bluuebunny/crossref_metadata_2025 huggingface dataset:
Changes in the mean and extreme geostrophic wind speeds in Northern Europe until 2100 based on nine global climate models
Authors: Gregow Hilppa , Ruosteenoja Kimmo , Pimenoff Natalia , Jylhä Kirsti
Published: August 2011

This study aims at analyzing the mean and extreme geostrophic wind speeds in Northern Europe. The analyses are based on nine global climate models and the Special Report on Emission Scenarios (SRES) A1B, A2 and B1 scenarios. The time frames studied consist of the baseline 1971–2000 and the future periods 2046–2065 and 2081–2100. The SRES scenarios are considered both separately and combined. The extremes are calculated for the September–April period for various return periods. The analysis is done by applying the program R and the Generalized Extreme Value ‐methodology.

All projections indicate that both the mean and extreme geostrophic wind speeds will increase in the southern and eastern parts of Northern Europe and decrease over the Norwegian Sea in September–April. The change over the ocean is pronounced already in 2046–2065, over the continents in 2081–2100. For the model mean, the smallest change (2–6%) was projected under the B1 and the largest (4–10%) under the A1B and A2 scenarios. However, spread among the individual global circulation models (GCMs) was fairly large.

The ratios between the return level estimates for various return periods and the annual maximum wind speeds were found nearly homogeneously independent of the time frame studied. For the baseline and future periods, the extreme winds occurring once in 10 or 50 years were 13% ± 2% and 22% ± 5% stronger than the mean annual maxima, respectively. The present findings serve as support for risk assessment such as required when planning the forest management practices. Copyright © 2011 Royal Meteorological Society
Edge‐loading severity as a function of cup lip radius in metal‐on‐metal total hips—A finite element analysis
Authors: Elkins Jacob M. , Kruger Karen M. , Pedersen Douglas R. , Callaghan John J. , Brown Thomas D.
Published: August 2011

While favorable tribological properties and allowance for larger femoral head sizes have made metal‐on‐metal (MoM) bearings an increasingly popular choice for total hip arthroplasty, concerns have mounted regarding adverse reactions to metal wear debris and ions. MoM cups differ from conventional polyethylene cups in terms of edge profile design and reductions from full hemisphericity, suggesting differences in loading at or near the cup edge, especially during subluxation events. Finite element analysis was used to investigate the effects of cup orientation and lip edge curvature on damage propensity for edge or near‐edge loading during subluxation. Increased cup lip radius (resulting in reduced articular arc) had a detrimental effect upon subluxation‐free hip range of motion and upon dislocation resistance. Contact stresses near the cup edge demonstrated complex relationships between edge radius and cup orientation, with peak stresses being influenced by both variables. The tendency for scraping wear at the egress site demonstrated similarly complex dependencies. These data indicate that acetabular cup design is an important determinant of edge and near‐edge loading damage propensity. © 2011 Orthopaedic Research Society Published by Wiley Periodicals, Inc. J Orthop Res 30:169–177, 2012
A thioester substrate binds to the enzyme Arthrobacter thioesterase in two ionization states: evidence from Raman difference spectroscopy
Authors: Dong Jian , Zhuang Zhihao , Song Feng , Dunaway‐Mariano Debra , Carey Paul R.
Published: August 2011

4‐Hydroxybenzoyl‐CoA (4‐HB‐CoA) thioesterase from Arthrobacter is the final enzyme catalyzing the hydrolysis of 4‐HB‐CoA to produce coenzyme A and 4‐hydroxybenzoic acid in the bacterial 4‐chlorobenzoate dehalogenation pathway. Using a mutation E73A that blocks catalysis, stable complexes of the enzyme and its substrate can be analyzed by Raman difference spectroscopy. Here we have used Raman difference spectroscopy, in the non‐resonance regime, to characterize 4‐HB‐CoA bound in the active site of the E73A thioesterase. In addition, we have characterized complexes of the wild‐type enzyme complexed with the unreactive substrate analog 4‐hydroxyphenacyl‐CoA (4‐HP‐CoA). Both sets of complexes show evidence for two forms of the ligand in the active site: one population has the 4‐hydroxy group protonated, 4‐OH; while the second has the group as the hydroxide, 4‐O−. For bound 4‐HP‐CoA, X‐ray data show that glutamate 78 is close to the 4‐OH in the complex and it is likely that this is the proton acceptor for the 4‐OH proton. Although the pKa of the 4‐OH group on the free substrate in aqueous solution is 8.6, the relative populations of ionized and neutral 4‐HB‐CoA bound to E73A remain invariant between pH 7.3 and 9.8. The invariance with pH suggests that the 4‐OH and the ‐COO− of E78 constitute a tightly coupled pair where their separate pKa ‘s lose their individual qualities. Narrow band profiles are seen in the CO double bond and C‐S regions, suggesting that the hydrolyzable thioester group is rigidly bound in the active site in a syn gauche conformation. Copyright © 2011 John Wiley & Sons, Ltd.
Exploring the origin of tip‐enhanced Raman scattering; preparation of efficient TERS probes with high yield
Authors: Asghari‐Khiavi Mehdi , Wood Bayden R. , Hojati‐Talemi Pejman , Downes Andrew , McNaughton Don , Mechler Adam
Published: August 2011

