bluuebunny/crossref_metadata_2025_split huggingface dataset:
Comparing predicted against measured steroid estrogen concentrations and the associated risk in two United Kingdom river catchments
Authors: Williams Richard J. , Churchley John H. , Kanda Rakesh , Johnson Andrew C. 
Published: January 2012

Abstract
Predicted concentrations of estrone, 17β-estradiol, and 17α-ethinylestradiol generated from a geographical information systems-based model (LF2000-WQX) have previously been used to assess the risk of causing intersex in male fish in the rivers of England and Wales, United Kingdom. Few measured data of sufficient quality and spatial extent have been available to verify this risk assessment. New measured data have been collected from sewage treatment plant effluents and the receiving waters upstream and downstream of these discharges from the Erewash River and the Avon River systems in England. The model results for these rivers were in good agreement with the measured values in terms of estradiol equivalents. Critically, the risk assessment based on the measured data gave a risk assessment nearly identical to that derived from the modeled results. For individual estrogens, 17α-ethinylestradiol was modeled best and estrone worst. Poor simulations reflected poor estimates of the effluent concentrations, which were more variable from day to day and between works of nominally similar type than is assumed in the model. In support of this, model results for the Erewash River, calculated using observed effluent concentrations, were in excellent agreement with the measured data. The model has proved to be adequate in predicting overall estrogenic potency, and therefore risk, along these rivers; however, improvements are possible, particularly in predicting STP removal efficiency and therefore effluent concentrations. Environ. Toxicol. Chem. 2012;31:892–898. © 2012 SETAC
Neurotoxicity of two Cylindrospermopsis raciborskii (cyanobacteria) strains to mice, Daphnia, and fish
Authors: Zagatto Pedro A. , Buratini Sandra V. , Aragão Márcia A. , Ferrão-Filho Aloysio S. 
Published: January 2012

Abstract
In recent decades, toxic cyanobacterial blooms have become frequent in the drinking water supply and have caused serious deleterious effects to domestic and wild animals, as well as to humans. Two strains of the cyanobacterium species Cylindrospermopsis raciborskii (T2 and T3) were isolated from the Billings Reservoir (São Paulo, Brazil) and cultured in the laboratory for use in acute toxicity tests with mice, micro crustaceans, and fish. The results showed high toxicity of both strains in mouse bioassays (median lethal dose [LD50]; 24 h = 9.6 and 27 mg/kg; intraperitoneal injections). The symptomatology presented by mice was typical of neurotoxicosis, such as trembling, ataxia, convulsions and death by respiratory arrest. Acute and chronic effects were observed in Daphnia similis and Ceriodaphnia dubia, such as immobilization and reduced fitness, respectively. Although acute effects were not detected on the adult fish Danio rerio, chronic toxicity was observed for its larval stage. Although both strains showed high toxicity to all organisms, no consistent pattern was seen between the different bioassays and strains. The results also showed that C. raciborskii toxins are stable to heat and to extreme pH variations. Because of high toxicity of these strains and the potential risk to human health, the authors propose a revision of the legislation regarding safety factors for drinking water supply. Environ. Toxicol. Chem. 2012;31:857–862. © 2012 SETAC
Modeling and Optimization of Anode‐Supported Solid Oxide Fuel Cells on Cell Parameters via Artificial Neural Network and Genetic Algorithm
Authors: Bozorgmehri S. , Hamedi M. 
Published: January 2012

AbstractAn artificial neural network (ANN) and a genetic algorithm (GA) are employed to model and optimize cell parameters to improve the performance of singular, intermediate‐temperature, solid oxide fuel cells (IT‐SOFCs). The ANN model uses a feed‐forward neural network with an error back‐propagation algorithm. The ANN is trained using experimental data as a black‐box without using physical models. The developed model is able to predict the performance of the SOFC. An optimization algorithm is utilized to select the optimal SOFC parameters. The optimal values of four cell parameters (anode support thickness, anode support porosity, electrolyte thickness, and functional layer cathode thickness) are determined by using the GA under different conditions. The results show that these optimum cell parameters deliver the highest maximum power density under different constraints on the anode support thickness, porosity, and electrolyte thickness.
Poly(amidoamine)s with pendant primary amines and flexible backbone for enhanced nonviral gene delivery: Transfection and intracellular trafficking
Authors: Liu Wen‐Ming , Liu Min , Xue Ya‐Nan , Peng Na , Xia Xi‐Ming , Zhuo Ren‐Xi , Huang Shi‐Wen 
Published: January 2012

