bluuebunny/crossref_metadata_2025_split huggingface dataset:
Assessing the effect of climate natural variability in water resources evaluation impacted by climate change
Authors: Liu Yanli , Zhang Jianyun , Wang Guoqing , Liu Jiufu , He Ruimin , Wang Hongjie , Liu Cuishan , Jin Junliang 
Published: February 2012

AbstractWater resource assessment on climate change is crucial in water resource planning and management. This issue is becoming more urgent with climate change intensifying. In the current research of climate change impact, climate natural variability (fluctuation) has seldom been studied separately. Many studies keep attributing all changes (e.g. runoff) to climate change, which may lead to wrong understanding of climate change impact assessment. Because of lack of long enough historical series, impacts of climate variability have been always avoided deliberately. Based on Latin hypercube sampling technique, a block sampling approach was proposed for climate variability simulation in this study. The widely used time horizon (1961–1991) was defined as baseline period, and the runoff variation probability affected by climate natural variability was analysed. Allowing for seven future climate projections in total of three GCMs (CSIRO, NCAR, and MPI) and three emission scenarios (A1B, A2, and B1), the impact of future climate change on water resources was estimated in terms of separating the contribution from climate natural variability. Based on the analysis of baseline period, for the future period from 2021 to 2051, the impact of climate natural variability may play a major part, whereas for the period from 2061 to 2091, climate change attributed to greenhouse gases may dominate the changing process. The results show that changes from climate variability possess a comparable magnitude, which highlights the importance to separate impacts of climate variability in assessing climate change, instead of attributing all changes to climate change solely. Copyright © 2012 John Wiley & Sons, Ltd.
Simplification of biotic ligand models of Cu, Ni, and Zn by 1-, 2-, and 3-parameter transfer functions
Authors: Verschoor Anja J , Vink Jos PM , Vijver Martina G 
Published: February 2012

Abstract
Biotic ligand models for calculation of watertype-specific no effect concentrations are recognized as a major improvement in risk assessment of metals in surface waters. Model complexity and data requirement, however, hamper the regulatory implementation. To facilitate regulatory use, biotic ligand models (BLM) for the calculation of Ni, Cu, and Zn HC5 values were simplified to linear equations with an acceptable level of accuracy, requiring a maximum of 3 measured water chemistry parameters. In single-parameter models, dissolved organic carbon (DOC) is the only significant parameter with an accuracy of 72%–75% to predict HC5s computed by the full BLMs. In 2-parameter models, Mg, Ca, or pH are selected by stepwise multiple regression for Ni, Cu, and Zn HC5, respectively, and increase the accuracy to 87%–94%. The accuracy is further increased by addition of a third parameter to 88%–97%. Three-parameter models have DOC and pH in common, the third parameter is Mg, Ca, or Na for HC5 of Ni, Cu, and Zn, respectively. Mechanisms of chemical speciation and competitive binding to the biotic ligand explain the selection of these parameters. User-defined requirements, such as desired level of reliability and the availability of measured data, determine the selection of functions to predict HC5. Integr Environ Assess Manag 2012; 8: 738–748. © 2012 SETAC
Good modeling practice guidelines for applying multimedia models in chemical assessments
Authors: Buser Andreas M , MacLeod Matthew , Scheringer Martin , Mackay Don , Bonnell Mark , Russell Mark H , DePinto Joseph V , Hungerbühler Konrad 
Published: February 2012

Abstract
Multimedia mass balance models of chemical fate in the environment have been used for over 3 decades in a regulatory context to assist decision making. As these models become more comprehensive, reliable, and accepted, there is a need to recognize and adopt principles of Good Modeling Practice (GMP) to ensure that multimedia models are applied with transparency and adherence to accepted scientific principles. We propose and discuss 6 principles of GMP for applying existing multimedia models in a decision-making context, namely 1) specification of the goals of the model assessment, 2) specification of the model used, 3) specification of the input data, 4) specification of the output data, 5) conduct of a sensitivity and possibly also uncertainty analysis, and finally 6) specification of the limitations and limits of applicability of the analysis. These principles are justified and discussed with a view to enhancing the transparency and quality of model-based assessments. Integr Environ Assess Manag 2012; 8: 703–708. © 2012 SETAC
Quantum molecular mechanics—a noniterative procedure for the fast Ab Initio calculation of closed shell systems
Authors: Moura Gustavo L. C. , Simas Alfredo M. 
Published: February 2012