Tip‐enhanced Raman scattering (TERS) spectroscopy is a promising technique for nanoscale chemical analysis. However, there are several challenges preventing widespread application of this technology, including reproducible fabrication of efficient TERS probes. These problems reflect a lack of clear understanding of the origins of, and the parameters influencing TERS. It is believed that the coating characteristics at the apex of the tip have a major effect on the near‐field optical enhancement and thus the TERS activity of a metalized probe. Here we show that the aspect ratio of the tip can play a significant role in the efficiency of TERS probes. We argue that the electrostatic field arising from the lightning‐rod effect has a substantial role in the observed TERS effect. This argument is supported by ‘edge‐enhanced Raman scattering’ which is shown for a noble metal film. Furthermore, it is reported that an associated tip‐surface‐enhanced Raman scattering effect can be achieved by using a TERS‐inactive metalized probe on a surface‐enhanced Raman spectroscopy‐inactive roughened surface. This observation can be explained by an interparticle enhancement of the electromagnetic field. Copyright © 2011 John Wiley & Sons, Ltd.
Development of oxidative sample preparation for the analysis of forensic soil samples with near‐IR Raman spectroscopy
Authors: Edwards Howell , Munshi Tasnim , Scowen Ian , Surtees Alexander , Swindles Graeme T.
Published: August 2011

Forensic soil samples have been traditionally analysed via examinations of colour, texture and mineral content by physical or chemical methods. These methods leave any organic or water‐soluble fractions unexamined. A range of analytical techniques have been applied in this area and these procedures have been reviewed recently. This study uses Raman Spectroscopy to assess both the mineralogical and the water‐soluble organic fractions in soil samples. Soil samples were collected from both urban and rural environments comprising the city of Bradford, England, and an arable farming district in Lincolnshire. This study demonstrates how, with the use of oxidative preparation methods, Raman spectroscopy can be used to successfully discriminate between soil types using mineralogy as well as the organic and water‐soluble fractions of soils. Copyright © 2011 John Wiley & Sons, Ltd.
Predicting pediatric posttraumatic stress disorder after road traffic accidents: The role of parental psychopathology
Authors: Kolaitis Gerasimos , Giannakopoulos George , Liakopoulou Magda , Pervanidou Panagiota , Charitaki Stella , Mihas Constantinos , Ferentinos Spyros , Papassotiriou Ioannis , Chrousos George P. , Tsiantis John
Published: August 2011

This study examined prospectively the role of parental psychopathology among other predictors in the development and persistence of posttraumatic stress disorder (PTSD) in 57 hospitalized youths aged 7–18 years immediately after a road traffic accident and 1 and 6 months later. Self report questionnaires and semistructured diagnostic interviews were used in all 3 assessments. Neuroendocrine evaluation was performed at the initial assessment. Maternal PTSD symptomatology predicted the development of children's PTSD 1 month after the event, OR = 6.99, 95% CI [1.049, 45.725]; the persistence of PTSD 6 months later was predicted by the child's increased evening salivary cortisol concentrations within 24 hours of the accident, OR = 1.006, 95% CI [1.001, 1.011]. Evaluation of both biological and psychosocial predictors that increase the risk for later development and maintenance of PTSD is important for appropriate early prevention and treatment.
Breast milk contains relevant neurotrophic factors and cytokines for enteric nervous system development
Authors: Fichter Michael , Klotz Markus , Hirschberg David L. , Waldura Bärbel , Schofer Otto , Ehnert Sabrina , Schwarz Lukas K. , Ginneken Chris Van , Schäfer Karl‐Herbert
Published: August 2011

Breast‐feeding plays an important role for the development of the newborn. Non‐breast fed premature born infants show a significantly higher risk of developing diseases like infantile diarrhoea and necrotizing enterocolitis. In this study, the content of neurotrophic factors and cytokines, which might influence the postnatal development of the enteric nervous system (ENS), was determined in human breast milk. Glial cell‐line‐derived neurotrophic factor (GDNF), ciliary neurotrophic factor (CNTF) as well as a panel of cytokines were analyzed using single factor or multiplex ELISA. In order to link their presence in milk with possible effects on the development of the ENS, rat myenteric neurons were cultured in protein extracts from breast milk. Neurite outgrowth, neuron survival and nestin expression in glial cells were measured. Growth factors and cytokines were found in all breast milk samples at varying concentrations. It could be demonstrated that protein extracts of breast milk increased the amount of surviving enteric neurones as well as neurite outgrowth. Additionally it was shown, that the number of nestin and S100‐expressing glial cells increased significantly after incubating in breast milk protein extracts. The data suggest that milk‐born proteins support the development of the enteric nervous system.
Oxyneurography: A new technique for the measurement of nerve oxygenation
Authors: Jabre Joe F. , Squintani Giovanna M. , Chui Kenneth K.H.
Published: August 2011

Introduction:

Near‐infrared spectroscopy (NIRS) is a non‐invasive technique used to measure tissue oxygenation. In this study we describe oxyneurography (ONG), a novel application of the NIRS technique in non‐invasive surface measurement of oxygenation in ulnar nerve.

Methods:

NIRS sensors were applied directly over the ulnar epicondylar groove to measure the ulnar nerve ONG index, a ratio of oxygenated over total hemoglobin content. Ulnar motor conduction studies were obtained in all subjects.

Results:

The ONG index and ulnar motor conduction had a positive linear association. Ulnar motor conduction could be linearly predicted by the ONG index. The ONG index showed a sensitivity of 1.0 and a specificity of 0.852 for the presence of an ulnar neuropathy symptom. During limb ischemia, the ONG index gradually decreased.

