bluuebunny/crossref_metadata_2025 huggingface dataset:
Dispersive solid‐phase extraction followed by vortex‐assisted dispersive liquid–liquid microextraction based on the solidification of a floating organic droplet for the determination of benzoylurea insecticides in soil and sewage sludge
Authors: Peng Guilong , He Qiang , Mmereki Daniel , Lu Ying , Zhong Zhihui , Liu Hanyang , Pan Weiliang , Zhou Guangming , Chen Junhua
Published: February 2016

A novel dispersive solid‐phase extraction combined with vortex‐assisted dispersive liquid–liquid microextraction based on solidification of floating organic droplet was developed for the determination of eight benzoylurea insecticides in soil and sewage sludge samples before high‐performance liquid chromatography with ultraviolet detection. The analytes were first extracted from the soil and sludge samples into acetone under optimized pretreatment conditions. Clean‐up of the extract was conducted by dispersive solid‐phase extraction using activated carbon as the sorbent. The vortex‐assisted dispersive liquid–liquid microextraction based on solidification of floating organic droplet procedure was performed by using 1‐undecanol with lower density than water as the extraction solvent, and the acetone contained in the solution also acted as dispersive solvent. Under the optimum conditions, the linearity of the method was in the range 2–500 ng/g with correlation coefficients (r) of 0.9993–0.9999. The limits of detection were in the range of 0.08–0.56 ng/g. The relative standard deviations varied from 2.16 to 6.26% (n = 5). The enrichment factors ranged from 104 to 118. The extraction recoveries ranged from 81.05 to 97.82% for all of the analytes. The good performance has demonstrated that the proposed methodology has a strong potential for application in the multiresidue analysis of complex matrices.
Skin lipids in health and disease
Authors: Nicolaou A. , Harwood J. L.
Published: February 2016

Lipids are important for normal skin function. They are generated from two main sources – the epithelial cells and the sebum which is secreted onto the surface. Important functions of the lipids are to contribute to an effective barrier towards water loss, to protect from radiation and to prevent entry of harmful chemicals and microbes. There is also an increasing interest in the inflammatory characteristics of lipid signalling molecules which have important consequences for many common skin complaints. In many cases, these bioactive lipids can be regulated through dietary intervention or by topical and other therapies.
FlowCAM optimization: Attaining good quality images for higher taxonomic classification resolution of natural phytoplankton samples
Authors: Camoying Marianne G. , Yñiguez Aletta T.
Published: February 2016

Taxonomic data on phytoplankton composition is important for ecological studies, however, such information is not easy to gather. Imaging devices and image classification software have been developed in the past decades for rapid phytoplankton assessment. Taxonomic resolution output of classification software are primarily limited by the quality of images produced by these imaging instruments. FlowCAM has been utilized in several studies for this endeavor. However, the phytoplankton categories that the instrument is currently able to discriminate are still few compared to the outputs of microscopy. This study aimed to produce high resolution FlowCAM images of fixed phytoplankton samples from natural environments without compromising sample analysis time. It was also aimed to optimize the capability of FlowCAM's VisualSpreadsheet software to automatically classify phytoplankton images. The use of FOV300 flow cell and 10X objective combination has proven to be effective in producing good quality images at a faster rate. The modified hardware configuration resulted to FlowCAM counts that were comparable to that of the standard microscopy method. FlowCAM was able to automatically classify images of dominant phytoplankton groups in the two key sardine fishery areas in the Philippines with relatively high accuracy values. These phytoplankton groups are represented by genera with complex morphological structures (e.g., setae) such as Chaetoceros and Bacteriastrum as well as those genera with simple shapes such as Pseudo‐nitzschia (thin‐elongate) and Coscinodiscus (spherical).
The impact of broader regional sharing of livers: 2‐year results of “Share 35”
Authors: Edwards Erick B. , Harper Ann M. , Hirose Ryutaro , Mulligan David C.
Published: February 2016

In June of 2013, the Organ Procurement and Transplantation Network (OPTN) implemented regional sharing for Model for End‐Stage Liver Disease (MELD)/Pediatric End‐Stage Liver Disease (PELD) candidates with scores reaching 35 and above (“Share 35”). The goal of this distribution change was to increase access to lifesaving transplants for the sickest candidates with chronic liver disease and to reduce the waiting‐list mortality for this medically urgent group of patients. To assess the impact of this change, we compared results before and after policy implementation at 2 years. Overall, there were more liver transplants performed under Share 35 and a greater percentage of MELD/PELD 35+ candidates underwent transplantation; waiting‐list mortality rates in this group were also significantly lower in the post‐policy period. Overall adjusted waiting‐list mortality was decreased slightly, with no significant changes in mortality by age group or ethnicity. Posttransplant graft and patient survival was unchanged overall and was unchanged for the MELD/PELD 35+ recipients. In conclusion, these data demonstrate that the Share 35 policy achieved its goal of increasing access to transplants for these medically urgent patients without reducing access to liver transplants for pediatric and minority candidates. Although the variance in the median MELD at transplant as well as the variance in transport distance increased, there was a decrease in overall liver discard rates and no change in overall cold ischemia times following broader sharing of these organs. The OPTN will continue to monitor this policy, particularly for longer‐term posttransplant survival outcomes.Liver Transplantation 22 399‐409 2016AASLD
Synthesis and Preparation of Bio‐Based ROMP Thermosets from Functionalized Renewable Isosorbide Derivative
Authors: Wang Bingtao , Mireles Kathryn , Rock Mitch , Li Yuzhan , Thakur Vijay Kumar , Gao De , Kessler Michael R.
Published: February 2016