AbstractIn this article, we advance the foundations of a strategy to develop a molecular mechanics method based not on classical mechanics and force fields but entirely on quantum mechanics and localized electron‐pair orbitals, which we call quantum molecular mechanics (QMM). Accordingly, we introduce a new manner of calculating Hartree–Fock ab initio wavefunctions of closed shell systems based on variationally preoptimized nonorthogonal electron pair orbitals constructed by linear combinations of basis functions centered on the atoms. QMM is noniterative and requires only one extremely fast inversion of a single sparse matrix to arrive to the one‐particle density matrix, to the electron density, and consequently, to the ab initio electrostatic potential around the molecular system, or cluster of molecules. Although QMM neglects the smaller polarization effects due to intermolecular interactions, it fully takes into consideration polarization effects due to the much stronger intramolecular geometry distortions. For the case of methane, we show that QMM was able to reproduce satisfactorily the energetics and polarization effects of all distortions of the molecule along the nine normal modes of vibration, well beyond the harmonic region. We present the first practical applications of the QMM method by examining, in detail, the cases of clusters of helium atoms, hydrogen molecules, methane molecules, as well as one molecule of HeH+ surrounded by several methane molecules. We finally advance and discuss the potentialities of an exact formula to compute the QMM total energy, in which only two center integrals are involved, provided that the fully optimized electron‐pair orbitals are known. © 2012 Wiley Periodicals, Inc.
Design of chitosan/PSf self‐assembly membrane to mitigate fouling and enhance performance in trypsin separation
Authors: Hamzah Sofiah , Ali Nora'aini , Mohammad Abdul Wahab , Ariffin Marinah Mohd , Ali Asmadi 
Published: February 2012

AbstractBACKGROUND: Membrane fouling in downstream processing has become a major obstacle in enzyme production. The use of a membrane with high surface hydrophilicity may be an acceptable way to overcome this problem. In this study, the effects of dip time on chitosan incorporation were investigated to produce a low fouling ultrafiltration membrane for trypsin separation.RESULT: Pristine ultrafiltration membrane with a polymer concentration of 15% was developed via phase inversion. Membrane surface modification was performed using chitosan solution with different dip times. Membranes with a 60‐min dip time provided optimum trypsin transmission (about 91.8%). Such membranes have a high permeability coefficient (71 L m−2 h−1) and good porosity (about 89.6%). The hydrophilicity of this modified membrane was also improved by 50% compared with the native membrane, and its flux recovery was about 89.8%. The successful assembly of chitosan onto the membrane's surface was ascertained by ATR‐FTIR and X‐ray diffractometry (XRD). The morphology of this membrane was significantly different from that of native membrane.CONCLUSION: The experimental results show that membrane dip time exerts a significant influence on the self‐assembly of chitosan particles onto the membrane's surface, and this process can be used to produce a potentially low‐fouling UF membrane for trypsin separation. Copyright © 2012 Society of Chemical Industry
Involvement of ryanodine receptors in tetanic sciatic stimulation‐induced long‐term potentiation of spinal dorsal horn and persistent pain in rats
Authors: Lü Ning , Cheng Long‐Zhen , Zhang Yu‐Qiu , Lü Bai‐Chang , Li Yun‐Qing , Zhao Zhi‐Qi 
Published: February 2012