Conclusions:

Oxyneurography can lead to the early detection of a compromise in a nerve's oxygenation status leading to neuropathy. Muscle Nerve 45:75–80, 2012
Thomsen or Becker myotonia? A novel autosomal recessive nonsense mutation in the CLCN1 gene associated with a mild phenotype
Authors: Gurgel‐Giannetti Juliana , Senkevics Adriano S. , Zilbersztajn‐Gotlieb Dinorah , Yamamoto Lydia U. , Muniz Viviane P. , Pavanello Rita C.M. , Oliveira Acary B. , ZATZ Mayana , Vainzof Mariz
Published: August 2011

We describe a large Brazilian consanguineous kindred with 3 clinically affected patients with a Thomsen myotonia phenotype. They carry a novel homozygous nonsense mutation in the CLCN1 gene (K248X). None of the 6 heterozygote carriers show any sign of myotonia on clinical evaluation or electromyography. These findings confirm the autosomal recessive inheritance of the novel mutation in this family, as well as the occurrence of phenotypic variability in the autosomal recessive forms of myotonia. Muscle Nerve, 2012
Proximity and remoteness in graphs: Results and conjectures
Authors: Aouchiche Mustapha , Hansen Pierre
Published: August 2011

The proximity π = π(G) of a connected graph G is the minimum, over all vertices, of the average distance from a vertex to all others. Similarly, the maximum is called the “remoteness” and denoted by ρ = ρ(G). In this article we first prove upper and lower bounds on π and ρ as a function of the order n of G. A comparison between these two invariants follows and then each one is compared to the diameter, radius, average eccentricity, average distance, independence number and matching number. Most bounds so obtained are proved, but a few of them remain conjectures. © 2011 Wiley Periodicals, Inc. NETWORKS, 2011
Minimax regret path location on trees
Authors: Puerto Justo , Ricca Federica , Scozzari Andrea
Published: August 2011

This work studies the problem of finding optimal paths with respect to the center, median and centdian objective functions, on networks with uncertain vertex weights that are given as intervals. Our approach looks for minimax regret paths which minimize the worst‐case opportunity loss in the corresponding objective function. These problems are NP‐hard on general graphs, therefore we study them on trees. We show that a discrete optimal path always exists for each of them, and provide polynomial time solution algorithms. © 2011 Wiley Periodicals, Inc. NETWORKS, 2011
Record linkage for pharmacoepidemiological studies in cancer patients
Authors: van Herk‐Sukel Myrthe P. P. , Lemmens Valery E. P. P. , van de Poll‐Franse Lonneke V. , Herings Ron M. C. , Coebergh Jan Willem W.
Published: August 2011

Background

An increasing need has developed for the post‐approval surveillance of (new) anti‐cancer drugs by means of pharmacoepidemiology and outcomes research in the area of oncology.

Objectives

To create an overview that makes researchers aware of the available database linkages in Northern America and Europe which facilitate pharmacoepidemiology and outcomes research in cancer patients.

Methods

In addition to our own database, i.e. the Eindhoven Cancer Registry (ECR) linked to the PHARMO Record Linkage System, we considered database linkages between a population‐based cancer registry and an administrative healthcare database that at least contains information on drug use and offers a longitudinal perspective on healthcare utilization. Eligible database linkages were limited to those that had been used in multiple published articles in English language included in Pubmed. The HMO Cancer Research Network (CRN) in the US was excluded from this review, as an overview of the linked databases participating in the CRN is already provided elsewhere. Researchers who had worked with the data resources included in our review were contacted for additional information and verification of the data presented in the overview.

Results

The following database linkages were included: the Surveillance, Epidemiology, and End–Results–Medicare; cancer registry data linked to Medicaid; Canadian cancer registries linked to population‐based drug databases; the Scottish cancer registry linked to the Tayside drug dispensing data; linked databases in the Nordic Countries of Europe: Norway, Sweden, Finland and Denmark; and the ECR‐PHARMO linkage in the Netherlands. Descriptives of the included database linkages comprise population size, generalizability of the population, year of first data availability, contents of the cancer registry, contents of the administrative healthcare database, the possibility to select a cancer‐free control cohort, and linkage to other healthcare databases.

Conclusions

The linked databases offer a longitudinal perspective, allowing for observations of health care utilization before, during, and after cancer diagnosis. They create new powerful data resources for the monitoring of post‐approval drug utilization, as well as a framework to explore the (cost‐)effectiveness of new, often expensive, anti‐cancer drugs as used in everyday practice. Copyright © 2011 John Wiley & Sons, Ltd.
Reliability of the reported ingested dose of acetaminophen for predicting the risk of toxicity in acetaminophen overdose patients
Authors: Zyoud Sa'ed H. , Awang Rahmat , Sulaiman Syed Azhar Syed
Published: August 2011

Purpose

The present study examines the relationship between the dose of acetaminophen reported to have been ingested by patients and the occurrence of serum acetaminophen levels above the ‘possible toxicity’ line in patients presenting at the hospital after acetaminophen overdose. The prognostic value of patient‐reported dosage cut‐offs of 8, 10 and 12 g was determined.

Methods

This retrospective cohort study included patients admitted to the emergency department or hospital within 24 hours of acetaminophen ingestion. Serum acetaminophen concentrations were considered to be the gold standard, and specificity, sensitivity and positive/negative predictive values were calculated from the reported ingested dose, to predict toxicity using the Rumack–Matthew nomogram (i.e. the ‘possible toxicity’ treatment line) and standard equations.