One novel monomer based on renewable isosorbide, isosorbide silicon norbornene (ISN), is synthesized and a series of bio‐based thermosets is prepared via ring‐opening metathesis polymerization (ROMP) of ISN in place of partial dicyclopentadiene (DCPD) in the presence of Grubbs' catalyst. 1H and 13C NMR spectroscopy and nonisothermal differential scanning calorimetry (DSC) have been implemented to confirm the chemical composition of ISN and examine the curing behaviors of ISN/DCPD comonomers, respectively. Compared to DCPD, ISN is found to exhibit higher reactivity that allows facile lower temperature ROMP making it an ideal candidate for bio‐based self‐healing applications. The effect of incorporation of ISN on the thermal and mechanical properties of cured poly(ISN/DCPD) thermosets is also evaluated by dynamic mechanical analysis, thermogravimetric analysis, thermal mechanical analysis, and universal tensile test. The poly(ISN/DCPD) thermosets display good thermal/mechanical properties due to the introduction of less rigid ISN moieties and higher cross‐linking density of the material.

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AllergenOnline: A peer‐reviewed, curated allergen database to assess novel food proteins for potential cross‐reactivity
Authors: Goodman Richard E. , Ebisawa Motohiro , Ferreira Fatima , Sampson Hugh A. , van Ree Ronald , Vieths Stefan , Baumert Joseph L. , Bohle Barbara , Lalithambika Sreedevi , Wise John , Taylor Steve L.
Published: February 2016

Scope

Increasingly regulators are demanding evaluation of potential allergenicity of foods prior to marketing. Primary risks are the transfer of allergens or potentially cross‐reactive proteins into new foods. AllergenOnline was developed in 2005 as a peer‐reviewed bioinformatics platform to evaluate risks of new dietary proteins in genetically modified organisms (GMO) and novel foods.

Methods and results

The process used to identify suspected allergens and evaluate the evidence of allergenicity was refined between 2010 and 2015. Candidate proteins are identified from the NCBI database using keyword searches, the WHO/IUIS nomenclature database and peer reviewed publications. Criteria to classify proteins as allergens are described. Characteristics of the protein, the source and human subjects, test methods and results are evaluated by our expert panel and archived. Food, inhalant, salivary, venom, and contact allergens are included. Users access allergen sequences through links to the NCBI database and relevant references are listed online. Version 16 includes 1956 sequences from 778 taxonomic‐protein groups that are accepted with evidence of allergic serum IgE‐binding and/or biological activity.

Conclusion

AllergenOnline provides a useful peer‐reviewed tool for identifying the primary potential risks of allergy for GMOs and novel foods based on criteria described by the Codex Alimentarius Commission (2003).
Bioavailability of tomato polyphenols is enhanced by processing and fat addition: Evidence from a randomized feeding trial
Authors: Martínez‐Huélamo Miriam , Vallverdú‐Queralt Anna , Di Lecce Giuseppe , Valderas‐Martínez Palmira , Tulipani Sara , Jáuregui Olga , Escribano‐Ferrer Elvira , Estruch Ramón , Illan Montse , Lamuela‐Raventós Rosa M.
Published: February 2016

Scope

Tomato contains a variety of phenolics associated with health‐promoting properties. However, the effects of processing and the addition of oil during tomato sauce preparation on microbial metabolism of phenolics in the small intestine are still unclear.

Methods and results

An open, controlled, randomized, and crossover feeding trial with 40 healthy volunteers was carried out to analyze the metabolites in plasma and urine after the consumption of tomato and tomato sauces, with tomato sauce enriched with refined olive oil (ROOE) and without refined olive oil (oil‐free: OF). Ten phenolics in plasma and 93 metabolites in urine were quantified. Processing tomatoes into sauce enhanced the bioavailability of flavanones, flavanols, and some hydroxycinnamic acids, as reflected by the increase in the area under the plasma concentration versus time curve. An increase in their plasma half‐life was also observed, particularly after ingestion of ROOE, possibly favored by enterohepatic circulation. A wide variety of gut microbial metabolites was also detected, namely flavanones, hydroxycinnamic acids, flavonols, hydroxyphenylpropanoic acids, hydroxyphenylacetic acids, and hydroxybenzoic acids.