AbstractWe synthesized poly(amidoamine)s with pendant primary amines and flexible backbone (polymers 1–3) by Michael polyaddition of N‐tert‐butyloxycarbonyl (N‐Boc) protected diamine to 1,6‐Bis(acrylamido)hexane, followed by the deprotection of N‐Boc under acidic conditions. The physicochemical properties of polymers 1–3, including buffer capacity, DNA‐binding capacity, cytotoxicity, particle sizes, and zeta potentials of polycation/DNA complexes, were explored. All the three polymers possess high buffer capacity and excellent DNA‐binding capacity. In vitro MTT assay revealed that these synthesized poly(amidoamine)s were less cytotoxic than commercial branched PEI (25 kDa). These poly(amidoamine)s with pendant primary amines and flexible backbone were evaluated as in vitro nonviral gene delivery vectors for 293T and COS‐7 cells. All the three polymers exhibited high transfection efficiencies, which were even higher than branched PEI (25 kDa) at optimized conditions. Further evidences from confocal laser scanning microscope (CLSM) demonstrated that the high transfection efficiencies of polymers 1–3 were due to the efficient uptake and intracellular trafficking of plasmid DNA in the cells during the transfection. © 2012 Wiley Periodicals, Inc. J Biomed Mater Res Part A:, 2012.
Encapsulation of drug microparticles with self‐assembled Fe3O4/alginate hybrid multilayers for targeted controlled release
Authors: Mu Bin , Zhong Wu , Dong Yun , Du Pengcheng , Liu Peng 
Published: January 2012

AbstractThe magnetic‐targeted drug‐delivery system was developed with the Fe3O4 nanoparticles as the self‐assembling material to form the hybrid multilayer shells. Layer‐by‐Layer stepwise self‐assembly of the natural polyelectrolytes sodium alginate and the Fe3O4 nanoparticles was used to create the magnetic hybrid multilayers around drug microparticles (∼400 nm in diameter) for the purpose of targeted controlled release. The obtained drug microparticles encapsulated with hybrid multilayers were characterized with dynamic light scattering, transmission electron microscope, and vibrating sample magnetometer. UV–vis spectroscopy was employed to monitor the drug releasing behaviors in pH 1.8 and 7.4 buffer solutions. It was found that the release of drug molecules from the pH‐sensitive magnetic‐targeted drug‐delivery system was mainly dependent on the following factors: the permeability of the hybrid multilayer shells and the solubility of the drug molecules in the bulk solutions. The results revealed that it could achieve the quick and continuous controlled release via the magnetically‐guide to the target tissue of organism. © 2012 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 2012.
On the efficiency of VBSCF algorithms, a comment on “An efficient algorithm for energy gradients and orbital optimization in valence bond theory”
Authors: van Lenthe J. H. , Broer‐Braam H. B. , Rashid Z. 
Published: January 2012

AbstractWe comment on the paper [Song et al., J. Comput. Chem. 2009, 30, 399]. and discuss the efficiency of the orbital optimization and gradient evaluation in the Valence Bond Self Consistent Field (VBSCF) method. We note that Song et al. neglect to properly reference Broer et al., who published an algorithm [Broer and Nieuwpoort, Theor. Chim. Acta 1988, 73, 405] to use a Fock matrix to compute a matrix element between two different determinants, which can be used for an orbital optimization. Further, Song et al. publish a misleading comparison with our VBSCF algorithm [Dijkstra and van Lenthe, J. Chem. Phys. 2000, 113, 2100; van Lenthe et al., Mol. Phys. 1991, 73, 1159] to enable them to favorably compare their algorithm with ours. We give detail timings in terms of different orbital types in the calculation and actual timings for the example cases. © 2012 Wiley Periodicals, Inc.
Liquid properties of dimethyl ether from molecular dynamics simulations usingAb Initioforce fields
Authors: Wang Shi‐Bao , Li Arvin Huang‐Te , Chao Sheng D. 
Published: January 2012

