bluuebunny/crossref_metadata_2025 huggingface dataset:
Microfiltration of enzyme treated egg whites for accelerated detection of viable Salmonella
Authors: Ku Seockmo , Ximenes Eduardo , Kreke Thomas , Foster Kirk , Deering Amanda J. , Ladisch Michael R.
Published: August 2016

We report detection of <13 CFU of Salmonella per 25 g egg white within 7 h by concentrating the bacteria using microfiltration through 0.2‐μm cutoff polyethersulfone hollow fiber membranes. A combination of enzyme treatment, controlled cross‐flow on both sides of the hollow fibers, and media selection were key to controlling membrane fouling so that rapid concentration and the subsequent detection of low numbers of microbial cells were achieved. We leveraged the protective effect of egg white proteins and peptone so that the proteolytic enzymes did not attack the living cells while hydrolyzing the egg white proteins responsible for fouling. The molecular weight of egg white proteins was reduced from about 70 kDa to 15 kDa during hydrolysis. This enabled a 50‐fold concentration of the cells when a volume of 525 mL of peptone and egg white, containing 13 CFU of Salmonella, was decreased to a 10 mL volume in 50 min. A 10‐min microcentrifugation step further concentrated the viable Salmonella cells by 10×. The final cell recovery exceeded 100%, indicating that microbial growth occurred during the 3‐h processing time. The experiments leading to rapid concentration, recovery, and detection provided further insights on the nature of membrane fouling enabling fouling effects to be mitigated. Unlike most membrane processes where protein recovery is the goal, recovery of viable microorganisms for pathogen detection is the key measure of success, with modification of cell‐free proteins being both acceptable and required to achieve rapid microfiltration of viable microorganisms. © 2016 American Institute of Chemical Engineers Biotechnol. Prog., 32:1464–1471, 2016
East Meets West – Joint Meeting of European and Asian Pacific Chapters at LIDA Conference
Authors: Levine Emil , Krtalić Maja
Published: August 2016

EDITOR'S SUMMARY

The 2016 Libraries in the Digital Age (LIDA) Conference in Croatia provided an opportunity for ASIS&T's European and Asian Pacific Chapters to come together for events and discussion of professional issues, with 43 members attending. ASIS&T dignitaries, including past presidents Tefko Saracevic and Diane Sonnenwald, led discussions about how professional associations can aid graduate students starting their careers through networking, academic opportunities and other resources. A Ph.D. forum drew about 60 participants, including LIDA attendees. Special announcements included the winners of top study projects and the LIDA poster contest, earning free ASIS&T membership or a cash award, and a new anonymous donor program for student memberships. The meeting was a valuable channel to promote ASIS&T membership and discuss the Association's broad and local strategic goals.
Cochlear implant‐related three‐dimensional characteristics determined by micro‐computed tomography reconstruction
Authors: Ni Yusu , Dai Peidong , Dai Chunfu , Li Huawei
Published: August 2016

To explore the structural characteristics of the cochlea in three‐dimensional (3D) detail using 3D micro‐computed tomography (mCT) image reconstruction of the osseous labyrinth, with the aim of improving the structural design of electrodes, the selection of stimulation sites, and the effectiveness of cochlear implantation. Three temporal bones were selected from among adult donors' temporal bone specimens. A micro‐CT apparatus (GE eXplore) was used to scan three specimens with a voxel resolution of 45 μm. We obtained about 460 slices/specimen, which produced abundant data. The osseous labyrinth images of three specimens were reconstructed from mCT. The cochlea and its spiral characteristics were measured precisely using Able Software 3D‐DOCTOR. The 3D images of the osseous labyrinth, including the cochlea, vestibule, and semicircular canals, were reconstructed. The 3D models of the cochlea showed the spatial relationships and surface structural characteristics. Quantitative data concerning the cochlea and its spiral structural characteristics were analyzed with regard to cochlear implantation. The 3D reconstruction of mCT images clearly displayed the detailed spiral structural characteristics of the osseous labyrinth. Quantitative data regarding the cochlea and its spiral structural characteristics could help to improve electrode structural design, signal processing, and the effectiveness of cochlear implantation. Clin. Anat. 30:39–43, 2017. © 2016 Wiley Periodicals, Inc.
Activation of an exonic splice‐donor site in exon 30 of CDK5RAP2 in a patient with severe microcephaly and pigmentary abnormalities
Authors: Pagnamenta Alistair T. , Howard Malcolm F. , Knight Samantha J. L. , Keays David A. , Quaghebeur Gerardine , Taylor Jenny C. , Kini Usha
Published: August 2016