Conclusions

Flavanones and flavonols in ROOE presented higher bioavailability, suggesting that the processing undergone by the raw tomato improved their absorption.
Roles and regulation of the matrix metalloproteinase system in parturition
Authors: Geng Junnan , Huang Cong , Jiang Siwen
Published: February 2016

Significant tissue destruction, repair, and remodeling are involved in parturition, which involves fetal membrane rupture, cervical ripening, and uterine contraction and its subsequent involution. Extracellular matrix degradation and remodeling by proteolytic enzymes, such as matrix metalloproteinases (MMPs), are required for the final steps of parturition. MMPs participate in physiological degradation and remodeling through their proteolytic activities on specific substrates, and are balanced by the action of their inhibitors. Disruption to this balance can result in pathological stress that ends with preterm or post‐term birth or pre‐eclampsia. In this review, we examine the roles and regulation of the MMP system in physiological and pathological labor, and propose a model that illustrates the mechanisms by which the MMP system contributes to these processes. Mol. Reprod. Dev. 83: 276–286, 2016. © 2016 Wiley Periodicals, Inc.
Reference‐free single‐pass EPI Nyquist ghost correction using annihilating filter‐based low rank Hankel matrix (ALOHA)
Authors: Lee Juyoung , Jin Kyong Hwan , Ye Jong Chul
Published: February 2016

Purpose

MR measurements from an echo‐planar imaging (EPI) sequence produce Nyquist ghost artifacts that originate from inconsistencies between odd and even echoes. Several reconstruction algorithms have been proposed to reduce such artifacts, but most of these methods require either additional reference scans or multipass EPI acquisition. This article proposes a novel and accurate single‐pass EPI ghost artifact correction method that does not require any additional reference data.

Theory and Methods

After converting a ghost correction problem into separate k‐space data interpolation problems for even and odd phase encoding, our algorithm exploits an observation that the differential k‐space data between the even and odd echoes is a Fourier transform of an underlying sparse image. Accordingly, we can construct a rank‐deficient Hankel structured matrix, whose missing data can be recovered using an annihilating filter‐based low rank Hankel structured matrix completion approach.

Results

The proposed method was applied to EPI data for both single and multicoil acquisitions. Experimental results using in vivo data confirmed that the proposed method can completely remove ghost artifacts successfully without prescan echoes.

Conclusion

Owing to the discovery of the annihilating filter relationship from the intrinsic EPI image property, the proposed method successfully suppresses ghost artifacts without a prescan step. Magn Reson Med 76:1775–1789, 2016. © 2016 International Society for Magnetic Resonance in Medicine
Accelerating chemical exchange saturation transfer (CEST) MRI by combining compressed sensing and sensitivity encoding techniques
Authors: Heo Hye‐Young , Zhang Yi , Lee Dong‐Hoon , Jiang Shanshan , Zhao Xuna , Zhou Jinyuan
Published: February 2016

Purpose

To evaluate the feasibility of accelerated chemical‐exchange‐saturation‐transfer (CEST) imaging using a combination of compressed sensing (CS) and sensitivity encoding (SENSE) at 3 Tesla.

Theory and Methods

Two healthy volunteers and six high‐grade glioma patients were recruited. Raw CEST image k‐space data were acquired (with varied radiofrequency saturation power levels for the healthy volunteer study), and a sequential CS and SENSE reconstruction (CS‐SENSE) was assessed. The MTRasym(3.5 ppm) signals were compared with varied CS‐SENSE acceleration factors.

Results

In the healthy volunteer study, a CS‐SENSE acceleration factor of R = 2 × 2 (CS × SENSE) was achieved without compromising the reconstructed MTRasym(3.5 ppm) image quality. The MTRasym(3.5 ppm) signals obtained from the CS‐SENSE reconstruction with R = 2 × 2 were well preserved compared with the reference image (R = 2 for only SENSE). In the glioma patient study, the MTRasym(3.5 ppm) signals were significantly higher in the tumor region (Gd‐enhancing tumor core) than in the normal‐appearing white matter (P < 0.001). There was no significant MTRasym(3.5 ppm) difference between the reference image and CS‐SENSE‐reconstructed image in the acceleration factor of R = 2 × 2.

Conclusion

Combining the SENSE technique with CS (R = 2 × 2) enables considerable acceleration of CEST image acquisition and potentially has a wide range of clinical applications. Magn Reson Med 77:779–786, 2017. © 2016 International Society for Magnetic Resonance in Medicine
A multidirectional semi‐analytical method for analysis of laterally loaded pile groups in multi‐layered elastic strata
Authors: Tehrani F.S. , Prezzi M. , Salgado R.
Published: February 2016

A semi‐analytical method for calculating the response of single piles and pile groups subjected to lateral loading is developed in this paper. Displacements anywhere in the soil domain are tied to the displacements of the piles through decay functions. The principle of virtual work and the calculus of variations are used to derive the governing differential equations that describe the response of the piles and soil. The eigenvalue method and the finite difference technique are used to solve the system of coupled differential equations for the piles and soil, respectively. The proposed method takes into account the soil surface displacement along and perpendicular to the loading direction and produces displacement fields that are very close to those produced by the finite element method but at lower computational effort. Compared with the previous method that considered only the soil displacement along the loading direction, accounting for the multi‐directional soil displacement field produces responses for the piles and soil that are closer to those approximated by the finite element method. Copyright © 2016 John Wiley & Sons, Ltd.
An analytical model for vapor‐phase volatile organic compound diffusion through landfill composite covers
Authors: Xie Haijian , Yan Huaxiang , Thomas Hywel R. , Feng Shijin , Ran Qihua , Chen Peixiong
Published: February 2016

