bluuebunny/crossref_metadata_2025 huggingface dataset:
Enhanced Prothrombin Formation and Platelet Activation in Chinese Patients After Transcatheter Closure of Atrial Septal Defect
Authors: Zeng Xiao‐Chun , Wu Wei‐Feng , Huang Kai , Guo Sheng‐Lan , Liu Tang‐Wei
Published: June 2010

Background

The objective of this study was to investigate changes in coagulation activation and platelet activation after transcatheter closure of atrial septal defect (ASD) by determining the levels of specific markers over time to provide insight into preventing postprocedural embolism.

Hypothesis

We hypothesis that the activation status of coagulation and the platelet would be changed after the closure of ASD.

Methods

Forty consecutive patients who underwent transcatheter closure of ASD with the Lifetech ASD occluder (Lifetech Scientific, Shenzhen, China) were included in this prospective study. The serum level of prothrombin fragment 1 + 2 (F1 + 2) and expressions of P‐selectin (CD62P) and platelet glycoprotein IIb/IIIa receptor (CD41a) on the surface of platelets were evaluated at baseline and at 1 day, 1 month, and 3 months after the closure.

Results

The median F1 + 2 level was 0.96 nmol/L. This increased to a maximal value of 1.43 nmol/L at 1 day after closure, but gradually returned to the baseline level at 1 month after closure and remained there at 3 months after closure (medians were 0.98 nmol/L and 1.08 nmol/L, respectively). Platelet surface expression of CD62P and CD41a decreased at 1 day, 1 month, and 3 months after closure. For CD62P, average expressions were 8.21% ± 2.11%, 6.28% ± 1.72%, 5.29% ± 1.52%, and 4.41% ± 1.11%, respectively, for baseline and 1 day, 1 month, and 3 months after closure. For CD41a, average expressions were 79.37% ± 14.14%, 71.98% ± 13.77, 56.69% ± 13.05%, and 54.88% ± 11.62%, respectively.

Conclusions

Transcatheter closure of ASD with the Lifetech ASD occluder was associated with significantly increased coagulation activation and decreased platelet activation. No evidence supporting the use of aspirin to prevent thrombus formation after closure was found. Copyright © 2008 Wiley Periodicals, Inc.

This work was supported by Guangxi Key Technologies R&D Programme, 0472002‐30, China. The authors have no other funding, financial relationships, or conflicts of interest to disclose.
Effect of induced magnetic field on peristaltic flow of a micropolar fluid in an asymmetric channel
Authors: Shit G. C. , Roy M. , Ng E. Y. K.
Published: June 2010

Of concern in this paper is an investigation of peristaltic transport of a physiological fluid in an asymmetric channel under long wave length and low‐Reynolds number assumptions. The flow is assumed to be incompressible, viscous, electrically conducting micropolar fluid and the effect of induced magnetic field is taken into account. Exact analytical solutions obtained for the axial velocity, microrotation component, stream line pattern, magnetic force function, axial‐induced magnetic field as well as the current density distribution across the channel. The flow phenomena for the pumping characteristics, trapping and reflux are also investigated. The results presented reveal that the velocity decreases with the increase of magnetic field as well as the coupling parameter. Moreover, the trapping fluid can be eliminated by the application of an external magnetic field. Thus, the study bears the promise of important applications in physiological systems. Copyright © 2010 John Wiley & Sons, Ltd.
A numerical treatment for the solution of the hydromagnetic peristaltic flow of a bio‐fluid with variable viscosity in a circular cylindrical tube
Authors: Sezer Sefa Anıl , Yıldırım Ahmet
Published: June 2010

In this study, we obtained a new numerical solution for the MHD peristaltic flow of a bio‐fluid with variable viscosity in a circular cylindrical tube via the homotopy perturbation method (HPM). The axial velocity is obtained in a closed form. We made comparison between the results obtained by only three terms of HPM series with those obtained previously by perturbation technique. We observe that only few terms of the series expansion are required to obtain the numerical solution with good accuracy. Copyright © 2010 John Wiley & Sons, Ltd.
Oral fluid and hair in workplace drug testing programs: new technology for immunoassays
Authors: Moore Christine
Published: June 2010

Workplace drug testing programs have embraced both oral fluid and hair as testing matrices. Saliva is popular due to its easy, rapid collection; its non‐invasiveness compared to urine or blood; the convenience of collecting a specimen anywhere, anytime; and the difficulty of adulteration. The main advantage of saliva, however, remains its suitability for post‐accident or ‘for‐cause’ testing since the presence of a parent drug can assist in the determination of an individual being ‘under the influence’ of a drug. Hair, on the other hand, is useful for workplace programs, since its ability to provide historical information on drug intake ensures it is an excellent specimen for pre‐employment testing. Both technologies have enjoyed collection and laboratory improvements for immunoassay screening over the last few years, and these are discussed in this perspective. Copyright © 2010 John Wiley & Sons, Ltd.
Acentric Polymeric Chains in Radical Cation Salts of Tetrathiafulvalene Derivatives with the p‐Carboxybenzenesulfonate Anion
Authors: Lakhdar Youssef , El‐Ghayoury Abdelkrim , Zorina Leokadiya , Mercier Nicolas , Allain Magali , Mézière Cécile , Auban‐Senzier Pascale , Batail Patrick , Giffard Michel
Published: June 2010