Key Clinical Message

This report constitutes the first report of a cryptic exonic splice‐donor site in CDK5RAP2, highlights the importance of evaluating novel splice mutations, and suggests that the phenotypic range associated with CDK5RAP2 mutations may include skin pigmentary abnormalities.
Hydroformylation of 2‐Alkynylanilines: Toward an Alternative Methodology for the Synthesis of 3‐Substituted Indoles
Authors: Holzapfel Cedric , Dasilva Etelinda , Den Drijver Laetitia , Bredenkamp Tyler
Published: August 2016

A potentially viable route for the synthesis of 3‐substituted indoles is presented herein. The methodology is based on a regioselective Rh‐catalysed hydroformylation of prepared 2‐alkyn‐1‐ylanilines. The requisite 2‐alkynylaniline substrates were prepared in high yields (>85 %) using the Pd‐catalysed Sonogashira reaction. A catalyst complex that comprises RhI(CO)(PPh3)3 and 1,2‐bis(diphenylphosphino)ethane as the ligand allowed the quantitative conversions of the alkynyl substrates with selectivities >75 % for the desired 3‐substituted indoles.
Branched Diol Monomers from the Sequential Hydrogenation of Renewable Carboxylic Acids
Authors: Spanjers Charles S. , Schneiderman Deborah K. , Wang Jay Z. , Wang Jingyu , Hillmyer Marc A. , Zhang Kechun , Dauenhauer Paul J.
Published: August 2016

A prominent challenge in replacing petrochemical polymers with bioderived alternatives is the efficient transformation of biomass into useful monomers. In this work, we demonstrate a practical process for the synthesis of multifunctional alcohols from five‐ and six‐carbon acids using heterogeneous catalysts in aqueous media. Design of this process was guided by thermodynamic calculations, which indicate the need for two sequential high‐pressure hydrogenations: one, reduction of the acid to a lactone at high temperature; two, further reduction of the lactone to the corresponding diol or triol at low temperature. For example, the conversion of mesaconic acid into (α or β)‐methyl‐γ‐butyrolactone was achieved with 95 % selectivity at a turnover frequency of 1.2 min−1 over Pd/C at 240 °C. Subsequent conversion of (α or β)‐methyl‐γ‐butyrolactone into 2‐methyl‐1,4‐butanediol was achieved with a yield of 80 % with Ru/C at 100 °C. This process is an efficient method for the production of lactones, diols, and triols, all valuable monomers for the synthesis of bioderived branched polyesters.
Syndiotactic Polymer of Allylcyclopentane by a Metallocene Catalyst
Authors: Wang Wei , Hou Liping , Sheng Jianfang
Published: August 2016

Syndiospecific (co)polymerization of some higher α‐olefins was performed by using a metallocene catalyst. Homopolymers of allylcyclopentane, 4‐methyl‐1‐pentene, and allylcyclohexane are highly syndiotactic. The results of the copolymerization of allylcyclopentane with 1‐hexene, 1‐octene, or 1‐decene showed that the incorporation of a linear higher α‐olefin interfered with the syndiospecificity of the catalyst, and the melting point of the resulting copolymer decreased with the incorporation of the comonomer. In contrast, the copolymer of allylcyclopentane with 4‐methyl‐1‐pentene or allylcyclohexane maintained the high syndiotacticity, and the melting point also remained almost unchanged no matter how much the comonomer was incorporated. It followed that the “shape” of the monomer had a significant influence on the structure of the copolymer. The monomers employed in copolymerization with a similar “shape” gave a copolymer with a similar microstructure.
Aromaticity‐Controlled Energy Storage Capacity of the Dihydroazulene‐Vinylheptafulvene Photochromic System
Authors: Skov Anders B. , Broman Søren Lindbæk , Gertsen Anders S. , Elm Jonas , Jevric Martyn , Cacciarini Martina , Kadziola Anders , Mikkelsen Kurt V. , Nielsen Mogens Brøndsted
Published: August 2016