One‐dimensional mathematical models for vapor‐phase volatile organic compound (VOC) diffusion through composite cover barriers are presented. An analytical solution to the model was obtained by the method of separation of variables. The results obtained by the proposed solution agree well with those obtained by a numerical analysis. Based on the proposed analytical model, the VOC breakthrough curves of five different composite covers are compared. The effects of degree of saturation of geosynthetic clay liner (GCL) or compacted clay liner (CCL) on VOC migration in the composite covers are then presented. Results show that the composite cover barriers provide much better diffusion barriers for VOC than the single CCL. The top surface steady‐state flux for a composite barrier, consisting of a 1.5 mm geomembrane (GM) and a 20 cm CCL, can be 8.3 times lower than that for a 30 cm CCL. The surface steady‐state flux for the case with (1.5 mm GM + 6 mm GCL) was found to be 2.3 times lower than that for the case with (1.5 mm GM + 20 cm CCL). The degree of saturation Sr of the CCL has a great influence on VOC migration in composite covers when Sr is larger than 0.5. The steady‐state flux at the surface of GM for the case with Sr = 0.7 can be 1.8 times lower than that for the case with Sr = 0.2. The proposed analytical model is relatively simple and can be used for verification of complicated numerical models, analysis of experimental data and performance assessment of composite cover barriers. Copyright © 2016 John Wiley & Sons, Ltd.
Joint 2D and 3D phase processing for quantitative susceptibility mapping: application to 2D echo‐planar imaging
Authors: Wei Hongjiang , Zhang Yuyao , Gibbs Eric , Chen Nan‐Kuei , Wang Nian , Liu Chunlei
Published: February 2016

Quantitative susceptibility mapping (QSM) measures tissue magnetic susceptibility and typically relies on time‐consuming three‐dimensional (3D) gradient‐echo (GRE) MRI. Recent studies have shown that two‐dimensional (2D) multi‐slice gradient‐echo echo‐planar imaging (GRE‐EPI), which is commonly used in functional MRI (fMRI) and other dynamic imaging techniques, can also be used to produce data suitable for QSM with much shorter scan times. However, the production of high‐quality QSM maps is difficult because data obtained by 2D multi‐slice scans often have phase inconsistencies across adjacent slices and strong susceptibility field gradients near air–tissue interfaces. To address these challenges in 2D EPI‐based QSM studies, we present a new data processing procedure that integrates 2D and 3D phase processing. First, 2D Laplacian‐based phase unwrapping and 2D background phase removal are performed to reduce phase inconsistencies between slices and remove in‐plane harmonic components of the background phase. This is followed by 3D background phase removal for the through‐plane harmonic components. The proposed phase processing was evaluated with 2D EPI data obtained from healthy volunteers, and compared against conventional 3D phase processing using the same 2D EPI datasets. Our QSM results were also compared with QSM values from time‐consuming 3D GRE data, which were taken as ground truth. The experimental results show that this new 2D EPI‐based QSM technique can produce quantitative susceptibility measures that are comparable with those of 3D GRE‐based QSM across different brain regions (e.g. subcortical iron‐rich gray matter, cortical gray and white matter). This new 2D EPI QSM reconstruction method is implemented within STI Suite, which is a comprehensive shareware for susceptibility imaging and quantification. Copyright © 2016 John Wiley & Sons, Ltd.
High‐fat diet feeding alters olfactory‐, social‐, and reward‐related behaviors of mice independent of obesity
Authors: Takase Kenkichi , Tsuneoka Yousuke , Oda Satoko , Kuroda Masaru , Funato Hiromasa
Published: February 2016

Objective

High‐fat diet (HFD) consumption causes obesity, which is associated with well‐known increased health risks. Moreover, obesity has been associated with altered sensorimotor and emotional behaviors of humans and mice. This study attempted to dissociate the influence of HFD‐induced obesity on behaviors from the influence of HFD consumption itself.

Methods

C57BL male mice were randomly allocated to a low‐fat diet (LFD) group, an HFD‐induced obesity (DIO) group, or a pair‐fed HFD‐feeding nonobese (HFD) group. A comprehensive behavioral test battery was performed on all three groups to assess sensorimotor functions, anxiety‐ and depression‐like behaviors, reward‐related behaviors, social behaviors, and learning/memory functions.

Results

Both the DIO and HFD groups exhibited disturbed olfaction, blunted ethanol preference, and enhanced social interactions. The DIO group exhibited blunted sucrose preference, shorter latency before falling off during the rotarod test, and a lower response to mechanical stimuli.

Conclusions

The HFD‐fed nonobese mice showed altered behaviors related to olfaction, social interactions, and rewards that were similar to those of the DIO mice. This finding suggests that HFD consumption alters a variety of behaviors independent of obesity.
Opposite Anisotropy Effects of Singlet and Triplet Exciton Diffusion in Tetracene Crystal
Authors: Xie Xiaoyu , Ma Haibo
Published: February 2016

We observe the diffusion anisotropy difference between singlet and triplet excitons in organic crystals; that is, singlet and triplet excitons may have completely different spatial direction preference for diffusion. This phenomenon can be ascribed to the distinct dependence of different excitonic couplings (Coulomb Förster vs. exchange Dexter) existing in singlet and triplet excitons on their intermolecular distance and intermolecular orientation. Such a discovery provides insights for understanding the fundamental photophysical process in a vast range of organic condensed‐phase systems and optimizing the efficiency of organic optoelectronic materials.
Forensic Occupational Therapy in Canada: The Current State of Practice
Authors: Chui Adora L.Y. , Wong Chantal Isabelle , Maraj Sara A. , Fry Danielle , Jecker Justine , Jung Bonny
Published: February 2016

