temperature annealing procedure. The analysis focused on on the influence of cross‐linking degree on chain packing and hydrogen‐bond structure and on the roles played by various energy components in the glass transition process. Tg was calculated using two different methods; (i) from the intersection of lines drawn through points in a plot of specific volume versus temperature and (ii) from plots of different molecular energy components as a function of temperature.magnified image
Temperature dependence of the 1J(11B19F) spin–spin coupling in BF3 molecule
Authors: Jackowski Karol , Makulski Włodzimierz , Szyprowska Anna , Antušek Andrej , Jaszuński Michał 
Published: July 2009

AbstractThe 1J(11B19F) spin–spin coupling of gaseous BF3 was observed in 11B NMR spectra as a function of density in a wide range of temperatures. Following the extrapolation of the measured values to the zero‐density limit, the coupling constant free from intermolecular effects 1J0(11B19F) was obtained for each temperature. In contrast to previous investigations, the final results indicate a nonlinear dependence of 1J0(11B19F) on temperature. In the corresponding ab initio calculations of spin–spin coupling constants performed at the coupled cluster singles and doubles (CCSD) level to obtain a reliable result for this coupling constant we had to take into account large vibrational corrections. Copyright © 2009 John Wiley & Sons, Ltd.
New saponins from Sechium mexicanum
Authors: Hernández‐Carlos Beatriz , Carmona‐Pineda Miriam , Villanueva‐Cañongo Claudia , López‐Olguín Jesús F. , Aragón‐García Agustín , Joseph‐Nathan Pedro 
Published: July 2009

AbstractThe chemical study of Sechium mexicanum roots led to the isolation of the two new saponins {3‐O‐β‐D‐glucopyranosyl (1 → 3)‐β‐D‐glucopyranosyl‐2β,3β,16α,23‐tetrahydroxyolean‐12‐en‐28‐oic acid 28‐O‐α‐L‐rhamnopyranosyl‐(1 → 3)‐β‐D‐xylopyranosyl‐(1 → 4)‐α‐L‐rhamnopyranosyl‐(1 → 2)‐α‐L‐arabinopyranoside} (1) and {3‐O‐β‐D‐glucopyranosyl (1 → 3)‐β‐D‐glucopyranosyl‐2β,3β,16α,23‐tetrahydroxyolean‐12‐en‐28‐oic acid 28‐O‐α‐L‐rhamnopyranosyl‐(1 → 3)‐β‐D‐xylopyranosyl‐(1 → 4)‐[β‐D‐apiosyl‐(1 → 3)]‐α‐L‐rhamnopyranosyl‐(1 → 2)‐α‐L‐arabinopyranoside} (2), together with the known compounds {3‐O‐β‐D‐glucopyranosyl‐(1 → 3)‐β‐D‐glucopyranosyl‐2β,3β,6β,16α,23‐pentahydroxyolean‐12‐en‐28‐oic acid 28‐O‐α‐L‐rhamnopyranosyl‐(1 → 3)‐β‐D‐xylopyranosyl‐(1 → 4)‐α‐L‐rhamnopyranosyl‐(1 → 2)‐α‐L‐arabinopyranoside} (3), tacacosides A1 (4) and B3 (5). The structures of saponins 1 and 2 were elucidated using a combination of 1H and 13C 1D‐NMR, COSY, TOCSY, gHMBC and gHSQC 2D‐NMR, and FABMS of the natural compounds and their peracetylated derivates, as well as by chemical degradation. Compounds 1–3 are the first examples of saponins containing polygalacic and 16‐hydroxyprotobasic acids found in the genus Sechium, while 4 and 5, which had been characterized partially by NMR, are now characterized in detail. Copyright © 2009 John Wiley & Sons, Ltd.
Three‐dimensional transient thermo‐hydro‐mechanical fundamental solutions of unsaturated soils
Authors: Maghoul Pooneh , Gatmiri Behrouz , Duhamel Denis 
Published: July 2009

AbstractThe governing differential equations of unsaturated soils considering the thermo‐poro‐mechanical behaviour consist of equilibrium, moisture air and heat transfer equations. In this paper at first, following some necessary simplifications, the thermal three‐dimensional fundamental solution for an unsaturated deformable porous medium with linear elastic behaviour in Laplace transform domain is presented. Subsequently, the closed‐form time domain fundamental solutions are derived by analytical inversion of the Laplace transform domain solutions. Then a set of numerical results are presented, which demonstrate the accuracies and some salient features of the derived analytical transient fundamental solutions. Finally, the closed‐form time domain fundamental solution will be verified mathematically by comparison with the previously introduced corresponding fundamental solution. Copyright © 2009 John Wiley & Sons, Ltd.
An integrated electric power supply chain and fuel market network framework: Theoretical modeling with empirical analysis for New England
Authors: Liu Zugang , Nagurney Anna 
Published: July 2009