The noncentrosymmetric p‐carboxybenzenesulfonate anion afforded, in electro‐oxidation experiments with bis(ethylenedithio)tetrathiafulvalene (BEDT‐TTF), the low‐gap semiconductor (room‐temperature conductivity: 18 S cm–1) mixed‐valency salt BEDT‐TTF2[O3S‐C6H4‐CO2H], which is noncentrosymmetric due to head‐to‐tail arrangement of the anions, whereas EDT‐TTF‐CONHMe (EDT‐TTF = ethylenedithiotetrathiafulvalene) afforded the fully oxidized centrosymmetric salt [EDT‐TTF‐CONHMe+][HO2C‐C6H4‐SO3–] in which the driving force for the crystal packing is the existence of strong hydrogen‐bonding interactions between the anions and the amido groups of the cations.
Synthesis, Structure and Optical Studies of a Family of Three‐Dimensional Rare‐Earth Aminoisophthalates [M(μ2‐OH)(C8H5NO4)] (M = Y3+, La3+, Pr3+, Nd3+, Sm3+, Eu3+, Gd3+, Dy3+, and Er3+)
Authors: Sarma Debajit , Prabu Manikanda , Biju Silvanose , Reddy M. L. P. , Natarajan Srinivasan
Published: June 2010

A hydrothermal reaction of the acetate salts of the rare‐earths, 5‐aminoisophthalic acid (H2AIP), and NaOH at 150 °C for 3 days gave rise to a new family of three‐dimensional rare‐earth aminoisophthalates, [M(μ2‐OH)(C8H5NO4)] [M = Y3+ (I), La3+ (II), Pr3+ (III), Nd3+ (IV), Sm3+ (V), Eu3+ (VI), Gd3+ (VII), Dy3+ (VIII), and Er3+ (IX)]. The structures contain M–O(H)–M chains connected by AIP anions. The AIP ions are connected to five metal centers and each metal center is connected with five AIP anions giving rise to a unique (5,5) net. To the best of our knowledge, this is the first observation of a (5,5) net in metal‐organic frameworks that involve rare‐earth elements. The doping of Eu3+/Tb3+ ions in place of Y3+/La3+ in the parent structures gave rise to characteristic metal‐centered emission (red = Eu3+, green = Tb3+). Life‐time studies indicated that the excited emission states in the case of Eu3+ (4 mol‐% doped) are in the range 0.287–0.490 ms and for Tb3+ (4 mol‐% doped) are in the range of 1.265–1.702 ms. The Nd3+‐containing compound exhibits up‐conversion behavior based on two‐photon absorption when excited using λ = 580 nm.
Synthesis, Structure and in Vitro Biological Screening of Palladium(II) Complexes of Functionalised Salicylaldimine Thiosemicarbazones as Antimalarial and Anticancer Agents
Authors: Chellan Prinessa , Shunmoogam‐Gounden Nelusha , Hendricks Denver T. , Gut Jiri , Rosenthal Philip J. , Lategan Carmen , Smith Peter J. , Chibale Kelly , Smith Gregory S.
Published: June 2010

A series of mononuclear salicylaldiminato(thiosemicarbazone)palladium(II) complexes of general formula [Pd(saltsc‐R)PPh3], {H2saltsc‐R = salicylaldehyde thiosemicarbazone; R = H (5), 3‐tert‐butyl (6), 3‐methoxy (7), 5‐chloro (8)} have been synthesized. The palladium complexes were prepared by the reaction of the appropriate salicylaldimine thiosemicarbazone with Pd(PPh3)2Cl2. All complexes were characterised by a range of spectroscopic and analytical techniques. The molecular structures of 6–8 have been determined by single‐crystal X‐ray diffraction analysis. The salicylaldimine thiosemicarbazones coordinate to palladium in a tridentate manner, through the phenolic oxygen, imine nitrogen and thiolate sulfur, forming five‐and six‐membered chelate rings within their structures. The fourth coordination site for these square‐planar complexes is occupied by PPh3. Biological activities of the thiosemicarbazone ligands and palladium complexes have been investigated toward the WHCO1 oesophageal cancer cell line and against two strains of the malaria parasite Plasmodium falciparum, W2 (chloroquine‐resistant) and D10 (chloroquine‐sensitive). The palladium(II) complexes show enhanced in vitro antiplasmodial activity in comparison with their thiosemicarbazone ligand precursors. On the other hand, in vitro anticancer activity studies on oesophageal cancer cell lines revealed a decrease in activity upon coordination of palladium to the thiosemicarbazone ligand.
Direct Electrochemical Oxidation of Cellulose: A Cellulose‐Based Fuel Cell System
Authors: Sugano Yasuhito , Vestergaard Mun'delanji , Yoshikawa Hiroyuki , Saito Masato , Tamiya Eiichi
Published: June 2010

Direct electricity generation from cellulose without saccharification and fermentation processes was achieved on gold electrode under the alkaline conditions. We (i) overcame problems with the insolubility of cellulose, and captured its electrochemical potential, and (ii) showed that cellulose was converted to cellulose derivatives due to electrochemical oxidation. In addition, we (iii) constructed a cellulose‐based fuel cell, demonstrating that cellulose can be direct electrical based fuel source. The presented fuel cell system overcomes the enormous distribution challenges encountered with other alternative bioenergy sources such as hydrogen.
Electrochemical Measurements on Supported Phospholipid Bilayers: Preparation, Properties and Ion Transport Using Incorporated Ionophores
Authors: Navrátil Tomáš , Šestáková Ivana , Štulík Karel , Mareček Vladimír
Published: June 2010