Although occupational therapists have been practicing in forensic settings for many years, there is a paucity of literature regarding the nature of this practice in Canada. The purpose of this study was to describe the practices of Canadian occupational therapists in forensic mental health. An online survey was designed based on the Canadian Practice Process Framework. Following purposive and snowball sampling, responses were analysed with descriptive statistics and content analysis. Twenty‐seven clinicians responded (56% response rate). Respondents indicated commonalities in workplaces, client caseloads and practice challenges. The outstanding need in Canada to demonstrate client outcomes through the use of evaluation instruments reflects those practice gaps identified internationally. Education, advocacy and research are critical areas for the development of Canadian forensic occupational therapy. Although findings heavily reflect one provincial context and may not be generalizable to nonhospital settings, a number of priority areas were identified. Future efforts should clarify the role of forensic occupational therapy to stakeholders, and validate their contributions through research that evaluates intervention efficacy and meaningful outcomes. Copyright © 2016 John Wiley & Sons, Ltd.
Conditional Survival and Predictors of Late Death in Patients With Ewing Sarcoma
Authors: Davenport Jillian R. , Vo Kieuhoa T. , Goldsby Robert , West Daniel C. , DuBois Steven G.
Published: February 2016

Purpose

Long‐term survivors of Ewing sarcoma (EWS) are at considerable risk for future complications, including late relapse and death. Data on prognostic factors for late death in those who have survived beyond 5 years are lacking.

Methods

We conducted a retrospective cohort study using the Surveillance, Epidemiology, and End Results database. We obtained clinical features and outcome data on 1,351 patients with EWS who had survived 60 months or more. From these data, we performed univariate and multivariable analyses of overall survival (OS) using log‐rank tests and Cox proportional hazard models.

Results

Of 1,351 patients in the cohort, there were 209 deaths, 144 (69%) of which were reported to be due to EWS. The OS for 5‐year survivors at 10 years was 87.5% (95% confidence interval 85.4–89.3%). Univariate adverse prognostic factors for late death in 5‐year survivors included age ≥ 18 years at initial diagnosis, male sex, and axial/pelvic primary site. Initial stage was not prognostic. Independent adverse prognostic factors for late death included black race (hazard ratio [HR] 2.16, P = 0.01), age ≥ 18 years at diagnosis (HR 2.02, P < 0.001), male sex (HR 1.43, P = 0.01), and axial/pelvic primary site (HR 1.43, P = 0.02).

Conclusions

The majority of late deaths in 5‐year survivors are due to EWS. Black race, age ≥18 at diagnosis, male sex, and axial/pelvic primary site (but not stage at diagnosis) are independently associated with increased risk of late death.
Finding a Life Worth Living: Meaning in Life and Graduation from College
Authors: Wilt Joshua , Bleidorn Wiebke , Revelle William
Published: February 2016

Graduation from college is an important milestone for young adults, marked by mixed emotions and poignancy, and therefore is an especially salient context for studying meaning in life. The present research used experience–sampling methodology to examine the antecedents and consequences of students‘ experience of meaning in life over the course of graduation. Participants were 74 graduating students who provided a total of 538 reports over the span of 3 days, including commencement day. Increased levels of state meaning in life during the days around commencement were linked to spending time with people in general and with family in particular, and thinking about one's years in college. Thinking about one's years in college mediated the effects of present company on state meaning in life. Graduates who experienced higher levels of state meaning in life during the days around their commencement ceremony had higher trait levels of meaning in life 1 week following commencement. We discuss how making meaning of a poignant experience has implications for healthy psychological development. Copyright © 2016 European Association of Personality Psychology
A cost and economic evaluation of the Leeds personality disorder managed clinical network—A service and commissioning development initiative
Authors: Kane Eddie , Reeder Neil , Keane Kimberley , Prince Sharon
Published: February 2016

In the UK, patients with personality disorders presenting complex needs frequently experience an unhelpful pattern of acute treatment followed by community care—with associated high cost implications for services. With UK mental health resources under severe pressure, this leaves commissioners with difficult decisions to make. Yet studies on cost‐effectiveness in respect of personality disorder treatment are scarce, particularly for treatments taking place outside of major teaching hospitals in the USA. This paper studies the benefits of an intensive, holistic approach and finds that the Network achieved substantial reductions in health care usage and expenditure in the short to medium term. Copyright © 2016 John Wiley & Sons, Ltd.
Highly efficient and selective enrichment of glycopeptides using easily synthesized magG/PDA/Au/l‐Cys composites
Authors: Wu Runqing , Li Lanting , Deng Chunhui
Published: February 2016