Photochemical conversion of molecules into high‐energy isomers that, after a stimulus, return to the original isomer presents a closed‐cycle of light‐harvesting, energy storage, and release. One challenge is to achieve a sufficiently high energy storage capacity. Here, we present efforts to tune the dihydroazulene/vinylheptafulvene (DHA/VHF) couple through loss/gain of aromaticity. Two derivatives were prepared, one with aromatic stabilization of DHA and the second of VHF. The consequences for the switching properties were elucidated. For the first type, sigmatropic rearrangements of DHA occurred upon irradiation. Formation of a VHF complex could be induced by a Lewis acid, but addition of H2O resulted in immediate regeneration of DHA. For the second type, the VHF was too stable to convert into DHA. Calculations support the results and provide new targets. We predict that by removing one of the two CN groups at C‐1 of the aromatic DHA, the heat storage capacity will be further increased, as will the life‐time of the VHF. Calculations also reveal that a CN group at the fulvene ring retards the back‐reaction, and we show synthetically that it can be introduced regioselectively.
Nucleophilic Aromatic Substitution on Pentafluorophenyl‐Substituted Dipyrranes and Tetrapyrroles as a Route to Multifunctionalized Chromophores for Potential Application in Photodynamic Therapy
Authors: Gutsche Claudia S. , Ortwerth Marlene , Gräfe Susanna , Flanagan Keith J. , Senge Mathias O. , Reissig Hans‐Ulrich , Kulak Nora , Wiehe Arno
Published: August 2016

The application of porphyrinoids in biomedical fields, such as photodynamic therapy (PDT), requires the introduction of functional groups to tune their solubility for the biological environment and to allow a coupling to other active moieties or carrier systems. A valuable motif in this regard is the pentafluorophenyl (PFP) substituent, which can easily undergo a regiospecific nucleophilic replacement (SNAr) of its para‐fluorine atom by a number of nucleophiles. Here, it is shown that, instead of amino‐substitution on the final porphyrinoid or BODIPY (boron dipyrromethene), the precursor 5‐(PFP)‐dipyrrane can be modified with amines (or alcohols). These dipyrranes were transformed into amino‐substituted BODIPYs. Condensation of these dipyrranes with aldehydes gave access to trans‐A2B2‐porphyrins and trans‐A2B‐corroles. By using pentafluorobenzaldehyde, it was possible to introduce another para‐fluorine atom, which enabled the synthesis of multifunctionalized tetrapyrroles. Furthermore, alkoxy‐ and amino‐substituted dipyrranes were applied to the synthesis of A3B3‐hexaphyrins. The polar porphyrins that were prepared by using this method exhibited in vitro PDT activity against several tumor cell lines.
Quenching of pH‐Responsive Luminescence of a Benzoindolizine Sensor by an Ultrafast Hydrogen Shift
Authors: Zhou Jiawang , Outlaw Victor K. , Townsend Craig A. , Bragg Arthur E.
Published: August 2016

Fluorescent‐sensor design requires consideration of how photochemical dynamics control properties of a sensing state. Transient absorption (TA) spectroscopy reveals an ultrafast net [1,3]‐hydrogen shift following excitation of a protonated methoxy benzoindolizine (bzi) sensor in solution. These photochemical dynamics explain a quenched pH‐responsive fluorescence shift and dramatically reduced fluorescence quantum yield relative to other (e. g. methyl) bzi compounds that do not tautomerize. Calculations predict the energetic and structural feasibility for rearrangement in protonated bzi compounds, such that interaction between the pi‐network and strongly electron‐donating methoxyl must lower the barrier for suprafacial H or H+ shift across an allylic moiety. As bzi compounds broadly exhibit pH‐responsive emission shifts, chemical interactions that modulate this electronic interaction and suppress tautomerization could be used to facilitate binding‐ or surface‐specific acid‐responsive sensing.
Entropic Phase Transitions with Stable Twisted Intermediates of Bio‐Inspired Self‐Assembly
Authors: Tao Kai , Levin Aviad , Jacoby Guy , Beck Roy , Gazit Ehud
Published: August 2016