Model phospholipid bilayers (PLBs) were prepared from 1,2‐dipalmitoyl‐sn‐glycero‐3‐phosphocholine (DPPC) and 1,2‐dipalmitoyl‐sn‐glycero‐3‐phosphoethanolamine (DPPE) on a polycarbonate support and characterized by electrochemical impedance spectroscopy (EIS) measurements. The PLBs were formed by self‐assembling in the 8.0 μm holes of the Isopore Membrane Filters, ionophores valinomycin and calcimycin (A23187) were incorporated. The effect of the applied voltage was monitored and reversible changes were observed. The ion transport across supported PLBs (SPLB) from DPPC was studied voltammetrically on the example of the cadmium ion and the ionophore calcimycin. Complex behavior was observed for cadmium ion transport with this ionophore in the presence of calcium ions.
Localised Measurements of pH and Dissolved Oxygen as Complements to SVET in the Investigation of Corrosion at Defects in Coated Aluminum Alloy
Authors: Bastos A. C. , Karavai O. V. , Zheludkevich M. L. , Yasakau K. A. , Ferreira M. G. S.
Published: June 2010

This paper presents measurements of local pH and local oxygen reduction current performed to complement SVET (Scanning Vibrating Electrode Technique) in the characterization of the chemical environment near artificial defects on coated 2024‐T3 aluminum alloy during corrosion and inhibition. The main purpose is to give examples on how micropotentiometry and microamperometry can add supplementary information to SVET, providing important insights for the understanding of corrosion mechanisms and inhibition processes necessary to develop effective self‐healing coatings.
History of Electroanalytical Methods
Authors: Lubert Karl‐Heinz , Kalcher Kurt
Published: June 2010

There are many historical reviews on electrochemistry as well as on analytical chemistry, where‐as hardly any survey of the history of electroanalytical methods exists. This contribution is an approach to provide a short overview on the development of the electroanalytical methods, electrodes and electrochemical sensors. Electrogravimetry belongs to the oldest quantitative procedures introduced 1864 by Wolcott Gibbs. Roots are even older and are represented by “voltameters”. Closely related to electrogravimetry is coulometry, which is also based on Faraday's laws; early applications comprise determinations of atomic masses and of thin metal layers. Conductivity measurements are also a rather old analytical method, applied (with direct current) in the 18th century already. The effective procedure was developed in the 1860s after the use of alternating current by Friedrich Kohlrausch. The Nernst equation (1889) was the base for direct potentiometry, e.g., determination of sparingly soluble electrolytes. Max Cremer is the inventor of the glass electrode (1906), which is the first electrochemical sensor. Potentiometric indication of titrations by Robert Behrend (1883) was the first instrumental indication in volumetric analysis. The invention of polarography by Jaroslav Heyrovský (1922) is the starting point of the electroanalysis with the dropping mercury electrode. The polarograph, developed in cooperation with Masuro Shikata, was the first automated analytical device. As a follow‐up various methods (e.g., pulse and alternating current methods) as well as voltammetry including stripping analysis have gained importance. Further development of electroanalysis is characterized by new electrodes and electrode materials, e.g., stationary mercury electrodes, carbon‐paste electrodes, chemically modified electrodes, and increased application of electrochemical sensors.
Social identity in eating disorders
Authors: Ison Julie , Kent Sarah
Published: June 2010

This qualitative study examines social identity in eating disorders. Semi‐structured interviews were conducted with eight females with an eating disorder diagnosis. Interpretative phenomenological analysis (IPA) was used to analyse the data. Three superordinate themes emerged from participants' accounts: (1) Shifts in social identity; (2) Outgroup perceptions and influences and (3) Eating disorders as an ingroup. The findings suggested that a person's social identity can change during the course of having an eating disorder, and an interaction between social identity and a person's recovery from an eating disorder was proposed. Clinical implications, methodological issues, and directions for future research were discussed. Copyright © 2010 John Wiley & Sons, Ltd and Eating Disorders Association.
Addressing the EDNOS issue and improving upon the utility of DSM‐IV: Classifying eating disorders using symptom profiles
Authors: Dunn Erin C. , Geller Josie , Brown Krista E. , Bates Mollie E.
Published: June 2010

Objective

To compare the descriptive and clinical utility of two classification systems: DSM‐IV eating disorder diagnoses and proposed symptom profiles. The symptom profiles are based on the presence of overvalued ideas about shape/weight, as well as combinations of three key eating disorder symptoms (e.g. body mass index (BMI) above or below threshold and the presence or absence of bingeing and purging behaviours).

Method

The two systems were compared on their ability to offer descriptively useful information in classifying individuals with eating disorders. In addition, we examined our system's unique contribution to clinical outcome and its relation to readiness for change.

Results

Classifying individuals via symptom profiles provided information about eating disorder not otherwise specified (EDNOS), a prevalent, heterogeneous and under‐researched diagnostic category. Symptom profiles outperformed the DSM‐IV diagnostic system in the ability to account for variation in patients' decision to enrol in treatment, performing comparably to readiness for change.