Highly selective and efficient enrichment of glycopeptides from complex biological samples is necessary. In this study, novel zwitterionic hydrophilic polydopamine‐coated magnetic graphene composites (magG/PDA/Au/l‐Cys) were synthesized and applied to the enrichment of glycopeptides. The size, morphology, and composition of magG/PDA/Au/l‐Cys composites were investigated by transmission electron microscopy, scanning electron microscopy, FT‐infrared spectroscopy, and X‐ray diffraction. The composites possessed a number of desirable characteristics, including good biocompatibility easy separation property and excellent hydrophilicity. By virtue of the features contributed by different ingredients, the prepared composites demonstrated superior performance for glycopeptide enrichment with high sensitivity (0.1 fmol), efficiency, selectivity (1:100), and repeatability (at least ten times). In addition, the composites were successfully applied to the enrichment of glycopeptides from human serum and 40 unique N‐glycosylation peptides from 31 different N‐linked glycoproteins were identified. The superior hydrophilic material is of great potential for the analysis of glycoproteins.
Gradual neofunctionalization in the convergent evolution of trichomonad lactate and malate dehydrogenases
Authors: Steindel Phillip A. , Chen Emily H. , Wirth Jacob D. , Theobald Douglas L.
Published: February 2016

Lactate and malate dehydrogenases (LDH and MDH) are homologous, core metabolic enzymes common to nearly all living organisms. LDHs have evolved convergently from MDHs at least four times, achieving altered substrate specificity by a different mechanism each time. For instance, the LDH of anaerobic trichomonad parasites recently evolved independently from an ancestral trichomonad MDH by gene duplication. LDH plays a central role in trichomonad metabolism by catalyzing the reduction of pyruvate to lactate, thereby regenerating the NAD+ required for glycolysis. Using ancestral reconstruction methods, we identified the biochemical and evolutionary mechanisms responsible for this convergent event. The last common ancestor of these enzymes was a highly specific MDH, similar to modern trichomonad MDHs. In contrast, the LDH lineage evolved promiscuous activity by relaxing specificity in a gradual process of neofunctionalization involving one highly detrimental substitution at the “specificity residue” (R91L) and many additional mutations of small effect. L91 has different functional consequences in LDHs and in MDHs, indicating a prominent role for epistasis. Crystal structures of modern‐day and ancestral enzymes show that the evolution of substrate specificity paralleled structural changes in dimerization and α‐helix orientation. The relatively small “specificity residue” of the trichomonad LDHs can accommodate a range of substrate sizes and may permit solvent to access the active site, both of which promote substrate promiscuity. The trichomonad LDHs present a multi‐faceted counterpoint to the independent evolution of LDHs in other organisms and illustrate the diverse mechanisms by which protein function, structure, and stability coevolve.
Effect of electron blocking layers on the conduction and valence band profiles of InGaN/GaN LEDs
Authors: Hammersley Simon , Dawson Phil , Kappers Menno J. , Massabuau Fabien C.‐P. , Frentrup Martin , Oliver Rachel A. , Humphreys Colin J.
Published: February 2016

In this paper we investigate the effect of including an electron blocking layer between the quantum well active region and the p‐type layers of a light emitting diode has on the conduction and valence band profile of a light emitting diode. Two light emitting diode structures with nominally identical quantum well active regions one containing an electron blocking layer and one without were grown for the purposes of this investigation. The conduction and valence band profiles for both structures were then calculated using a commercially available Schrödinger‐Poisson calculator, and a modification to the electric field across the QWs observed. The results of these calculations were then compared to photoluminescence and photoluminescence time decay measurements. The modification in electric field across the quantum wells of the structures resulted in slower radiative recombination in the sample containing an electron blocking layers. The sample containing an electron blocking layer was also found to exhibit a lower internal quantum efficiency, which we attribute to the observed slower radiative recombination lifetime making radiative recombination less competitive. (© 2016 The Authors. Phys. Status Solidi C published by WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Role of electron‐phonon interaction in the temperature dependence of the phonon mode frequency in II‐VI compound alloys
Authors: Polit Jacek , Woźny Mariusz , Cebulski Józef , Marcelli Claudio , Piccinini Massimo , Sheregii Eugeniusz M.
Published: February 2016

We present an experimental investigation of the temperature dependence of the TO‐phonon mode frequencies for the HgTe‐based II‐VI semiconductor solid solutions. In the case of the ternary Hg0.9Zn0.1Te solid solution was shown a discontinuity in the temperature dependence of the HgTe‐like TO‐mode and of the ZnTe‐like TO‐mode, similar to the Hg0.885Cd0.115Te system [Sheregii et al., Phys. Rev. Lett. 102, 045504 (2009)]. A generalization of the theoretical temperature shift of the phonon mode frequency as analytic equation is derived that includes both the anharmonic contribution and the electron‐phonon e‐p interaction which in this case is returnable the electron subsystem effect on the phonon one. Data show that our equation satisfactorily describes the temperature shift of both Hg0.885Cd0.115Te and Hg0.9Zn0.1Te containing Dirac point (Eg = Γ6–ΓΓ8 = 0) although one of the two constants describing the anharmonic shift of the HgTe‐like mode should be positive what is abnormal too. (© 2016 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
Metabolomics Study of Type 2 Diabetes Mellitus and the AntiDiabetic Effect of Berberine in Zucker Diabetic Fatty Rats Using Uplc‐ESI‐Hdms
Authors: Dong Yu , Chen Yi‐Tao , Yang Yuan‐Xiao , Zhou Xiao‐Jie , Dai Shi‐Jie , Tong Jun‐Feng , Shou Dan , Li Changyu
Published: February 2016