Results

Of 305 patients identified, 291 met the study inclusion criteria, and 121 (41.6%) had serum acetaminophen concentrations above the ‘possible toxicity’ treatment line. The range of patient‐reported acetaminophen ingested was 1–75 g, with 185 patients (63.6%) reporting ≥8 g. One hundred eighteen patients (97.5%) who reported ingesting ≥8 g had serum acetaminophen concentrations above the ‘150‐line’, compared with only three patients (2.5%) who reported ingesting <8 g (p < 0.001). The positive predictive value of a patient‐reported dose ≥8 g for predicting serum acetaminophen concentrations above the ‘possible toxicity’ treatment line was 63.78%, with a negative predictive value of 97.17%. The sensitivity of patient‐reported doses ≥8 g was high (97.52%) but with low specificity (60.59%). The sensitivity of patient‐reported doses ≥10 g also was high (89.26%) with low specificity (65.29%), whereas the sensitivity of ≥12 g dose was low (61.16%) with high specificity (86.47%).

Conclusions

Patient‐reported doses of acetaminophen are good risk indicators for acetaminophen overdose patients in Malaysia. Patient‐reported ingestion of ≥8 g (as a cut‐off dose) had a higher sensitivity than ≥10 g or ≥12 g. The results of this study have important implications for toxicity risk evaluations in areas with poor serum acetaminophen assay availability. Copyright © 2011 John Wiley & Sons, Ltd.
Speed improvements of peptide–spectrum matching using Single‐Instruction Multiple‐Data instructions
Authors: Zhang Jian , McQuillan Ian , Wu Fang‐Xiang
Published: August 2011

Peptide–spectrum matching is one of the most time‐consuming portion of the database search method for assignment of tandem mass spectra to peptides. In this study, we develop a parallel algorithm for peptide–spectrum matching using Single‐Instruction Multiple Data (SIMD) instructions. Unlike other parallel algorithms in peptide–spectrum matching, our algorithm parallelizes the computation of matches between a single spectrum and a given peptide sequence from the database. It also significantly reduces the number of comparison operations. Extra improvements are obtained by using SIMD instructions to avoid conditional branches and unnecessary memory access within the algorithm. The implementation of the developed algorithm is based on the Streaming SIMD Extensions technology that is embedded in most Intel microprocessors. Similar technology also exists in other modern microprocessors. A simulation shows that the developed algorithm achieves an 18‐fold speedup over the previous version of Real‐Time Peptide–Spectrum Matching algorithm [F. X. Wu et al., Rapid Commun. Mass Sepctrom. 2006, 20, 1199–1208]. Therefore, the developed algorithm can be employed to develop real‐time control methods for MS/MS.
Holomorphic couplings in non‐perturbative string compactifications
Authors: Klevers D.
Published: August 2011

In this review article we present an analysis of several aspects of four‐dimensional, non‐perturbative 𝒩 = 1 compactifications of string theory. Our study focuses on brane dynamics and their effective physics as encoded in the holomorphic couplings of the low‐energy 𝒩 = 1 effective action, most prominently the superpotential W. This article is divided into three parts. In part one we derive the effective action of a spacetime‐filling D5‐brane in generic Type IIB Calabi‐Yau orientifold compactifications. In the second part we invoke tools from string dualities, namely from F‐theory, heterotic/F‐theory duality and mirror symmetry, for a more elaborate study of the dynamics of (p,q) 7‐branes and heterotic five‐branes. In this context we perform exact computations of the complete perturbative effective superpotential, both due to branes and background fluxes. Finally, in the third part we present a novel geometric description of five‐branes in Type IIB and heterotic M‐theory Calabi‐Yau compactifications via a non‐Calabi‐Yau threefold $\hat {Z}_3$, that is canonically constructed from the original five‐brane and the Calabi‐Yau threefold Z3 via a blow‐up. We use the blow‐up threefold $\hat {Z}_3$ to derive open‐closed Picard‐Fuchs differential equations, that govern the complete effective brane and flux superpotential. In addition, we present first evidence to interpret $\hat {Z}_3$ as a flux compactification geometrically dual to the original five‐brane by defining an SU(3)‐structure on $\hat {Z}_3$, that is generated dynamically by the five‐brane backreaction.
Docking and free energy simulations to predict conformational domains involved in hCG–LH receptor interactions using recombinant antibodies
Authors: Majumdar Ritankar , Railkar Reema , Dighe Rajan R.
Published: August 2011