Conclusion

Classifying individuals according to symptom profile and readiness for change appears to have more descriptive and clinical utility than the current diagnostic system. Copyright © 2010 John Wiley & Sons, Ltd and Eating Disorders Association.
Toward a comprehensive prognostic scoring system in chronic lymphocytic leukemia based on a combination of genetic parameters
Authors: Haferlach Claudia , Dicker Frank , Weiss Tamara , Schnittger Susanne , Beck Christian , Grote‐Metke Albert , Oruzio Daniel , Kern Wolfgang , Haferlach Torsten
Published: June 2010

Chronic lymphocytic leukemia (CLL) is a heterogeneous disease with a variable clinical course. The aim of this study was to evaluate whether a combination of genetic parameters can improve prediction of outcome irrespective of clinical stage. The prognostic impact of chromosome banding analysis (CBA) in addition to FISH and IgVH mutation status was evaluated. In total, 482 patients were analyzed, but evaluation of prognostic factors was restricted to 399 untreated cases. The prognostic significance of age, white blood cell (WBC) count, IgVH status, and TP53 and ATM deletions was confirmed. In addition, a prognostic impact of translocations involving the IGH@ locus (t(IgH)) and of a complex aberrant karyotype was found. On the basis of these results, we propose a scoring system for overall survival (OS) based on: age ≥65 years, WBC ≥20 × 109/l, unmutated IgVH status, TP53 deletion, t(IgH), and the number of chromosome aberrations observed with CBA. Three risk groups showed considerable differences in OS (94.5% vs. 64.3% vs. 41.1% surviving at 5 years, P < 0.0001). Time to treatment (TTT) can be predicted best by unmutated IgVH status, ATM deletion, t(IgH), and number of chromosome aberrations. Four distinct subgroups were separated with median TTT of 110.7 months, 39.8 months, 19.5 months, and 3.8 months, respectively (P < 0.0001). In conclusion, cytogenetic data from CBA add prognostic information. The proposed scoring systems for OS and TTT based on a combination of genetic markers improve the separation of prognostic subgroups in CLL already early in the course of the disease. © 2010 Wiley‐Liss, Inc.
Design of association studies with pooled or un‐pooled next‐generation sequencing data
Authors: Kim Su Yeon , Li Yingrui , Guo Yiran , Li Ruiqiang , Holmkvist Johan , Hansen Torben , Pedersen Oluf , Wang Jun , Nielsen Rasmus
Published: June 2010

Most common hereditary diseases in humans are complex and multifactorial. Large‐scale genome‐wide association studies based on SNP genotyping have only identified a small fraction of the heritable variation of these diseases. One explanation may be that many rare variants (a minor allele frequency, MAF <5%), which are not included in the common genotyping platforms, may contribute substantially to the genetic variation of these diseases. Next‐generation sequencing, which would allow the analysis of rare variants, is now becoming so cheap that it provides a viable alternative to SNP genotyping. In this paper, we present cost‐effective protocols for using next‐generation sequencing in association mapping studies based on pooled and un‐pooled samples, and identify optimal designs with respect to total number of individuals, number of individuals per pool, and the sequencing coverage. We perform a small empirical study to evaluate the pooling variance in a realistic setting where pooling is combined with exon‐capturing. To test for associations, we develop a likelihood ratio statistic that accounts for the high error rate of next‐generation sequencing data. We also perform extensive simulations to determine the power and accuracy of this method. Overall, our findings suggest that with a fixed cost, sequencing many individuals at a more shallow depth with larger pool size achieves higher power than sequencing a small number of individuals in higher depth with smaller pool size, even in the presence of high error rates. Our results provide guidelines for researchers who are developing association mapping studies based on next‐generation sequencing. Genet. Epidemiol. 34: 479–491, 2010. © 2010 Wiley‐Liss, Inc.
Using evidence for population stratification bias in combined individual‐ and family‐level genetic association analyses of quantitative traits
Authors: Mirea Lucia , Sun Lei , Stafford James E. , Bull Shelley B.
Published: June 2010

Genetic association studies are generally performed either by examining differences in the genotype distribution between individuals or by testing for preferential allele transmission within families. In the absence of population stratification bias (PSB), integrated analyses of individual and family data can increase power to identify susceptibility loci [Abecasis et al., 2000. Am. J. Hum. Genet. 66:279–292; Chen and Lin, 2008. Genet. Epidemiol. 32:520–527; Epstein et al., 2005. Am. J. Hum. Genet. 76:592–608]. In existing methods, the presence of PSB is initially assessed by comparing results from between‐individual and within‐family analyses, and then combined analyses are performed only if no significant PSB is detected. However, this strategy requires specification of an arbitrary testing level αPSB, typically 5%, to declare PSB significance. As a novel alternative, we propose to directly use the PSB evidence in weights that combine results from between‐individual and within‐family analyses. The weighted approach generalizes previous methods by using a continuous weighting function that depends only on the observed P‐value instead of a binary weight that depends on αPSB. Using simulations, we demonstrate that for quantitative trait analysis, the weighted approach provides a good compromise between type I error control and power to detect association in studies with few genotyped markers and limited information regarding population structure. Genet. Epidemiol. 34: 502–511, 2010. © 2010 Wiley‐Liss, Inc.
Modeling maternal‐offspring gene‐gene interactions: the extended‐MFG test
Authors: Childs Erica J. , Palmer Christina G.S. , Lange Kenneth , Sinsheimer Janet S.
Published: June 2010