AbstractWe have used molecular dynamic simulations to study the structural and dynamical properties of liquid dimethyl ether (DME) with a newly constructedab initioforce field in this article. Theab initiopotential energy data were calculated at the second order Møller‐Plesset (MP2) perturbation theory with Dunning's correlation consistent basis sets (up to aug‐cc‐pVQZ). We considered 17 configurations of the DME dime for the orientation sampling. The calculated MP2 potential data were used to construct a 3‐site united atom force field model. The simulation results are compared with those using the empirical force field of Jorgensen and Ibrahim (Jorgensen and Ibrahim, J Am Chem Soc 1981, 103, 3976) and with available experimental measurements. We obtain quantitative agreements for the atom‐wise radial distribution functions, the self‐diffusion coefficients, and the shear viscosities over a wide range of experimental conditions. This force field thus provides a suitable starting point to predict liquid properties of DME from first principles intermolecular interactions with no empirical data inputa priori. © 2012 Wiley Periodicals, Inc.
The transformation of phytolith morphology as the result of their exposure to high temperature
Authors: Wu Yan , Wang Changsui , Hill David V. 
Published: January 2012

AbstractPhytoliths are an important component for interpreting the ancient botanical record. However, phytoliths can be altered through heating, either as the result of such activities as firing ceramics, clay molds use for casting metal or in hearths. Phytoliths can also be altered through heating as the result of creating comparative sample from living plants. By heating phytoliths at graduated intervals it was found that different types of phytoliths lost their diagnostic morphological characteristics at significantly different temperatures. The phytoliths used in this study are derived from economically important plants to Chinese archaeology and culture. Given the consistent results of the alteration of different type of phytoliths at specific temperatures it should eventually be possible to use phytolith alterations as a proxy measure of the original firing temperature of ancient objects and features. Microsc. Res. Tech. 2012. © 2012 Wiley Periodicals, Inc.
Single‐nucleotide polymorphism in Turkish patients with adolescent idiopathic scoliosis: Curve progression is not related with MATN‐1, LCT C/T‐13910, and VDR BsmI
Authors: Yilmaz Hurriyet , Zateri Coskun , Uludag Ahmet , Bakar Coskun , Kosar Sule , Ozdemir Ozturk 
Published: January 2012

AbstractThe role of genetics in the etiopathogenesis of adolescent idiopathic scoliosis (AIS) is unclear. In this study, we investigated the relationship between AIS and polymorphisms in MATN‐1, LCT C/T‐13910, and VDR BsmI genes. 53 Turkish adolescents with diagnosed AIS and 54 healthy adult individuals were included in the study. MATN‐1, LCT C/T‐13910, and VDR BsmI gene mutations were analyzed with real‐time PCR. We did not detect a statistically significant difference between AIS and control groups in respect to those three different gene polymorphisms (p < 0.05). We next evaluated the associations of all three SNPs with scoliosis curve severity. There was no significant difference between curve severity and gene polymorphisms (p < 0.05). In terms of gene polymorphisms, AIS patients with a family history of AIS did not significantly differ from AIS patients who did not have history (p < 0.05). AIS might be caused by many different gene mutations, biomechanical mechanisms that have been modified by environmental factors, different biological interactions, modulation of growth, or a synergy of different factors causing abnormal control of growth. However, the existing knowledge is still not enough to explain the etiopathogenesis of AIS. © 2012 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 30:1459–1463, 2012
Effect of production environment, genotype and process on the mineral content of native bitter potato cultivars converted into white chuño
Authors: de Haan Stef , Burgos Gabriela , Ccanto Raul , Arcos Jesus , Scurrah Maria , Salas Elisa , Bonierbale Merideth 
Published: January 2012

AbstractBACKGROUND: Variables and interaction effects affecting the mineral concentration of Andean bitter potatoes converted into so‐called white chuño are unknown. We report on the effect of three contrasting production environments (E) on the dry matter (DM), zinc, iron, calcium, potassium, magnesium, phosphorus and sodium concentration of four potato native bitter genotypes (G) processed (P) into two different ‘types’ of white chuño.RESULTS: The DM content and iron, calcium, magnesium and sodium concentration of white chuño are significantly dependent on E, G, P, and E × G × P interaction (predominantly at P < 0.01). In particular, the DM content and calcium concentration are influenced by all variables and possible interaction effects. The zinc and potassium concentration are not significantly dependent on E × G, G × P or E × G × P interaction effects, while the phosphorus concentration is not significantly affected by the G × P or E × G × P interaction effect. Zinc, phosphorus and magnesium concentrations decrease in the ranges of 48.3–81.5%, 61.2–73.0% and 62.0–89.7% respectively. The decrease in potassium is particularly severe, with 122‐ to 330‐fold losses. Iron and calcium increase by 11.2–45.6% and 74.5–714.9% respectively.CONCLUSION: E, G, P, and various interaction effects influence the mineral concentration of traditionally processed tubers. We speculate that mineral losses are caused by leaching, while increases of iron and calcium are a likely result of absorption. Copyright © 2012 Society of Chemical Industry
Tumor spectrum in lynch syndrome, DNA mismatch repair system and endogenous carcinogens
Authors: Medina‐Arana Vicente , Delgado Luciano , Bravo Alberto , Martín Juana , Fernández‐Peralta Antonia M. , González‐Aguilera Juan J. 
Published: January 2012