AbstractTetanic stimulation of the sciatic nerve induces long‐term potentiation (LTP) of C‐fiber‐evoked field potentials in the spinal dorsal horn and persistent pain, suggesting that spinal LTP may be a substrate for central sensitization of the pain pathway. However, its cellular mechanism remains unclear. The present study provides electrophysiological and behavioral evidence for the involvement of ryanodine receptor (RyR) in the induction of spinal LTP and persistent pain in rats. The specific inhibitor of ryanodine receptor, ryanodine and dantrolene, dose dependently blocked the induction, but not maintenance, of spinal LTP and reduced persistent pain behaviors induced by tetanic sciatic stimulation. Both cyclic ADP ribose (cADPR), an endogenous agonist of RyR, and (±)‐1,4‐dihydro‐2,6‐dimethyl‐5‐nitro‐4‐[2‐(trifluromethyl)‐phenyl]‐3‐pyridine carboxylic acid methyl ester (Bay K 8644), an agonist of L‐type calcium channel, attenuated ryanodine‐induced inhibition. Immunohistochemistry and electron microscopic observation showed that RyR subtypes RyR1 and RyR3 were located in the spinal dorsal horn. The results suggest that RyRs are involved in synaptic plasticity of the spinal pain pathway and may be a novel target for treating pain. © 2012 Wiley Periodicals, Inc.
Influence of acid hydrolysis on thermal and rheological properties of amaranth starches varying in amylose content
Authors: Kong Xiangli , Kasapis Stefan , Bao Jinsong , Corke Harold 
Published: February 2012

AbstractBACKGROUND: The granules of amaranth starch are very small compared with starches from other sources. In the current work, amaranth starches with different amylose contents were treated with hydrochloric acid as a function of time in order to study the effect of acid treatments on starches. Differential scanning calorimetry and dynamic oscillation in shear were employed to analyse the thermal and rheological properties of acid‐modified amaranth starch.RESULTS: Results showed that gelatinisation temperatures and enthalpy change of gelatinisation (ΔH) decreased steeply initially, and had a slight increase with further treatment up to 12 h then decreased, an outcome that reflected distinct resistance to acid with various amylose contents. Rheological parameters of storage and loss moduli during heating, cooling and frequency sweep of modified starches reflected the differential scanning calorimetry results by decreasing in value as the time of acid hydrolysis increased.CONCLUSION: With amylose content increase, the effects of acid hydrolysis on gelatinisation temperatures became less pronounced. Nevertheless, prolonged acid hydrolysis decreased the storage and loss moduli, with the starch pastes becoming more liquid‐like. Copyright © 2012 Society of Chemical Industry
Variability and relationship among Mixolab and Falling Number evaluation based on influence of fungal α‐amylase addition.
Authors: Codinǎ Georgiana Gabriela , Mironeasa Silvia , Mironeasa Costel 
Published: February 2012

AbstractBACKGROUND: In bread‐making technology, α‐amylase activity is routinely measured with a Falling Number device to predict wheat flour quality. The aim of this study was to determine the possibility of using Mixolab parameters to assess the Falling Number (FN) index. The effects of different doses of fungal α‐amylase addition on the Mixolab characteristics and FN index values were investigated.RESULTS: Principal component analysis was performed in order to illustrate the relationships between the Mixolab parameters and the FN index. To highlight the linear combination between the FN index values and the Mixolab parameters used to evaluate starch pasting properties (C3, C4, C5 and point differences C34 and C54), a multivariate prediction model was developed. Greatest precision (R = 0.728) was obtained for the linear regression FN = f(C4, C54) model. This model was tested on a different sample set than the one on which it was built. A high correlation was obtained between predictive model and measured FN index values (r = 0.896, P = 0.01).CONCLUSION: The model provides a framework to predict the evolution of the FN index, which is predicted by the torque for cooking stability (C4) and the difference between points C5 and C4 (C54). The obtained results suggested that the Mixolab device could be a reliable instrument for evaluation of the FN index values. Copyright © 2012 Society of Chemical Industry
Enzymatic biodiesel production – the way of the future
Authors: Fan Xiaohu 
Published: February 2012

AbstractEnzymatic biodiesel production shows a very high potential to be an eco‐friendly process compared with traditional chemical processes, which could pose downstream processing problems. As an environmentally benign green approach, enzymatically catalyzed biodiesel production avoids the generation of wastewater and eases the recovery of high purity glycerol. This article discusses the benefits of using enzymatic approach. Both the opportunities and challenges are covered.
Rapid characterization of lipids by MALDI MS. Part 2: Artifacts, ion suppression, and TLC MALDI imaging
Authors: Lay Jackson O. , Gidden Jennifer , Liyanage Rohana , Emerson Beth , Durham Bill 
Published: February 2012