Maternal‐fetal genotype (MFG) incompatibility is an interaction between the genes of a mother and offspring at a particular locus that adversely affects the developing fetus, thereby increasing susceptibility to disease. Statistical methods for examining MFG incompatibility as a disease risk factor have been developed for nuclear families. Because families collected as part of a study can be large and complex, containing multiple generations and marriage loops, we create the Extended‐MFG (EMFG) Test, a model‐based likelihood approach, to allow for arbitrary family structures. We modify the MFG test by replacing the nuclear‐family based “mating type” approach with Ott's representation of a pedigree likelihood and calculating MFG incompatibility along with the Mendelian transmission probability. In order to allow for extension to arbitrary family structures, we make a slightly more stringent assumption of random mating with respect to the locus of interest. Simulations show that the EMFG test has appropriate type‐I error rate, power, and precise parameter estimation when random mating holds. Our simulations and real data example illustrate that the chief advantages of the EMFG test over the earlier nuclear family version of the MFG test are improved accuracy of parameter estimation and power gains in the presence of missing genotypes. Genet. Epidemiol. 34: 512–521, 2010.© 2010 Wiley‐Liss, Inc.
Current awareness in geriatric psychiatry
Authors:   John Wiley & Sons, Ltd.
Published: June 2010

In order to keep subscribers up‐to‐date with the latest developments in their field, John Wiley & Sons are providing a current awareness service in each issue of the journal. The bibliography contains newly published material in the field of geriatric psychiatry. Each bibliography is divided into 9 sections: 1 Reviews; 2 General; 3 Assessment; 4 Epidemiology; 5 Therapy; 6 Care; 7 Dementia; 8 Depression; 9 Psychology. Within each section, articles are listed in alphabetical order with respect to author. If, in the preceding period, no publications are located relevant to any one of these headings, that section will be omitted
Improving the resistance to sliding contact damage of zirconia using elastic gradients
Authors: Kim Jae‐Won , Liu Lela , Zhang Yu
Published: June 2010

Zirconia‐based ceramics with high strength have been identified as a material of choice for sliding components in a variety of biomedical and engineering applications. Despite the high flexural strength, zirconia prostheses are still vulnerable to wear and surface damage. We hypothesize that such tribological damage may be substantially mitigated by an engineered grading of elastic modulus at the ceramic surface. In this study, graded structures were fabricated by infiltrating glass into the top and bottom surfaces of zirconia plates, with resulting diminished modulus in the outer surfaces. The plates were then subjected to frictional sliding tests using a hard spherical indenter. Compared with noninfiltrated controls, infiltrated specimens showed a significant increase in the fracture loads, by over a factor of 3. The increase in the sliding contact resistance is attributed to the diminishing tensile stresses at the graded lower modulus surface. The results confirm that suitably graded structures can be highly beneficial in the design of next‐generation orthopedic and dental prostheses. © 2010 Wiley Periodicals, Inc. J Biomed Mater Res Part B: Appl Biomater, 2010.
Modeling biological nutrient removal in a liquid–solid circulating fluidized bed bioreactor
Authors: Chowdhury Nabin , Nakhla George , Sen Dipankar , Zhu Jesse
Published: June 2010

BACKGROUND: Both laboratory‐scale and pilot‐scale liquid–solid circulating fluidized bed (LSCFB) bioreactors have demonstrated excellent biological nutrient removal (BNR) from municipal wastewater. In this study, a model for the LSCFB for biological nutrient removal has been developed, calibrated, and validated using pilot‐scale experimental results.

RESULTS: An efficient reactor arrangement predicted anoxic–anaerobic and aerobic biofilm thicknesses of 150–400 and 70–175 µm in the riser and downer, respectively. Furthermore, distribution of chemical oxygen demand (COD), NH4‐N, NOX‐N, and dissolved oxygen in the biofilm, as well as nutrients removed in the aerobic and anoxic zones, reflect nitrification, denitrification and enhanced biological phosphorus removal in the LSCFB. The model predicted both anoxic effluent and final effluent COD, SCOD, SBOD, NH4‐N, NO3‐N, TKN, TN, PO4‐P, and TP were within the 95% confidence intervals of the experimental data. Model‐predicted simultaneous nitrification/denitrification occurring in the aerobic downer.

CONCLUSION: This model developed for LSCFB using the AQUIFAS biofilm diffusion model successfully evaluated the process performance. It is an efficient tool for further research, design, and optimization of the fixed film bioreactor. Copyright © 2010 Society of Chemical Industry
Ethanosolv pretreatment of barley straw with iron(III) chloride for enzymatic saccharification
Authors: Kim Youngran , Yu Anna , Han Minhee , Choi Gi‐Wook , Chung Bongwoo
Published: June 2010

BACKGROUND: Barley straw is a potential lignocellulosic biomass for the production of bioethanol because of its high cellulose and hemicelluloses content. Ethanosolv pretreatment catalyzed with inorganic acids has some undesirable effects, and thus, inorganic salts, such as FeCl3, were studied as the catalyst in order to enhance enzymatic digestibility.

RESULTS: The addition of 0.1 mol L−1 FeCl3 (Iron(III) chloride) had a particularly strong effect on the enzymatic digestibility, reaching a value as high as 89%, with cellulose recovery as high as 90% after the ethanosolv pretreatment. The enzymatic digestibility was 89% and 55% after the addition of 0.1 mol L−1 FeCl3 and H2SO4 (adjusted to the same pH), respectively. The enzymatic hydrolysis rate was significantly accelerated as the ethanosolv temperature increased, reaching the highest enzymatic digestibility of 89% after 72 h at 170 °C. The concentrations of HMF(5‐hydroxy‐2‐ methyl furfural) and furfural were 0.011 and 0.148 g L−1 in the hydrolysate during FeCl3‐ethanosolv treatment, which were lower than the concentrations quantified during H2SO4‐ethanosolv treatment. After the pretreatment, 88.5% of FeCl3 was removed through the filtration process.