The present study aimed to evaluate the pathogenesis of type 2 diabetes mellitus (T2DM) and the anti‐diabetic effect of berberine in Zucker diabetic fatty (ZDF) rats. A urinary metabolomics analysis was performed with ultra‐performance liquid chromatography/electrospray ionization synapt high‐definition mass spectrometry. Pattern recognition approaches were integrated to discover differentiating metabolites. We identified 29 ions (13 in negative mode and 16 in positive mode) as ‘differentiating metabolites’ with this metabolomic approach. A functional pathway analysis revealed that the alterations were mainly associated with glyoxylate and dicarboxylate metabolism, pentose and glucuronate interconversions and sphingolipid metabolism. These results indicated that the dysfunctions of glycometabolism and lipometabolism are involved in the pathological process of T2DM. Berberine could decrease the serum levels of glycosylated hemoglobin, total cholesterol and triglyceride and increase the secretion of insulin. The urinary metabolomics analysis showed that berberine could reduce the concentrations of citric acid, tetrahydrocortisol, ribothymidine and sphinganine to a near‐normal state. These results suggested that the anti‐diabetic effect of berberine occurred mainly via its regulation of glycometabolism and lipometabolism and activation of adenosine 5′‐monophosphate‐activated protein kinase. Our work not only provides a better understanding of the anti‐diabetic effect of berberine in ZDF rats but also supplies a useful database for further study in humans and for investigating the pharmacological actions of drugs. Copyright © 2016 John Wiley & Sons, Ltd.
A Nonlinear Integer Programming Approach to Solving the Robust Parameter Design Optimization Problem
Authors: Ozdemir Akin , Cho Byung Rae
Published: February 2016

Robust parameter design is a widely implemented design methodology for continuous quality improvement by identifying optimal factor level settings with minimum product variation. However, apparent flaws surrounding the original version of robust parameter design have resulted in alternative approaches, of which response surface methodology using the central composite design, in particular, has drawn a great deal of attention. There is a large number of practical situations in which some or all of variables must be integers; however, the design space associated with the traditional central composite design is typically a bounded convex feasible set involving real numbers. The purpose of this paper is twofold. First, we discuss why the Box–Behnken design may be preferred over the central composite design and other three‐level designs when maintaining constant or nearly constant prediction variance associated with a second‐order model is crucial to integer‐valued robust parameter design problems. Second, we lay out the foundation to show how the Box–Behnken design is transformed into a nonlinear integer programming framework. In this paper, we develop Box–Behnken design embedded nonlinear integer programming models, using the sequential quadratic integer programming and the Karush–Khun–Tucker conditions. Comparison studies of the proposed models and traditional counterparts are also conducted. It is believed that the proposed models have the potential to impact a wide range of engineering problems, ultimately leading to process and quality improvement. Copyright © 2016 John Wiley & Sons, Ltd.
Theoretical study of the interaction of fluorinated dimethyl ethers and the ClF and HF molecules. Comparison between halogen and hydrogen bonds
Authors: Sutradhar Dipankar , Chandra Asit K. , Zeegers‐Huyskens Thérèse
Published: February 2016

A theoretical study of the halogen‐bonded complexes formed between fluorinated dimethyl ethers (nF = 0–4) and ClF is carried out using the wB97XD method combined with the 6‐311++G(d,p) basis set. The properties of the complexes are compared with the corresponding properties of the hydrogen‐bonded complexes formed between the same electron donors and HF. The optimized geometries, the interaction energies, relevant natural bonding orbital characteristics along with some vibrational data are calculated. The analyzed properties also include the symmetry adapted perturbation theory decomposition of the energies along with the atoms‐in molecule analysis. For both the halogen and hydrogen bonds, the interaction energies are ruled by the intermolecular hyperconjugation energies. In contrast, the correlations between the binding energies and the basic properties of the ethers or the charge transfer are different for the halogen and hydrogen bonds. The applicability of the Bent's rule to these systems is discussed. © 2016 Wiley Periodicals, Inc.
Suppression of noise in SEM images using weighted local hysteresis smoothing filter
Authors: Mazhari Mohadeseh , Hasanzadeh Reza P. R.
Published: February 2016

It has been proven that Hysteresis Smoothing (HS) has several advantages for Scanning Electron Microscopy (SEM) image noise reduction. HS uses hysteresis thresholding to remove noise besides preserving important details of images. Determination of optimal threshold values (cursor width) plays an effective role in improving the performance of HS based filters. Recently, a novel local technique, named Local Adaptive Hysteresis Smoothing (LAHS), has been proposed to compute an optimal cursor width. In this paper, a new method is proposed to improve the performance of LAHS in noise reduction and detail preservation. In the proposed approach which is based on weighted averaging, local statistical characteristics of the image are used in order to modify the final values of estimated pixels by LAHS method. Proposed method is applied to SEM images corrupted by different levels of noise. Noise reduction and detail preservation performance of the proposed method is compared in both objective and subjective manners with other HS based filters. Experimental results demonstrate that the proposed method is successful in improving the performance of LAHS and also it achieves better performance in noise reduction besides detail preservation of SEM images in comparison with other HS based filters. SCANNING 38:634–643, 2016. © 2016 Wiley Periodicals, Inc.
An improved cumulative sum‐based procedure for prospective disease surveillance for count data in multiple regions
Authors: Dassanayake Sesha , French Joshua P.
Published: February 2016