AbstractInactivation of Mismatch Repair genes in Lynch Syndrome, caused by inherited mutations, decreases the ability to repair DNA errors throughout life. This deficit may allow the development of any tumor type. Nevertheless, the Syndrome develops a specific tumor spectrum associated with the disease. We think that such spectrum of tumors would be related to the action of certain endogenous carcinogens such as bile acids and estrogens that aggravate the inherited defect. J. Surg. Oncol. 2012; 106:10–16. © 2012 Wiley Periodicals, Inc.
In vivo analysis of laser preconditioning in incisional wound healing of wild‐type and HSP70 knockout mice with Raman spectroscopy
Authors: Makowski Alexander J. , Davidson Jeffrey M. , Mahadevan‐Jansen Anita , Jansen E. Duco 
Published: January 2012

AbstractBackground and ObjectiveLaser preconditioning augments incisional wound healing by reducing scar tissue and increasing maximum tensile load of the healed wound [Wilmink et al. (2009) J Invest Dermatol 129(1): 205–216]. Recent studies have optimized treatments or confirmed results using HSP70 as a biomarker. Under the hypothesis that HSP70 plays a role in reported results and to better understand the downstream effects of laser preconditioning, this study utilized a probe‐based Raman spectroscopy (RS) system to achieve an in vivo, spatio‐temporal biochemical profile of murine skin incisional wounds as a function of laser preconditioning and the presence of HSP70.Study Design/Materials and MethodsA total of 19 wild‐type (WT) and HSP70 knockout (HSP70−/−) C57BL/6 mice underwent normal and laser preconditioned incisional wounds. Laser thermal preconditioning was conducted via previously established protocol (λ = 1.85 µm, H0 = 7.64 mJ/cm2 per pulse, spot diameter = 5 mm, Rep. rate = 50 Hz, τp = 2 milliseconds, exposure time = 10 minutes) with an Aculight Renoir diode laser, with tissue temperature confirmed by real‐time infrared camera measurements. Wound‐healing progression was quantified by daily collection of a spatial distribution of Raman spectra. The results of RS findings were then qualified using standard histology and polarization microscopy.ResultsRaman spectra yielded significant differences (t‐test; α =0.05) in several known biochemical peaks between WT and HSP70 (−/−) mice on wounds and in adjacent tissue early in the wound‐healing process. Analysis of peak ratios implied (i) an increase in protein configuration in and surrounding the wound in WT mice, and (ii) an increased cellular trend in WT mice that was prolonged due to laser treatment. Polarization microscopy confirmed that laser treated WT mice showed increased heterogeneity in collagen orientation.ConclusionsThe data herein supports the theory that HSP70 is involved in normal skin protein configuration and the cellularity of early wound healing. Laser preconditioning extends cellular trends in the presence of HSP70. Despite study limitations, RS provided a non‐invasive method for quantifying temporal trends in altered wound healing, narrowing candidates and design for future studies with clinically applicable instrumentation. Lasers Surg. Med. 44:233–244, 2012. © 2012 Wiley Periodicals, Inc.
Low‐Level Laser Therapy for Closed‐Head Traumatic Brain Injury in Mice: Effect of Different Wavelengths
Authors: Wu Qiuhe , Xuan Weijun , Ando Takahiro , Xu Tao , Huang Liyi , Huang Ying‐Ying , Dai Tianghong , Dhital Saphala , Sharma Sulbha K. , Whalen Michael J. , Hamblin Michael R. 
Published: January 2012