CONCLUSION: The addition of several inorganic salts significantly accelerated enzymatic digestibility in the ethanosolv. FeCl3 had a particularly strong effect on enzymatic digestibility and cellulose recovery. The formation of HMF and furfural and the remaining amount of FeCl3 were investigated, and FeCl3 had no effect on the subsequent processes after pretreatment. Copyright © 2010 Society of Chemical Industry
A conformal mapping‐based approach for fast two‐dimensional FEM electrostatic analysis of MEMS devices
Authors: Sumant Prasad S. , Cangellaris Andreas C. , Aluru Narayana R.
Published: June 2010

In this paper, a methodology is proposed for expediting the coupled electro‐mechanical two‐dimensional finite element modeling of electrostatically actuated MEMS. The proposed methodology eliminates the need for repeated finite element meshing and subsequent electrostatic modeling of the device during mechanical deformation. We achieve this by mapping the deformed electrostatic domain to the reference undeformed domain ‘conformally’. A ‘conformal’ map preserves the form of the Laplace equation and the boundary conditions; thus the electrostatic problem is solved only once in the undeformed electrostatic domain. The conformal map itself is generated through the solution of the same Laplace equation on the undeformed geometry and with displacement boundary conditions dictated by the movement of the mechanical domain. The proposed methodology is demonstrated through its application to the modeling of three MEMS devices with varying length‐to‐gap ratios, multiple dielectrics and complicated geometries. The accuracy of the proposed methodology is confirmed through comparisons of its results with results obtained using the conventional finite element solution. Copyright © 2010 John Wiley & Sons, Ltd.
Interannual to decadal changes in extreme fire weather event frequencies across the southwestern United States
Authors: Crimmins Michael A.
Published: June 2010

Low‐frequency changes (decades to years) in precipitation related to the El Niño‐Southern Oscillation (ENSO) and the Pacific Decadal Oscillation (PDO) are known to influence wildfire variability across the southwest United States. Little work has been done to identify whether daily fire weather variability, also important to wildfire activity, is influenced by these same climatic phenomena. This study identifies the synoptic climatological conditions associated with extreme fire weather events in the Southwest and constructs an extreme fire weather frequency data set for the period of 1958–2003 using a logistic regression technique. Interannual changes in extreme fire weather day frequencies are not linearly correlated with either ENSO or PDO, but do show significant deviations from expected values when grouped by PDO phase (positive or negative) and further subgrouped by ENSO state (La Niña, El Niño or neutral). A higher number of extreme fire weather days occur during the negative phase of the PDO, especially when accompanied by a La Niña event. Copyright © 2010 Royal Meteorological Society
Extreme precipitation of the Waikato region, New Zealand
Authors: Dravitzki Stacey , McGregor James
Published: June 2010

This study investigates the relationship between regional precipitation and large‐scale climate variations. The Waikato is an economically important region of New Zealand that is dependant on a reliable source of precipitation for agriculture and hydroelectric power generation, but is also prone to flooding. Previous long‐term precipitation studies have represented this region by a single rain gauge. This study has incorporated more data from more rain gauges and extended the analysis period to 107 years, 1900–2007.

The meteorological causes of extreme precipitation events within the region were examined. This identified that heavy precipitation is associated with periods of increased baroclinicity that produces a rapid sequence of mid‐latitude cyclones or the presence of a blocking high to the east of New Zealand.

A regionally representative time series was used to compare known climate variations to the occurrence and magnitude of extreme precipitation events. Since 1900 there have been no significant variations in the total annual precipitation nor in the occurrence or magnitude of extreme precipitation events, indicating that the precipitation resource in this region is dependable. Events were also uncorrelated to the large‐scale Interdecadal Pacific Oscillation, El Niño–Southern Oscillation and Southern Annular Mode indicating that the seasonal probability of extreme precipitation is independent of these circulations. Copyright © 2010 Royal Meteorological Society
Identification and classification of organic and inorganic components of particulate matter via Raman spectroscopy and chemometric approaches
Authors: Schumacher Wilm , Kühnert Michael , Rösch Petra , Popp Jürgen
Published: June 2010

In this paper, a novel method for developing a tree‐like classifier which differentiates between organic and inorganic particulate matter by means of Raman spectroscopy is introduced. The algorithm is fully automatic and optimises itself without any human interaction. This method uses a tree‐like structure to classify Raman spectra as a decision tree. On every knot of this tree, the optimal classifier is automatically obtained, tested and trained. The optimal classifier is an artificial neural network, linear discriminant analysis or a support vector machine, where different kernels are possible. The support vector machine is optimised by the simulated annealing method to achieve the best possible classifier. After the training, a hold‐out experiment with two completely independent sets of Raman spectra was tried to show the abilities of this method for real‐world application. Copyright © 2010 John Wiley & Sons, Ltd.
Determination of fluoroquinolone antibiotics in wastewater using ultra high‐performance liquid chromatography with mass spectrometry and fluorescence detection
Authors: Seifrtová Marcela , Aufartová Jana , Vytlačilová Jitka , Pena Angelina , Solich Petr , Nováková Lucie
Published: June 2010