AbstractSeveral new methods have been developed recently that allow the direct detection of lipids without resorting to derivatization or chromatographic separation. The simplest of these is direct MALDI (matrix‐assisted laser desorption/ionization) mass spectrometry. This approach is most useful for mixtures that contain minimal amounts of ion‐suppressing interfering components. However, when such components are present, their effects can often be minimized by using simple separation techniques beforehand, such as solid phase extraction or thin layer chromatography. For example, direct MALDI has been used for rapid screening of lipids and taxonomic identification of the source organisms with no sample pretreatment. Collecting fractions from solid phase extraction cartridges have also been used to avoid the most extreme effects of ion suppression from more complex lipid mixtures. More recently, direct MALDI has been applied to the analysis of TLC plates allowing the detection of TLC‐separated lipids from the complex lipidome. Herein, we briefly describe the application of rapid MALDI MS to some typical research problems involving the characterization of lipids. In Part 1 [1] we covered bacterial taxonomy by direct analysis of intact lipids and the analysis of food oil triacylglycerols . Part 2 will address ion suppression, spontaneous fragmentation, and coupling MALDI with chromatography. The spontaneous fragmentation of protonated lipids in oils by direct MALDI produces artifactual diacylglycerol‐like ions. An understanding of this process and its minimization facilitates monitoring the decomposition of lipids by direct analysis. Suppression also has an impact on direct analysis of lipids, especially when mixtures contain both polar and non‐polar lipids. We demonstrate the use of solid phase extraction and thin layer chromatography to produce fractions or substrates from complex biological samples in which lipids can be detected by direct and rapid MALDI MS analysis.
Immunoprophylaxis against and prevention of recurrent viral hepatitis after liver transplantation
Authors: Laryea Marie A. , Watt Kymberly D. 
Published: February 2012

Abstract
The reinfection of the hepatic allograft with hepatitis B virus and hepatitis C virus can have important sequelae that result in poor long-term patient and graft survival. Although a response to treatment with antiviral medications can improve these outcomes, not all patients tolerate these medications or experience viral eradication. Avoiding reinfection of the graft is the most effective means of improving the long-term outcomes for these patient populations. This review is focused on the prevention of viral hepatitis reinfection after liver transplantation. Liver Transpl, 2012. © 2012 AASLD.
Polymer Nanostructures Made by Scanning Probe Lithography: Recent Progress in Material Applications
Authors: Xie Zhuang , Zhou Xuechang , Tao Xiaoming , Zheng Zijian 
Published: February 2012

AbstractScanning probe lithography (SPL) is a series of techniques that utilizes a scanning probe or an array of probes for surface patterning. Recent developments of new material systems and patterning approaches have made SPL a promising, low‐cost, bench‐top, and versatile tool for fabricating various polymer nanostructures, with extraordinary importance in physical sciences, life sciences and nanotechnology. This feature article highlights the recent progress in four material applications: polymer resists, polymeric carriers for patterning functional materials, electronically active polymers and polymer brushes for tailoring surface morphology and functionality. An overview of future possibilities, with regard to challenges and opportunities in this field, is given at the end of the paper.
Anisotropic Ionic Mobility of Lithium Salts in Lamellar Liquid Crystalline Polymer Networks
Authors: Ramón‐Gimenez Laura , Storz Rebekka , Haberl Johannes , Finkelmann Heino , Hoffmann Anke 
Published: February 2012

AbstractNew mesogens presenting smectic A (SmA) phases and capable of hosting lithium salts are designed. The mesogens comprise a vinyl‐functionalized spacer to allow further reaction to the polymer backbone, an aromatic core and ethylene oxide chains, able to coordinate lithium ions. Copolymerizing these monomers with a suitable crosslinker yields the first lithium containing liquid crystalline elastomers (LCEs). The SmA structure where the ethylene oxide chains are microphase separated in layers is fixed by the crosslinking and permanent macroscopic orientation is obtained. Diffusion and conductivity measurements of the monomer sample show a large anisotropy of the ion mobility (100 for the cation and 400 for the anion). In the elastomer the anisotropy of the lithium mobility is comparable to that in the monomers.
Molecular Modelling of G Protein‐Coupled Receptors Through the Web
Authors: Rodríguez David , Bello Xabier , Gutiérrez‐de‐Terán Hugo 
Published: February 2012