AbstractBackground and ObjectivesTraumatic brain injury (TBI) affects millions worldwide and is without effective treatment. One area that is attracting growing interest is the use of transcranial low‐level laser therapy (LLLT) to treat TBI. The fact that near‐infrared light can penetrate into the brain would allow non‐invasive treatment to be carried out with a low likelihood of treatment‐related adverse events. LLLT may treat TBI by increasing respiration in the mitochondria, causing activation of transcription factors, reducing inflammatory mediators and oxidative stress, and inhibiting apoptosis.Study Design/Materials and MethodsWe tested LLLT in a mouse model of closed‐head TBI produced by a controlled weight drop onto the skull. Mice received a single treatment with continuous‐wave 665, 730, 810, or 980 nm lasers (36 J/cm2 delivered at 150 mW/cm2) 4‐hour post‐TBI and were followed up by neurological performance testing for 4 weeks.ResultsMice with moderate‐to‐severe TBI treated with 665 and 810 nm laser (but not with 730 or 980 nm) had a significant improvement in Neurological Severity Score that increased over the course of the follow‐up compared to sham‐treated controls. Morphometry of brain sections showed a reduction in small deficits in 665 and 810 nm laser treated mouse brains at 28 days.ConclusionsThe effectiveness of 810 nm agrees with previous publications, and together with the effectiveness of 660 nm and non‐effectiveness of 730 and 980 nm can be explained by the absorption spectrum of cytochrome oxidase, the candidate mitochondrial chromophore in transcranial LLLT. Lasers Surg. Med. 44:218–226, 2012. © 2012 Wiley Periodicals, Inc.
Investigation of the Slow Crack Growth Behavior of Static and Cyclic Loaded Specimens of Polyethylene by 2D and 3D Optical Fracture Surface Analysis
Authors: Frank Andreas , Bruckmoser Katharina , Redhead Anita , Gruber Dieter P. , Pinter Gerald 
Published: January 2012

AbstractSummary: A fracture surface investigation was conducted to study the applicability of cracked round bar (CRB) specimens for an accelerated extrapolation concept for a lifetime assessment of polyethylene (PE) pipes. Scanning electron microscopy and topography metrology with InfiniteFocus were used to study the slow crack growth behavior in CRB specimens at different loading conditions. The results confirm the compliance of the CRB test with the requirements of linear elastic fracture mechanics.
Modelling Monomer/Disc Composites Phase Behaviour
Authors: Torrens Francisco , Gómez Clara M. , Monzó Isidro S. , Abad Concepción , Campos Agustín 
Published: January 2012

AbstractSummary: A model developed by Balazs' group to explain the phase behaviour of polymer/clay composites is extended to obtain an expression for the free energy of polymer/thin disc mixtures. Phase diagrams for monomer/disc mixtures are built by minimizing the free energy and calculating the chemical potentials of the three system components. Via the comparison of the diagrams, it is studied the effects of nanodisc size and interaction parameters on mixture stability and attained morphology. The performed predictions between monomers and discs give criteria that advance the properties of the mixture. Changes in monomer concentration and interaction parameters provide a means to prevent van der Waals‐induced agglomeration. The model takes into account, in only a rather approximate manner, the long‐range interactions between clay sheets.
Contributions to the Characterization of Chlorinated Polyisoprene Surfaces
Authors: Lenko Dietmar , Schlögl Sandra , Kramer Rebecca , Kern Wolfgang , Schaller Raimund , Holzner Armin 
Published: January 2012

AbstractSummary: The present work is focused on the characterization of the surface properties and the mechanical properties of chlorinated polyisoprene films. Cross‐linked polyisoprene films were treated with acidified hypochlorite solution and the influence of the chlorination time on the surface properties was determined by spectroscopic techniques including FT‐IR spectroscopy and X‐ray photoelectron spectroscopy (XPS). The surface morphology was investigated by scanning electron microscopy (SEM), optical microscopy and contact angle measurements. In addition, the effect of the chlorination time on the tensile strength and ageing stability of natural rubber latex gloves was investigated.
The role of sodium channels in chronic pain
Authors: Levinson Simon R. , Luo Songjiang , Henry Michael A. 
Published: January 2012

AbstractHere we review recent research into the mechanisms of chronic pain that has focused on neuronal sodium channels, a target of classic analgesic agents. We first discuss evidence that specific sodium channel isoforms are essential for the detection and conduction of normal acutely painful stimuli from nociceptors. We then review findings that show changes in sodium channel expression and localization in chronic inflammation and nerve injury in animal and human tissues. We conclude by discussing the role that myelination plays in organizing and maintaining sodium channel clusters at nodes of Ranvier in normal development and how inflammatory processes or nerve injury alter the characteristics of such clusters. Based on these findings, we suggest that chronic pain may in part result from partial demyelination of axons during chronic injury, which creates aberrant sodium channel clusters that serve as sites of ectopic sensitivity or spontaneous activity. Muscle Nerve 46: 155–165, 2012