A new ultra HPLC (UHPLC) method using both MS and fluorescence detection (FD) was developed for the determination of five fluoroquinolones in wastewaters. Systematic method development approach was compared with a conventional one. During the systematic approach, a possibility of automatic switching among four independent analytical columns of different chemistries has been used. Acidic as well as basic pH using ACN and methanol as organic modifiers was tested. The best separation of fluoroquinolones was obtained on phenyl analytical column at pH 10.5, which is a completely novel approach for separation of fluoroquinolones. Further, a new SPE procedure was developed for the sample preparation using basic pH as well. The sensitivity and selectivity of FD and MS detection were compared. FD at basic pH 10.5 demonstrated lower sensitivity than at acidic pH, which is conventionally performed. At basic pH, UHPLC‐MS/MS was found about two orders of magnitude more sensitive than FD. Both methods were validated and subsequently UHPLC‐FD method was used for the evaluation of stability of fluoroquinolones. UHPLC‐MS/MS method was used for the analysis of wastewater samples. Norfloxacin and ciprofloxacin were detected in samples of influent and effluent from wastewater treatment plant. Ofloxacin was detected only in influent from wastewater treatment plant.
Compensating for variation in 1JCH coupling constants in HSQC spectra acquired on small organic molecules
Authors: Howe Peter W. A.
Published: June 2010

The HSQC sequence provides a sensitive way of determining the 13C chemical shift of protonated carbons. It uses INEPT elements for magnetization transfer, which can only be optimized for one value of 1JCH, but small organic molecules contain a wide range of 1JCH values. One popular method of compensating for 1JCH variation is to incorporate adiabatic pulses into the INEPT elements. This article shows that this method fails for a significant subset of functional groups. It also shows that the effects of this failure can be reduced by avoiding refocusing delays and by using a J‐compensated excitation element. Copyright © 2010 John Wiley & Sons, Ltd.
P1‐conservative solution interpolation on unstructured triangular meshes
Authors: Alauzet F. , Mehrenberger M.
Published: June 2010

This paper presents an interpolation operator on unstructured triangular meshes that verifies the properties of mass conservation, P1‐exactness (order 2), and maximum principle. This operator is important for the resolution of the conservation laws in computational fluid dynamics by means of mesh adaptation methods as the conservation properties are not verified throughout the computation. Indeed, the mass preservation can be crucial for the simulation accuracy. The conservation properties are achieved by local mesh intersection and quadrature formulae. Derivatives reconstruction are used to obtain an order 2 method. Algorithmically, our goal is to design a method that is robust and efficient. The robustness is mandatory to apply the operator to highly anisotropic meshes. The efficiency will permit the extension of the method to dimension 3. Several numerical examples are presented to illustrate the efficiency of the approach. Copyright © 2010 John Wiley & Sons, Ltd.
Proposing a way forward: A review of standardisation in the use of age categories and ageing techniques in osteological analysis (2004–2009)
Authors: Falys C. G. , Lewis M. E.
Published: June 2010

This study assesses the current state of adult skeletal age‐at‐death estimation in biological anthropology through analysis of data published in recent research articles from three major anthropological and archaeological journals (2004–2009). The most commonly used adult ageing methods, age of ‘adulthood’, age ranges and the maximum age reported for ‘mature’ adults were compared. The results showed a wide range of variability in the age at which individuals were determined to be adult (from 14 to 25 years), uneven age ranges, a lack of standardisation in the use of descriptive age categories and the inappropriate application of some ageing methods for the sample being examined. Such discrepancies make comparisons between skeletal samples difficult, while the inappropriate use of some techniques make the resultant age estimations unreliable. At a time when national and even global comparisons of past health are becoming prominent, standardisation in the terminology and age categories used to define adults within each sample is fundamental. It is hoped that this research will prompt discussions in the osteological community (both nationally and internationally) about what defines an ‘adult’, how to standardise the age ranges that we use and how individuals should be assigned to each age category. Skeletal markers have been proposed to help physically identify ‘adult’ individuals. Copyright © 2010 John Wiley & Sons, Ltd.
DFT studies on the cascade rearrangement reactions of the cubylcarbinyl radical
Authors: Zhang Qing‐Li , Chen Bo‐Zhen
Published: June 2010

DFT (U)B3LYP calculations with the 6‐311 + G** basis set were carried out to investigate the mechanisms of cascade rearrangement reactions (involving eight reaction channels) of the cubylcarbinyl radical (radical 1). The rate constant for each reaction step was calculated on the basis of the conventional transition state theory. The reaction channel from radical 1 to the 4‐(4‐methylenecyclobut‐2‐enyl) radical is preferred kinetically, while the reaction channel from radical 1 to the 1‐homocubyl radical is unfavorable. The mechanism of the conversion from radical 1 to the tricyclic dienes radical, which is experimentally uncertain, is predicted to be a stepwise process with the methylenesecocubyl radical as an intermediate instead of a concerted reaction. The energy barrier and rate constant of the initial reaction step are evaluated to be 2.8 kcal/mol and 3.0 × 1010 s−1, respectively, in excellent agreement with the corresponding experimental values. Copyright © 2010 John Wiley & Sons, Ltd.
Temperature‐dependent structural changes in intrinsically disordered proteins: Formation of α‒helices or loss of polyproline II?
Authors: Kjaergaard Magnus , Nørholm Ann‒Beth , Hendus‒Altenburger Ruth , Pedersen Stine F. , Poulsen Flemming M. , Kragelund Birthe B.
Published: June 2010