AbstractWith the recent crystallization of several G Protein‐Coupled receptors (GPCRs), homology modelling and all atom molecular dynamics (MD) simulations have proven their usefulness for exploring the structure and function of this superfamily of membrane receptors. Subsequently, automated computational protocols have been implemented as web‐based servers in the recent years to produce reliable models of GPCRs, providing partial or global solutions for the structural characterization and molecular simulation of GPCRs. These dedicated modelling services represent an attractive tool for the broader community of public researchers and pharmaceutical companies, in order to assist in the structure‐based drug design of GPCRs. We here collect and analyze the existing web servers, among which a previously unreported service, GPCR‐ModSim, offers for the first time full atom MD simulations in the pipeline for GPCR molecular modelling.
Fish liver and seagull eggs, vitamin D‐rich foods with a shadow: Results from the Norwegian Fish and Game Study
Authors: Birgisdottir Bryndis E. , Brantsæter Anne L. , Kvalem Helen E. , Knutsen Helle K. , Haugen Margaretha , Alexander Jan , Hetland Ragna B. , Aksnes Lage , Meltzer Helle M. 
Published: February 2012

AbstractScope Fish liver, fish liver oil, oily fish and seagull eggs have been major sources of vitamin D for the coastal population of Norway. They also provide dioxin and polychlorinated dioxin‐like compounds (dl‐compounds), which may interfere with vitamin D homeostasis. We investigated whether serum 25‐hydroxyvitamin D (25(OH)D) might be compromised by concomitant intake of dl‐compounds.Methods and results We studied 182 adults participating in the Norwegian Fish and Game Study. Participants who consumed fish liver and/or seagull eggs had higher dl‐compound intake and blood concentrations than non‐consumers (p < 0.001). Vitamin D intake was higher (p < 0.001), whereas serum 25(OH)D was lower (p = 0.029) in consumers than in non‐consumers. Among non‐consumers, vitamin D intake was associated with serum 25(OH)D (β=1.06; 95% CI: 0.48, 1.63). This association was weaker among consumers (β = 0.52; 95% CI: −0.05, 1.08), but strengthened when adjusted for retinol intake (β = 0.66; 95% CI: 0.12, 1.21). The association between vitamin D intake and serum 25(OH)D did not seem to be compromised by intake of dl‐compounds.Conclusion To secure adequate vitamin D status while keeping the intake of dioxins and dl‐polychlorinated biphenyls low, a healthy diet should include both supplemental vitamin D and oily fish. Despite high nutrient content, dietary fish liver and seagull eggs should be restricted, due to dl‐compounds and possible vitamin A‐D antagonism.
Pre‐existent Hsp72 contributes to glutamine‐induced hepatic hsp72 gene activation during heat shock recovery period in rat
Authors: Wang Shu‐Jung , Chen Hsiang‐Wen , Yang Rei‐Cheng 
Published: February 2012

AbstractScope Functional maintenance of liver is very important at all times for personal health. Hsp induction is associated with the protection of the organ. Glutamine, a nutrient inducer of Hsps, enhances cellular survival via Hsp72 induction in several organs, but not in the liver. The present study showed a novel approach to facilitate glutamine‐induced hepatic Hsp72 synthesis and its possible mechanisms were discussed.Methods and results Sprague‐Dawley rats were used as the experimental animals and the livers were the targets. Glutamine was administered via tail‐vein injection, and its effects on hsp72 gene activation, including Hsp72 expression, heat shock factor‐1 (HSF‐1) phosphorylation and DNA‐binding activation, were evaluated. The results showed that Hsp72 itself played a critical role in glutamine‐induced hepatic Hsp72 synthesis during HS recovery period in a dose‐dependent manner of preexistent Hsp72. The peak value of HSF‐1 phosphorylation, HSF‐1 DNA‐binding activity, hsp72 mRNA accumulation, and Hsp72 synthesis was detected at 8 h after glutamine administration.Conclusion Glutamine switched on alteration pathway in inducing hsp72 gene activation. The existence of Hsp72 plays a critical role in the reactivation of hsp72 gene. Glutamine sustained the induction of intracellular Hsp72, which could be beneficial in protecting the liver from various injuries.