Single chain fragment variables (ScFvs) have been extensively employed in studying the protein–protein interactions. ScFvs derived from phage display libraries have an additional advantage of being generated against a native antigen, circumventing loss of information on conformational epitopes. In the present study, an attempt has been made to elucidate human chorionic gonadotropin (hCG)–luteinizing hormone (LH) receptor interactions by using a neutral and two inhibitory ScFvs against hCG. The objective was to dock a computationally derived model of these ScFvs onto the crystal structure of hCG and understand the differential roles of the mapped epitopes in hCG–LH receptor interactions. An anti‐hCG ScFv, whose epitope was mapped previously using biochemical tools, served as the positive control for assessing the quality of docking analysis. To evaluate the role of specific side chains at the hCG–ScFv interface, binding free energy as well as residue interaction energies of complexes in solution were calculated using molecular mechanics Poisson–Boltzmann/surface area method after performing the molecular dynamic simulations on the selected hCG–ScFv models and validated using biochemical and SPR analysis. The robustness of these calculations was demonstrated by comparing the theoretically determined binding energies with the experimentally obtained kinetic parameters for hCG–ScFv complexes. Superimposition of hCG–ScFv model onto a model of hCG complexed with the 51–266 residues of LH receptor revealed importance of the residues previously thought to be unimportant for hormone binding and response. This analysis provides an alternate tool for understanding the structure–function analysis of ligand–receptor interactions. Proteins 2011; © 2011 Wiley‐Liss, Inc.
Role of different β‐turns in β‐hairpin conformation and stability studied by optical spectroscopy
Authors: Wu Ling , McElheny Dan , Setnicka Vladimír , Hilario Jovencio , Keiderling Timothy A.
Published: August 2011

Model β‐hairpin peptides based on variations in the turn sequence of Cochran's tryptophan zipper peptide, SWTWENGKWTWK, were studied using electronic circular dichroism (ECD), fluorescence, and infrared (IR) spectroscopies. The trpzip2 Asn–Gly turn sequence was substituted with Thr–Gly, Aib–Gly, DPro–Gly, and Gly–Asn (trpzip1) to study the impact of turn stability on β‐hairpin formation. Stability and conformational changes of these hairpins were monitored by thermodynamic analyses of the temperature variation of both FTIR (amide I′) and ECD spectral intensities. These changes were fit to a two‐state model which yielded different Tm values, representing the folding/unfolding process, for hairpins with different β‐turns. Different β‐turns show systematic contributions to hairpin structure formation, and their inclusion in hairpin design can modify the folding pathways. Aib–Gly or DPro–Gly sequences stabilize the turn resulting in residual Trp–Trp interaction at high temperatures, but at the same time the β‐structure (cross strand H‐bonds) can become less stable due to constraints of the turn, as seen for DPro–Gly. The structure of the Aib–Gly turn containing hairpin was determined by NMR and was shown to be like trpzip2 (Asn–Gly turn) as regards turn and strand geometries, but to differ from trpzip1 (Gly–Asn turn). The Munoz and Eaton statistical mechanically derived multistate model, tested as an alternate point of view, represented contributions from H‐bonds and hydrophobic interactions as well as conformational change as interdependent. Use of different spectral methods that vary in dependence on these physical interactions along with the structural variations provided insight to the complex folding pathways of these small, well‐folded peptides. Proteins 2012. © 2011 Wiley Periodicals, Inc.
Structure‐based, biophysical annotation of molecular coevolution of acetylcholinesterase
Authors: Weißgraeber Stephanie , Hoffgaard Franziska , Hamacher Kay
Published: August 2011

Acetylcholinesterase (AChE) is an important enzyme in the nervous system. It terminates signal transmission at chemical synapses by degrading the neurotransmitter acetylcholine and was found to play a role in plaque formation in Alzheimer's disease. Several functional parts of its structure have been identified in the past. Here, we use a coarse‐grained anisotropic network model approach based on structure data to analyze protein mechanics of AChE. Single contacts in the protein are “switched off” and the change in the intrinsic dynamics is measured. We correlate the gained insight with information about coevolution within the molecule derived from multiple sequence alignments. More than 300 AChE sequences were aligned and the mutual information of the positions was calculated. From these structural, biophysical, and evolutionary data we could reveal sites of coevolutionary signatures in AChE, annotate them by the selective pressure induced for biophysical reasons, and further pave the way for a more detailed understanding of evolutionary boundary conditions for AChE. Proteins 2011; © 2011 Wiley‐Liss, Inc.
Analysis of electrostatic interactions in the denatured state ensemble of the N‐terminal domain of L9 under native conditions
Authors: Meng Wenli , Raleigh Daniel P.
Published: August 2011

The pH dependence of protein stability is defined by the difference in the number of protons bound to the folded state and to the denatured state ensemble (DSE) as a function of pH. In many cases, the protonation behavior can be described as the sum of a set of independently titrating residues; in this case, the pH dependence of stability reflects differences in folded and DSE pKa's. pH dependent stability studies have shown that there are energetically important interactions involving charged residues in the DSE of the N‐terminal domain of L9 (NTL9), which affect significantly the stability of the protein. The DSE of wild type NTL9 cannot be directly characterized under native conditions because of its high stability. A destabilized double mutant of NTL9, V3AI4A, significantly populates the folded state and the DSE in the absence of denaturant. The two states are in slow exchange on the nuclear magnetic resonance time scale, and diffusion measurements indicate that the DSE is compact. The DSE pKa's of all of the acidic residues were directly determined. The DSE pKa of Asp8 and Asp23 are depressed relative to model compounds values. Use of the mutant DSE pKa's together with known native state pKa's leads to a significantly improved agreement between the measured pH dependent stability and that predicted by the Tanford‐Wyman linkage relationship. An analysis of the literature suggests that DSE interactions involving charged residues are relatively common and should be considered in discussions of protein stability. Proteins 2011; © 2011 Wiley‐Liss, Inc.
New risk acceptance criteria for process safety
Authors: Moseman James
Published: August 2011