Structural characterization of intrinsically disordered proteins (IDPs) is mandatory for deciphering their potential unique physical and biological properties. A large number of circular dichroism (CD) studies have demonstrated that a structural change takes place in IDPs with increasing temperature, which most likely reflects formation of transient α‒helices or loss of polyproline II (PPII) content. Using three IDPs, ACTR, NHE1, and Spd1, we show that the temperature‐induced structural change is common among IDPs and is accompanied by a contraction of the conformational ensemble. This phenomenon was explored at residue resolution by multidimensional NMR spectroscopy. Intrinsic chemical shift referencing allowed us to identify regions of transiently formed helices and their temperature‐dependent changes in helicity. All helical regions were found to lose rather than gain helical structures with increasing temperature, and accordingly these were not responsible for the change in the CD spectra. In contrast, the nonhelical regions exhibited a general temperature‐dependent structural change that was independent of long‐range interactions. The temperature‐dependent CD spectroscopic signature of IDPs that has been amply documented can be rationalized to represent redistribution of the statistical coil involving a general loss of PPII conformations.
Michael Elliott's billion dollar crystals and other discoveries in insecticide chemistry
Authors: Casida John E
Published: June 2010

The crowning achievement for Michael Elliott came in 1973 when his most outstanding candidate insecticide from 25 years of research crystallized from hexane solution. The stereochemically pure crystalline compound was the most potent synthetic insecticide ever made until that time, and it was highly selective for insects compared with mammals. It was given the name deltamethrin. Sequential stereospecific crystallization to isolate the most potent epimer and base‐catalyzed racemization of the remaining less active isomer could be used to produce deltamethrin efficiently on a large scale; it became the billion dollar crystals. Elliott's discoveries at Rothamsted in England with Norman Janes and David Pulman of resmethrin, permethrin, cypermethrin and ultimately deltamethrin provided crop protection and malaria control for millions of people. Michael also laid the background for lipophilic amide, dithiane and other insecticides and nerve probes that are not involved in pyrethroid cross‐resistance. Some aspects of these investigations were best conducted at Berkeley, where Michael studied pyrethrins in 1969, synthetic pyrethroids in 1974 and alternative insecticides in 1986–1988. This review considers Michael's seminal discoveries in insecticide chemistry, with emphasis on his Berkeley years. Copyright © 2010 Society of Chemical Industry
Testing insecticide resistance management strategies: mosaic versus rotations
Authors: Zhao Jian‐Zhou , Collins Hilda L , Shelton Anthony M
Published: June 2010

BACKGROUND: Developing scientifically valid, economically acceptable insecticide resistance management (IRM) programs is critical for sustainable insect management. The diamondback moth, Plutella xylostella (L.), has demonstrated an ability to develop resistance to many different classes of insecticides, including proteins produced by the bacterium Bacillus thuringiensis Berliner (Bt). Recently it has developed resistance to the novel compounds spinosad and indoxacarb. In greenhouse cage experiments, a laboratory‐selected population of P. xylostella resistant to spinosad, indoxacarb and Bt was used to compare population growth and resistance evolution if these three insecticides were rotated or used in a mosaic fashion.

RESULTS: The average population density through nine generations was lowest in the treatment in which the insecticide was rotated every generation (R‐1) (x̄ = 20.7 ± 3.20) compared with the treatment in which the insecticide was rotated every third generation (R‐3) (x̄ = 41.4 ± 17.6) or where the insecticides were applied as a mosaic (M) (x̄ = 41.8 ± 6.53). After nine generations, the survival of resistant individuals increased for each insecticide (7.2–73.5%) compared with the population without selection (CK) (0.73–3.1%). Survival on spinosad was significantly lower (23.7%) in the single‐generation rotation than for the other two treatments, both of which exceeded 72%. The calculated survival on all three insecticides treated simultaneously, according to the survival on each insecticide, was 0.26, 0.81 and 1.6% for R‐1, R‐3 and M treatments respectively.

CONCLUSION: Results of both population density and resistance development indicated that insecticide rotation every generation was better for IRM than if the insecticide was rotated every third generation or if the three insecticides were applied as a mosaic. Copyright © 2010 Society of Chemical Industry
Benzhydrylamine linker grafting: a strategy for the improved synthesis of C‐terminal peptide amides
Authors: Alewood Dianne , Hopping Gene , Brust Andreas , Reid Robert C. , Alewood Paul F.
Published: June 2010

The standard p‐MBHA resin used during Boc‐chemistry synthesis of peptides carrying C‐terminal carboxamides is compromised by batch‐to‐batch variations in its performance. This can cause artificially ‘difficult’ couplings during peptide chain assembly, which may ultimately lead to failed syntheses given the inability to achieve acceptable coupling yields. To overcome these problems, we have developed a new approach by grafting a functionalized benzhydrylamine linker onto well‐characterized and well‐performing PAM resins. We combine optimized Boc‐chemistry, high‐performing PAM resins and new benzhydrylamine‐based linkers to achieve improved syntheses of peptide amides. Here we present the synthesis of two new benzhydrylamine linkers and their attachment to selected PAM resins. This novel solid support was evaluated through the synthesis of selected ‘difficult’ conotoxins and monitoring the coupling efficiency using quantitative ninhydrin assay. The results show a superior performance of the novel linker solid support compared to the standard p‐MBHA resins routinely used. In summary, we describe an alternative linker‐resin system that allows improved access to C‐terminal amide peptides employing Boc/Bzl chemistry. Copyright © 2010 European Peptide Society and John Wiley & Sons, Ltd.