Controlling the hierarchical process and capturing the intermediate stage underlying bio‐inspired self‐assembly are pivotal for understanding their aggregation mechanism and exploring possible applications. Here, the self‐assembly of a designed minimal lipopeptide was characterized, showing it to initially self‐assemble to narrow nanotwists, which then ripen to wide nanotwists, and finally transit to hollow nanotubes. The supramolecular phase transitions were revealed to be driven by entropic hydrophobic interactions, rather than by the common mechanism of enthalpy‐related contributions. The transformation dynamics were sufficiently slow to enable detection and characterization of each stage, thus inducing the stable and extensive distributions of twisted intermediates. The findings allow an in‐depth understanding of the hierarchical self‐association of bio‐inspired building blocks and provide a new approach for the preparation of superstructures of unique morphologies.
Meta‐analysis of Vitamin D Deficiency and Risk of Atrial Fibrillation
Authors: Zhang Zhiwei , Yang Yajuan , Ng Chee Yuan , Wang Dandan , Wang Jianlong , Li Guangping , Liu Tong
Published: August 2016

Background

There are accumulating studies investigating the association between vitamin D status and the risk of atrial fibrillation (AF). However, the results in these studies were inconsistent in regard to the role of vitamin D deficiency in predicting the development of AF.

Hypothesis

Vitamin D deficiency is associated increased risk of AF.

Methods

Using PubMed and Embase databases, we searched for records published before March 2016. Additionally, a manual search was conducted using all review articles on this topic. Of the 587 initially identified records, 8 studies with a total of 27 307 patients were finally analyzed.

Results

In the categorical variable analysis, vitamin D deficiency was associated with the occurrence of AF (odds ratio: 1.31, 95% confidence interval: 1.06‐1.62, P = 0.01). In the continuous variable analysis, higher vitamin D levels appear to protect against the development of AF (odds ratio: 0.92, 95% confidence interval: 0.87‐0.97, P = 0.002). However, the association is weak on the pooled analysis of prospective cohort studies focused on new‐onset AF (P = 0.07 and 0.04), whereas the pooled analysis of case–control studies mainly assessing for chronic AF strongly support such an association (both P < 0.0001).

Conclusions

Vitamin D deficiency modestly increases the risk of AF. Further studies are needed to determine the if there is a direct causal relationship between vitamin D levels and AF and whether vitamin D supplements will prevent new‐onset AF.
Evidence for ecological speciation via a host shift in the holly leaf miner,Phytomyza glabricola(Diptera: Agromyzidae)
Authors: Hébert Julie B. , Scheffer Sonja J. , Hawthorne David J.
Published: August 2016

Evolutionary radiations have been well documented in plants and insects, and natural selection may often underly these radiations. If radiations are adaptive, the diversity of species could be due to ecological speciation in these lineages. Agromyzid flies exhibit patterns of repeated host‐associated radiations. We investigated whether host‐associated population divergence and evidence of divergent selection exist in the leaf minerPhytomyza glabricolaon its sympatric host plants, the holly species,Ilex coriaceaandI. glabra. UsingAFLPs and nuclear sequence data, we found substantial genetic divergence between host‐associated populations of these flies throughout their geographic range. Genome scans using theAFLPdata identified 13 loci under divergent selection, consistent with processes of ecological speciation.EF‐1αdata suggest that I. glabrais the original host ofP. glabricolaand thatI. coriaceais the novel host, but theAFLPdata are ambiguous with regard to directionality of the host shift.
Influence of smoking with smoke flavorings on the oxidative stability of farmed sea bass fillets monitored by 1H NMR and FTIR
Authors: Vidal Natalia P. , Manzanos María J. , Goicoechea Encarnación , Guillén María D.
Published: August 2016

Farmed European sea bass (Dicentrarchus labrax) fillets were smoked with three commercial smoke flavorings. Unsmoked and smoked fillets were submitted to oxidative conditions to study their oxidative stability. To this aim, at regular intervals of time under oxidative conditions, their lipids were extracted and studied by Fourier transform mid‐infrared spectroscopy (FTIR) and Proton nuclear magnetic resonance (1H NMR). Both kinds of spectra provide markers referred to the beginning and extension of the lipid degradation and of the formation of new compounds resulting from the oxidation process. Obtaining these data from FTIR is easier, simpler, and quicker than it is from 1H NMR, but this latter technique provides, simultaneously, additional interesting information about the sample. The increase of the oxidative stability of sea bass fillets as a consequence of smoking is proved, as well as the influence on this increase of the concentration of certain phenolic smoke components in the fillets.