A new risk acceptable criteria (RAC) is derived and compared to those previously reported. The derived RAC is based on previously published industrial and social mortality rates. The derived RAC in this article include acceptable risks (1 × 10−7), where no actions are recommended, compared to unacceptable or marginally acceptable levels (1 × 10−5), where mitigation actions are recommended. Justifications for these results are included. © 2011 American Institute of Chemical Engineers Process Saf Prog, 2012
Basis of safety: A concise communication method for critical process safety information
Authors: Wincek John C.
Published: August 2011

Process safety information (PSI) typically describes the process equipment, process chemicals, and how the process is intended to be operated. Lack of operator familiarity with this information can lead to process upsets, resulting in release of hazardous materials. The most critical of the PSI is that which pertains to the prevention of catastrophic incidents. By prioritizing PSI, emphasis can be placed on critical PSI during training, development of reference documents and assessment of operator competency. A Basis of Safety (BoS) document is described as a method to facilitate communication, learning and referencing of critical PSI by and for operators, engineers and managers. This BoS document for a process lists the worst‐case incident consequences, the safety objectives that must be achieved, the control measures that implement these safety objectives, and the safe operating envelope for the process. By limiting the BoS contents to only that which pertains to catastrophic incident prevention, the highest emphasis on learning can be placed where it is most critical. © 2011 American Institute of Chemical Engineers Process Saf Prog, 2011
Improving transmission calculations for the Edwards–Slingo radiation scheme using a correlated‐k distribution method
Authors: Sun Zhian
Published: August 2011

A new version of the Edwards–Slingo (ES) radiation scheme is developed using the correlated‐k distribution (CKD) method. The work is conducted based on the line‐by‐line radiative transfer scheme GENLN2. A dataset of new ozone absorption cross‐section in the ultraviolet spectrum and new oxygen collision‐induced continuum data have been implemented in both the GENLN2 and new ES schemes. In order to improve the efficiency of the ES scheme, a new technique is proposed in this work to optimize the k distribution and a new method is used to deal with the gaseous overlapping absorption in a spectral band. The accuracy of the scheme is improved by replacing the scaling function used in the ES scheme with a pre‐determined look‐up table for consideration of the pressure and temperature dependency of the absorption oefficients. The number of spectral bands and number of absorbing species are both increased in the new scheme for better resolution of the spectral variation of absorbing species, aerosols and clouds. However, this does not increase the computational cost. Instead, it is reduced substantially compared with the previous version of the code. The treatment of transmission in the short‐wave spectrum is improved by implementing the absorbing species of CH4, N2O and O2 collision‐induced continuum absorption which are not included in the ES scheme. New O3 absorption cross‐section data in the ultraviolet spectrum measured by the European Space Agency are used to generate the CKD spectral data in the short‐wave spectral bands. These data have a temperature dependency and better spectral resolution. The irradiance and heating rate determined by the new scheme are tested against the same variables determined by GENLN2. It has been shown that the new scheme produces results more accurate than the ES scheme. Copyright © 2011 Royal Meteorological Society
A new small‐gain theorem with an application to the stabilization of the chemostat
Authors: Karafyllis Iasson , Jiang Zhong‐Ping
Published: August 2011

New small‐gain results are obtained for nonlinear feedback systems under relaxed assumptions. Specifically, during a transient period, the solutions of the feedback system may not satisfy some key inequalities that previous small‐gain results usually utilize to prove stability properties. The results allow the application of the small‐gain perspective to various systems that satisfy less‐demanding stability notions than the input‐to‐output stability property. The robust global feedback stabilization problem of an uncertain time‐delayed chemostat model is solved by means of the new small‐gain results. Copyright © 2011 John Wiley & Sons, Ltd.
One‐Pot Synthesis of Near‐Infrared Fluorescent Gold Clusters for Cellular Fluorescence Lifetime Imaging
Authors: Shang Li , Azadfar Naghmeh , Stockmar Florian , Send Winfried , Trouillet Vanessa , Bruns Michael , Gerthsen Dagmar , Nienhaus G. Ulrich
Published: August 2011

A facile strategy to synthesize water‐soluble fluorescent gold nanoclusters (Au NCs) stabilized with the bidentate ligand dihydrolipoic acid (DHLA) is reported. The DHLA‐capped Au NCs are characterized by UV–vis absorption spectroscopy, fluorescence spectroscopy, transmission electron microscopy, and X‐ray photoelectron spectroscopy. The Au NCs possess many attractive features including ultrasmall size, bright near‐infrared luminescence, high colloidal stability, and good biocompatibility, making them promising imaging agents for biomedical and cellular imaging applications. Moreover, their long fluorescence lifetime (>100 ns) makes them attractive as labels in fluorescence lifetime imaging (FLIM) applications. As an example, the internalization of Au NCs by live HeLa cells is visualized using the FLIM technique.
Layer‐by‐Layer Assembly of Chitosan and Recombinant Biopolymers into Biomimetic Coatings with Multiple Stimuli‐Responsive Properties
Authors: Costa Rui R. , Custódio Catarina A. , Arias Francisco J. , Rodríguez‐Cabello José C. , Mano João F.
Published: August 2011