We present an improved procedure for detecting outbreaks in multiple spatial regions using count data. We combine well‐known methods for disease surveillance with recent developments from other areas to provide a more powerful procedure that is still relatively simple and fast to implement. Disease counts from neighboring regions are aggregated to compute a Poisson cumulative sum statistic for each region of interest. Instead of controlling the average run length criterion in the monitoring process, we instead utilize the FDR, which is more appropriate in a public health context. Additionally, p‐values are used to make decisions instead of traditional critical values. The use of the FDR and p‐values in testing allows us to utilize recently developed multiple testing methodologies, greatly increasing the power of this procedure. This is verified using a simulation experiment. The simplicity and rapid detection ability of this procedure make it useful in disease surveillance settings. The procedure is successfully applied in detecting the 2011 Salmonella Newport outbreak in 16 German federal states. Copyright © 2016 John Wiley & Sons, Ltd.
Recurrent event data analysis with intermittently observed time‐varying covariates
Authors: Li Shanshan , Sun Yifei , Huang Chiung‐Yu , Follmann Dean A. , Krause Richard
Published: February 2016

Although recurrent event data analysis is a rapidly evolving area of research, rigorous studies on estimation of the effects of intermittently observed time‐varying covariates on the risk of recurrent events have been lacking. Existing methods for analyzing recurrent event data usually require that the covariate processes are observed throughout the entire follow‐up period. However, covariates are often observed periodically rather than continuously. We propose a novel semiparametric estimator for the regression parameters in the popular proportional rate model. The proposed estimator is based on an estimated score function where we kernel smooth the mean covariate process. We show that the proposed semiparametric estimator is asymptotically unbiased, normally distributed, and derives the asymptotic variance. Simulation studies are conducted to compare the performance of the proposed estimator and the simple methods carrying forward the last covariates. The different methods are applied to an observational study designed to assess the effect of group A streptococcus on pharyngitis among school children in India. Copyright © 2016 John Wiley & Sons, Ltd.
Interval estimation of small tail probabilities – applications in food safety
Authors: Kedem Benjamin , Pan Lemeng , Zhou Wen , Coelho Carlos A.
Published: February 2016

Often in food safety and bio‐surveillance it is desirable to estimate the probability that a contaminant or a function thereof exceeds an unsafe high threshold. The probability or chance in question is very small. To estimate such a probability, we need information about large values. In many cases, the data do not contain information about exceedingly large contamination levels, which ostensibly renders the problem insolvable. A solution is suggested whereby more information about small tail probabilities are obtained by combining the real data with computer‐generated data repeatedly. This method provides short yet reliable interval estimates based on moderately large samples. An illustration is provided in terms of lead exposure data. Copyright © 2016 John Wiley & Sons, Ltd.
Real‐time damage detection based on pattern recognition
Authors: de Oliveira Dias Prudente dos Santos João Pedro , Crémona Christian , da Silveira António Paulo Campos , de Oliveira Martins Luís Calado
Published: February 2016

Structural health monitoring (SHM) can be defined as the process of developing and implementing structural damage detection strategies. Ideally, this detection should be carried out in real time before damage reaches a critical state and impairs structural performance and safety. Hence, it must be based on sensorial systems permanently installed on the target structures and on fully automatic detection methodologies.

The ability to detect damage in real‐time is vital for controlling the safety of old structures or for post‐retrofitting/post‐accident situations, where it might even be mandatory for ensuring a safe service. Under these constraints, SHM systems and strategies must be capable of conducting baseline‐free damage identification, i.e. they must not rely on comparing newly acquired data with baseline references in which structures must be assumed as undamaged.

The present paper describes an original strategy for baseline‐free damage detection based on the application of artificial neural networks and clustering methods in a moving windows process. The proposed strategy was tested on and validated with numerical and experimental data obtained from a concrete cable stayed bridge and proved effective for the automatic detection of small stiffness reductions in single stay cables as well as the detachment of neoprene pads in anchoring devices, requiring only a small number of inexpensive sensors.
Punching shear tests on compact footings with uniform soil pressure
Authors: Simões João T. , Bujnak Jan , Ruiz Miguel Fernández , Muttoni Aurelio
Published: February 2016

Punching shear is usually the governing failure criterion when selecting the depth of reinforced concrete footings. Despite the fact that large experimental programmes aimed at the punching strength of slender flat slabs have been performed in the past, only a few experimental campaigns on full‐scale compact reinforced concrete footings can be found in the literature. This paper presents the results of an experimental programme including eight reinforced concrete footings with a nominal thickness of 550 mm. These experiments investigated the influence of column size, member slenderness and the presence of compression and shear reinforcement. The tests were performed using an innovative test setup to ensure a uniform soil pressure. The experimental results show that slenderness influences the punching shear strength as well as the effectiveness of the shear reinforcement. The experiments also show that an important interaction occurs between bending and shear for high levels of shear force near the column (the typical case of compact footings or members with large amounts of shear reinforcement). Different continuous measurements recorded during the experimental tests allow a complete description of the kinematics and strains at failure. On that basis, experimental evidence is obtained showing that crushing of the concrete struts near the column is the phenomenon that triggers the punching failure of compact footings.