Practical applications: Farmed European sea bass is widely available in the market, in some occasions the supply being greater than the demand. This study could be very interesting for the seafood industry, because smoking of sea bass fillets with smoke flavorings not only extends their shelf‐life, but also provides them with special sensory characteristics, diversifying its presence in the market as a new ready‐to‐eat product. Nevertheless, it must be taken into account that not all the smoke flavorings show the same effect on fish. This study demonstrates that the smoke flavoring composition and its application method have a great influence on the oxidative stability of smoked sea bass fillets.

A study of the lipid oxidative stability of unsmoked and smoked sea bass fillets with three different commercial smoke flavorings was undertaken. To this aim, unsmoked and smoked sea bass fillets were submitted to oxidative conditions and their lipids were extracted and analyzed by Fourier transform infrared spectroscopy (FTIR) and Proton nuclear magnetic resonance (1H NMR) periodically.
Synthesis of conjugated linoleic acid by microwave‐assisted alkali isomerization using propylene glycol as solvent
Authors: Silva‐Ramírez Ana Sonia , Rocha‐Uribe Alejandro , González‐Chávez Marco Martín , González Carmen
Published: August 2016

Conjugated linoleic acid (CLA) is a group of isomers of linoleic acid (LA) with a conjugated double‐bond system that occurs in trace amounts in natural oils. As result of the beneficial properties on the health, bioactive isomers of CLA (cis9,trans11‐CLA and trans10,cis12‐CLA) have been industrially produced by alkali isomerization of LA. A large amount of studies regarding the CLA production might be found; however, new approaches as the use of microwave irradiation have been recently suggested. Here, we develop an efficient and sustainable method to selectively produce bioactive CLA by microwave‐assisted isomerization of LA using propylene glycol as solvent. The investigated reaction variables were solvent/LA mass ratio (1:1–6:1), catalyst/LA mass ratio (0.25:1–0.6:1), temperature (160–180°C), catalyst type (KOH or NaOH), and reaction time. The results showed that: (i) KOH increased the production of conjugated trans‐trans isomers; (ii) a considerable reduction of propylene glycol on the reaction was possible using NaOH; and (iii) the reaction time was drastically reduced in comparison to conventional heating. Thus, the optimum conditions for the cis9,trans11‐CLA and trans10,cis12‐CLA production (91.21% in equimolar ratio) were: NaOH at a catalyst/LA mass ratio of 0.5:1 and solvent/LA mass ratio of 1:1 at 160°C during 4 min.

Practical applications: CLA has been subject of growing interest in nutrition and the food industry due to its wide range of biological activities including anti‐carcinogenic and anti‐atherogenic properties. Here, the chemical synthesis of CLA by microwave‐assisted alkali isomerization was studied in order to lower the production costs by decreasing both, the propylene glycol content (the most expensive solvent used for this kind of reaction) and the reaction time. In comparison to conventional heating, reaction time was drastically reduced by employing microwave heating while the selective synthesis of cis9,trans11‐CLA and trans10,cis12‐CLA was achieved at low solvent conditions when the reaction conditions were optimized. In this sense, the methodology developed in this work could be used in order to obtain more efficiently and sustainably the bioactive forms of CLA, which in turn could be used in the manufacture of functional foods or dietary supplements.

cis9,trans11‐CLA and trans10,cis12‐CLA were selectively synthetized through basic catalysis of linoleic acid in propylene glycol under microwave irradiation.
Complementary Methods for the Introduction of the (E)‐3‐(Pentafluorosulfanyl)allyl Chain unto O‐, N‐, S‐, and C‐Based Nucleophiles
Authors: Desroches Justine , Forcellini Elsa , Paquin Jean‐François
Published: August 2016