In this work, biomimetic smart thin coatings using chitosan and a recombinant elastin‐like recombinamer (ELR) containing the cell attachment sequence arginine–glycine–(aspartic acid) (RGD) are fabricated through a layer‐by‐layer approach. The synthetic polymer is characterized for its molecular mass and composition using mass spectroscopy and peptide sequencing. The adsorption of each polymeric layer is followed in situ at room temperature and pH 5.5 using a quartz‐crystal microbalance with dissipation monitoring, showing that both polymers can be successfully combined to conceive nanostructured, multilayered coatings. The smart properties of the coatings are tested for their wettability by contact angle (CA) measurements as a function of external stimuli, namely temperature, pH, and ionic strength. Wettability transitions are observed from a moderate hydrophobic surface (CAs approximately from 62° to 71°) to an extremely wettable one (CA considered as 0°) as the temperature, pH, and ionic strength are raised above 50 °C, 11, and 1.25 M, respectively. Atomic force microscopy is performed at pH 7.4 and pH 11 to assess the coating topography. In the latter, the results reveal the formation of large and compact structures upon the aggregation of ELRs at the surface, which increase water affinity. Cell adhesion tests are conducted using a SaOs‐2 cell line. Enhanced cell adhesion is observed in the coatings, as compared to a coating with a chitosan‐ending film and a scrambled arginine–(aspartic acid)–glycine (RDG) biopolymer. The results suggest that such films could be used in the future as smart biomimetic coatings of biomaterials for different biomedical applications, including those in tissue engineering or in controlled delivery systems.
Air‐Water Mist and Homogeneity Degree of Spray Cooling Zones for Improving Quality in Continuous Casting of Steel
Authors: El‐Bealy Mostafa O.
Published: August 2011

A theoretical investigation used previous experimental works for validation of model predications and for studying the effect of different nozzle designs on the quality of continuously cast steel slabs has been undertaken. This is by optimizing the homogeneity degree of cooling pattern “HDCP” between a pair of rolls. The idea behind this technique is to maximize the solid shell resistance against thermo‐metallurgical and mechanical stresses and therefore minimizes the defects generated in different cooling zones. A 2‐D mathematical model of thermal, solidification, solid shell resistance and cooling conditions has been developed. The model determines the temperature distributions, the different phases associated with the solidification and three phase peritectic reaction L + δ → γ of Fe−0.12%C steel alloy as well as isotherms. The effect of different cooling patterns for various spray cooling systems on the homogeneity degree and solid shell resistance are examined. In additional to traditional water and air‐water (AWM) nozzles, a new design of air‐water mist nozzle has been proposed to improve the homogeneity degree of spray cooling system. The results indicate generally that the increasing in the homogeneity degree of cooling conditions is proportional to the increasing in the solid shell resistance and therefore to the improving of slab quality. Model predications of different effects of different nozzle designs on the surface and inner quality levels are compared and discussed in the mold and secondary spray cooling zones.
Microstructural Aspects and Wear Behavior of Sinter Hardened Distaloy HP
Authors: Sheikhi Moghaddam K. , Ghambari M. , Farhangi H. , Solimanjad N. , Bergmark A. , Khorsand H.
Published: August 2011

Effect of cooling rate during sinter hardening on the microstructure and wear behavior of sintered steel grade Distaloy HP has been studied. Wear performances are closely related to macro and micro hardness of the materials. Dry sliding wear tests have been conducted using a reciprocating pin on flat wear testing machine under normal loads of 25, 35 and 45N and at a constant speed of 0.3 m/s. The samples were sinter hardened at different cooling rates 0.5–3 °C/s in order to investigate the influence of microstructure and hardness on wear behavior. It has been shown that, sintering process and cooling rate change the microstructure and hence the hardness and wear behavior of the material. The best wear resistance was detected at a cooling rate of 3 °C/s. At this cooling rate the material had an almost martensitic microstructure and the wear rate was some how independent of the applied load.
Li7PS6 and Li6PS5X (X: Cl, Br, I): Possible Three‐dimensional Diffusion Pathways for Lithium Ions and Temperature Dependence of the Ionic Conductivity by Impedance Measurements
Authors: Deiseroth Hans‐Jörg , Maier Joachim , Weichert Katja , Nickel Vera , Kong Shiao‐Tong , Reiner Christof
Published: August 2011

Possible three‐dimensional diffusion pathways of lithium ions in crystalline lithium argyrodites are discussed based on earlier studies of local dynamics and site preferences. The specific Li‐ionic conductivities of the lithium argyrodites Li7PS6 and Li6PS5X (X: Cl, Br, I) and their temperature dependences are measured by impedance spectroscopy using different electron‐blocking and ion‐blocking electrode systems. Measurements were carried out between 160 K and 550 K depending on the respective sample. Bulk and grain boundary contributions and the influence of sample preparation are discussed. Typical values for the ionic conductivities at room temperature are in the range 10–7 to 10–5 S· cm–1 and at 500 K between 10–6 and 10–3 S· cm–1. Thermal activation energies are in the range 0.16 to 0.56 eV. The electronic conductivity at room temperature was measured by polarization measurements for the samples Li6PS5X (X: Cl, Br) and was shown to be in the order of magnitude of 10–8 S· cm–1. Chemical diffusion coefficients of lithium were calculated based on the polarization measurements. For Li6PS5Br a high value of 3.5 × 10–6 cm2·s–1 was found.
Increasing breeding behaviors in a captive colony of Northern Bald Ibis through conspecific acoustic enrichment
Authors: Clark J. Alan , Haseley Alison , Van Genderen Garry , Hofling Mark , Clum Nancy J.
Published: August 2011