AbstractIn this article, we develop a novel electric power supply chain network model with fuel supply markets that captures both the economic network transactions in energy supply markets and the physical network transmission constraints in the electric power network. The theoretical derivation and analysis are done using the theory of variational inequalities. We then apply the model to a specific case, the New England electric power supply chain, consisting of six states, five fuel types, 82 power generators, with a total of 573 generating units, and 10 demand market regions. The empirical case study demonstrates that the regional electric power prices simulated by our model match the actual electricity prices in New England very well. We also compute the electric power prices and the spark spread, an important measure of the power plant profitability, under natural gas and oil price variations. The empirical examples illustrate that in New England, the market/grid‐level fuel competition has become the major factor that affects the influence of the oil price on the natural gas price. Finally, we utilize the model to quantitatively investigate how changes in the demand for electricity influence the electric power and the fuel markets from a regional perspective.The theoretical model can be applied to other regions and multiple electricity markets under deregulation to quantify the interactions in electric power/energy supply chains and their effects on flows and prices. © 2009 Wiley Periodicals, Inc. Naval Research Logistics, 2009
Information security: Designing a stochastic‐network for throughput and reliability
Authors: Schavland Jeffrey , Chan Yupo , Raines Richard A. 
Published: July 2009

AbstractTodas information and communication network requires a design that is secure to tampering. Traditional performance measures of reliability and throughput must be supplemented with measures of security. Recognition of an adversary who can inflict damage leads toward a game‐theoretic model. Through such a formulation, guidelines for network designs and improvements are derived. We opt for a design that is most robust to withstand both natural degradation and adversarial attacks. Extensive computational experience with such a model suggests that a Nash‐equilibrium design exists that can withstand the worst possible damage. Most important, the equilibrium is value‐free in that it is stable irrespective of the unit costs associated with reliability vs. capacity improvement and how one wishes to trade between throughput and reliability. This finding helps to pinpoint the most critical components in network design. From a policy standpoint, the model also allows the monetary value of information‐security to be imputed. © 2009 Wiley Periodicals, Inc. Naval Research Logistics, 2009
On the exponentially weighted moving variance
Authors: Huwang Longcheen , Wang Yi‐Hua Tina , Yeh Arthur B. , Chen Ze‐Shiang Jason 
Published: July 2009

AbstractMacGregor and Harris (J Quality Technol 25 (1993) 106–118) proposed the exponentially weighted mean squared deviation (EWMS) and the exponentially weighted moving variance (EWMV) charts as ways of monitoring process variability. These two charts are particularly useful for individual observations where no estimate of variability is available from replicates. However, the control charts derived by using the approximate distributions of the EWMS and EWMV statistics are difficult to interpret in terms of the average run length (ARL). Furthermore, both control charting schemes are biased procedures. In this article, we propose two new control charts by applying a normal approximation to the distributions of the logarithms of the weighted sum of chi squared random variables, which are respectively functions of the EWMS and EWMV statistics. These new control charts are easy to interpret in terms of the ARL. On the basis of the simulation studies, we demonstrate that the proposed charts are superior to the EWMS and EWMV charts and they both are nearly unbiased for the commonly used smoothing constants. We also compare the performance of the proposed charts with that of the change point (CP) CUSUM chart of Acosta‐Mejia (1995). The design of the proposed control charts is discussed. An example is also given to illustrate the applicability of the proposed control charts. © 2009 Wiley Periodicals, Inc. Naval Research Logistics, 2009
Quality risk in outsourcing: Noncontractible product quality and private quality cost information
Authors: Kaya Murat , Özer Özalp 
Published: July 2009

AbstractThis article addresses the concept of quality risk in outsourcing. Recent trends in outsourcing extend a contract manufacturer's (CM's) responsibility to several functional areas, such as research and development and design in addition to manufacturing. This trend enables an original equipment manufacturer (OEM) to focus on sales and pricing of its product. However, increasing CM responsibilities also suggest that the OEM's product quality is mainly determined by its CM. We identify two factors that cause quality risk in this outsourcing relationship. First, the CM and the OEM may not be able to contract on quality; second, the OEM may not know the cost of quality to the CM. We characterize the effects of these two quality risk factors on the firms' profits and on the resulting product quality. We determine how the OEM's pricing strategy affects quality risk. We show, for example, that the effect of noncontractible quality is higher than the effect of private quality cost information when the OEM sets the sales price after observing the product's quality. We also show that committing to a sales price mitigates the adverse effect of quality risk. To obtain these results, we develop and analyze a three‐stage decision model. This model is also used to understand the impact of recent information technologies on profits and product quality. For example, we provide a decision tree that an OEM can use in deciding whether to invest in an enterprise‐wide quality management system that enables accounting of quality‐related activities across the supply chain. © 2009 Wiley Periodicals, Inc. Naval Research Logistics 2009
An explicit finite‐difference method for the approximate solutions of a generic class of anharmonic dissipative nonlinear media
Authors: Macías‐Díaz Jorge Eduardo 
Published: July 2009