The goal of this study was to increase reproductive behaviors in a captive colony of Northern Bald Ibis (Geronticus eremita) at the Bronx Zoo. The Northern Bald Ibis is classified as critically endangered by the IUCN, with only about 100 known breeding pairs in the wild. Our analysis of zoo breeding and colony size data confirmed earlier observations that small captive colonies of this species do not breed as well as larger colonies, possibly because of insufficient social cues. Using principles from social facilitation theory, we attempted to provide such social cues by presenting acoustic enrichment in the form of conspecific breeding vocalization playbacks. In May 2009, we tracked multiple breeding behaviors during playbacks and control periods. Although breeding behaviors increased in response to playbacks, the colony produced no eggs. We repeated this experiment in April 2010 using playbacks of higher quality recordings acquired from a semi‐wild breeding colony of Northern Bald Ibis in Austria. Breeding behaviors again increased during playbacks. In addition, five pairs in this colony of 15 birds produced 13 eggs, and six chicks successfully fledged—the first reproductive success in this colony since 2007. The acoustic enrichment techniques we employed may encourage increased breeding activity in captive populations of colonial species as well as wild colonies with small populations. Zoo Biol 31:71;–81, 2012. © 2011 Wiley Periodicals, Inc.
Effect of Ascorbic Acid or Acyl Ascorbate on the Stability of Catechin in Oil‐In‐Water Emulsion
Authors: Watanabe Yoshiyuki , Suzuki Takahiro , Nakanishi Hirofumi , Sakuragochi Ayumi , Adachi Shuji
Published: August 2011

The degradation of (+)‐catechin in an oil‐in‐water emulsion using methyl dodecanate as an oil phase with or without ascorbic acid or acyl ascorbate was kinetically examined at 40 °C. The rate constant, k, of the first‐order kinetics for the degradation with ascorbic acid or octanoyl ascorbate depended on the added amount, whereas the k value with hexadecanoyl ascorbate was independent of the amount. The k value for a smaller oil droplet with each ascorbate was lower than that for a larger oil droplet. Catechin did not partition well into the methyl dodecanate phase, but did adsorb slightly onto the interface between the methyl dodecanate and water. The suppressive effect of acyl ascorbate on the catechin degradation in the emulsion was lower than that of hydrophilic ascorbic acid at the low concentration, but the peroxidative ability also was lower. Most of the catechin molecules in the emulsion degraded in the water phase. The catechin degradation in the emulsion with small oil droplets depended on the acyl chain length of the ascorbates more than in large oil droplets.
Mitochondrial biology in reproduction
Authors: Cannon Matthew V. , Takeda Kumiko , Pinkert Carl A.
Published: August 2011

Mitochondrial biology plays an important role in the reproductive process, with influence on germ cell development and quality as well as embryonic development and reproductive success. This review outlines the role of mitochondrial genetics and function in reproductive biology, including a discussion of general mitochondrial function, genetics and germline transmission. Also highlighted are the mitochondrial morphologic changes that occur during oogenesis and the role these changes play in the mitochondrial bottleneck that influences the distribution of deleterious mitochondrial genomes to offspring. The review covers the influence of mitochondria in embryonic stem cell and induced pluripotent stem cell biology and development. Lastly, the role of mitochondrial biology in assisted reproductive techniques is discussed.
An immunohistochemical study of metroplastic surgical specimens from patients with a septate uterus
Authors: Makino Tsunehisa , Cai Li‐yi , Izumi Shun‐ichiro , Yasuda Masanori
Published: August 2011

Purpose

To elucidate the etiology of recurrent pregnancy loss in patients with congenital uterine anomalies, an immunohistochemical technique was used to quantitatively evaluate the vascular arrangement of septate uteri with respect to vascular density and morphology.

Methods

Nine specimens obtained from patients who had undergone metroplastic surgery for the treatment of a septate uterus and 10 control specimens from patients who had undergone a hysterectomy because of cervical carcinoma were used in this study. Formalin‐fixed paraffin‐embedded uterine specimens were then immunostained for CD34, which is specifically expressed in vascular endothelial cells.

Results

The mean blood vessel count (mean ± SD) for the myometrium was 149.7 ± 22.7/field in the septate uteri and 162.2 ± 36.4/field in the control uteri; these values were not significantly different. However, the total vessel cross‐sectional areas, as evaluated quantitatively using the KS400 image analysis system, were 10350.4 ± 1024.3 μm2/field for the septate uteri and 12002.9 ± 2232.3 μm2/field for the control uteri; these values were significantly different (p < 0.05). The vessel morphology expressed by vessel irregularity and deformity showed a characteristic change in the septate uterus.

Conclusions

A significant difference in the distribution of the blood vessels existed between the septate and control uteri, presumably impairing blood flow in the myometrium and the adverse pregnancy outcome.
Application of Radio‐frequency Identification in Perioperative Care
Authors: Ku Hsueh‐Ling , Wang Pa‐Chun , Su Mu‐Chun , Liu Charles C.H. , Hwang Wu‐Yuin
Published: August 2011

Every perioperative department could benefit from having an information system that facilitates managerial function and improves efficiency in the OR. The Patient Advancement Monitoring System–Surgical implemented in a hospital in Taipei, Taiwan, is one such a system that uses radio‐frequency identification technology for tracking perioperative care of patients along workflow checkpoints. This web‐based medical information system can facilitate care provided throughout perioperative services by providing instant patient information to staff members in cross‐functional health care teams. Manpower is not wasted on duplicating data entry because the surgical progression is displayed in real time. Satisfaction with the system has been high for both nurses and administrators.