AbstractWe develop an explicit finite‐difference method to approximate solutions of modified, Fermi–Pasta–Ulam media, which consider the presence of parameters, such as external damping, relativistic mass, a coefficient for the nonlinear term, and a coefficient of coupling in the case of discrete systems. We propose discrete expressions to approximate consistently the total energy of the system and the average energy flux, and prove that the discrete rate of change of energy is a consistent estimate of its continuous counterpart. The method is thoroughly tested in the energy domain, and our results show that the method gives an approximately constant energy in the case of conservative systems, which fluctuates within a narrow margin of error that may be attributed to truncation errors. © 2009 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 2010
Optimal control of work‐in‐process inventory of a two‐station production line
Authors: Kokangul A. , Khaniyev T. , Cochran J. K. 
Published: July 2009

AbstractMost production lines keep a minimal level of inventory stock to save storage costs and buffer space. However, the random nature of processing, breakdown, and repair times can significantly affect the efficiency of a production line and force the stocking of work‐in‐process inventory. We are interested in the case when starvation and blockage are preferentially avoided.In this study, a mathematical model has been developed using asymptotic approximation and simulation that provides asymptotic results for the expected value and the variance of the stock level in a buffer as a function of time. In addition, the functional relationship between buffer capacity and the first stopping time caused by starvation or blockage has been determined. Copyright © 2009 John Wiley & Sons, Ltd.
Dicer is required for proper liver zonation
Authors: Sekine Shigeki , Ogawa Reiko , Mcmanus Michael T , Kanai Yae , Hebrok Matthias 
Published: July 2009

AbstractA number of genes and their protein products are expressed within the liver lobules in a region‐specific manner and confer heterogeneous metabolic properties to hepatocytes; this phenomenon is known as ‘metabolic zonation’. To elucidate the roles of Dicer, an endoribonuclease III type enzyme required for microRNA biogenesis, in the establishment of liver zonation, we examined the distribution of proteins exhibiting pericentral or periportal localization in hepatocyte‐specific Dicer1 knockout mouse livers. Immunohistochemistry showed that the localization of pericentral proteins was mostly preserved in Dicer1‐deficient livers. However, glutamine synthetase, whose expression is normally confined to a few layers of hepatocytes surrounding the central veins, was expressed in broader pericentral areas. Even more striking was the observation that all the periportal proteins that were examined, including phosphoenolpyruvate carboxykinase, E‐cadherin, arginase 1, and carbamoyl phosphate synthetase‐I, lost their localized expression patterns and were diffusely expressed throughout the entire lobule. Thus, with regard to periportal protein expression, the consequences of Dicer loss were similar to those caused by the disruption of β‐catenin. An analysis of livers deficient in β‐catenin did not identify the down‐regulation of Dicer1 or any microRNAs, indicating that they are not directly activated by β‐catenin. Thus, the present study illustrates that Dicer plays a pivotal role in the establishment of liver zonation. Dicer is essential for the suppression of periportal proteins by Wnt/β‐catenin/TCF signalling, albeit it likely acts in an indirect manner. Copyright © 2009 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Erythrocytapheresis in children with sickle cell disease and acute chest syndrome
Authors: Velasquez M. Paulina , Mariscalco Mary M. , Goldstein Stuart L. , Airewele Gladstone E. 
Published: July 2009

AbstractBackgroundRed cell exchange (RCE) is part of the management of acute chest syndrome (ACS) in patients with sickle cell disease. The study describes the indications and outcome of the procedure.ProcedureWe retrospectively reviewed 53 episodes of ACS in 44 patients who received RCE from January 2003 to October 2006. Patients were aged between 18 months and 19 years.ResultsSixty‐two percent of the patients had at least one previous episode of ACS. ACS was diagnosed at presentation in 66%, in the remainder ACS was diagnosed after a median of 2 days. Clinical Respiratory Score (CRS) was assigned retrospectively to assess respiratory distress (0 = no distress, >6 = severe). Median admission CRS of 2, progressed to 4 before RCE and declined to 2 within 24 hr afterwards. Median day of RCE was day 2 (IQR 1–3) and the main indication was worsening respiratory distress. No patient developed venous thrombosis, alloantibodies or other complications from RCE. Median length of hospitalization was 7 days (IQR: 5–9 days). Patients with a platelet count significantly lower than their baseline on admission had an increased risk of mechanical ventilation.ConclusionsRCE appears to be a safe and effective treatment for patients with sickle cell disease and ACS. One‐third of patients who received RCE for ACS had no respiratory symptoms on admission. Pediatr Blood Cancer 2009;53:1060–1063. © 2009 Wiley‐Liss, Inc.