Two methods for the introduction of the (E)‐3‐(pentafluorosulfanyl)allyl chain unto various nucleophiles were investigated: a palladium‐catalyzed Tsuji–Trost reaction of (E)‐ethyl [3‐(pentafluorosulfanyl)allyl]carbonate and a nucleophilic substitution reaction on (E)‐[3‐(pentafluorosulfanyl)allyl] 4‐methylbenzenesulfonate. Various nucleophiles were examined including phenols, aliphatic and aromatic amines, aliphatic and aromatic thiols and malonates. Overall, the two approaches were found to be complementary as the Tsuji–Trost reaction worked better with phenols while the SN2 reaction generally provided better results with the amines. In addition, the sulfur‐based product could only be obtained using the SN2 reaction while the malonates only worked under the Tsuji–Trost conditions.
Porous‐Resin‐Supported Calcium Sulfate Materials for Thermal Energy Storage
Authors: Huang Hongyu , Li Jun , Huhetaoli  , Osaka Yugo , Wang Chenguang , Kobayashi Noriyuki , He Zhaohong , Deng Lisheng
Published: August 2016

A new porous‐resin‐supported calcium sulfate (CaSO4‐PSM) material with high‐density and high reactivity for chemical heat storage is developed and characterized. The newly developed CaSO4‐PSM exhibits a higher reactivity than normal CaSO4. Furthermore, the particle diameter is an important factor for the development of new chemical thermal energy storage (CTES) material. CaSO4‐PSM exhibits good performance in the hydration and dehydration processes when used as a CTES material. The hydration reaction rate of the particle with a diameter of 75 μm is 13.3 times of that of 750 μm, whereas, the dehydration reaction velocity is approximately 1.5 times higher. This finding is due to more abundant favorable pore channels for vapor transport and a larger specific surface area. Aggregation of the CaSO4 particles before and after repetitive operations can be eliminated, and a good durability of the new porous supported thermal energy storage material of CaSO4 can be obtained.
Scalable Fabrication of Flexible Solid‐State Asymmetric Supercapacitors with a Wide Operation Voltage utilizing Printable Carbon Film Electrodes
Authors: Zhong Yan , Shi Tielin , Liu Zhiyong , Huang Yuanyuan , Cheng Siyi , Cheng Chaoliang , Li Xiaoping , Liao Guanglan , Tang Zirong
Published: August 2016

The rapid development of portable electronics has put great demand on flexible energy‐storage devices, such as solid‐state supercapacitors (SCs). However, the scalable fabrication of flexible SCs is still an issue. Herein, a simple and low‐temperature route for the scalable fabrication of flexible SCs is presented. First, a printable process is developed to fabricate a carbon film electrode on graphite paper, which serves as the anode. Then, the cathode is fabricated by electrodepositing MnO2 on the carbon film. Utilizing LiCl/polyvinyl alcohol (PVA) as a solid‐state electrolyte, the assembled device exhibits excellent electrochemical performance even in a bent state or under high‐temperature conditions. The operating voltage of the device is extended to 2.0 V. An energy density of 0.766 mWh cm−3, 91.4 % retention of the initial capacitance after 4000 cycles, and stable capacitive behavior at different bent angles can be achieved. At 60 °C, 97.7 % of the initial capacitance is retained after 2000 cycles. This printable process with simple, low‐costing, and low‐temperature features holds promise for applications in the scalable fabrication of flexible carbon‐based SCs.
A comparative study and unification of two methods for controlling dynamically substructured systems
Authors: Stoten David Paul
Published: August 2016

This paper addresses the problem of advanced testing of systems via the principle of dynamic substructuring. Use is made of the hybrid simulation (HS) scheme framework to develop a new method of synthesis for the dynamically substructured system (DSS) scheme of Stoten and Hyde. Principal reasons for doing this are (i) to improve upon the original method of DSS synthesis by adopting the more intuitive framework of HS and (ii) to enable the amalgamation of HS and DSS into a unified substructured system (USS) scheme, so that the significant advantages of DSS can be incorporated into an existing HS scheme as a straightforward retrofit. Having established the common framework for HS/DSS, the paper also illustrates, by way of an example, compensator/controller synthesis for the two schemes, together with their advantages and disadvantages. In doing this, both schemes are retained in their basic forms, that is, there are no additional control embellishments used in this work, such as delay compensation, adaptive control, or other advanced control methods. In order to maintain as much transparency as possible, use is made of well‐known classical control techniques. Common problems associated with the substructure testing technique are also investigated, including the effects of physical parameter uncertainty, pure delays in signals, and a ‘split‐mass’ in the substructure formulation. It is shown that, although the new formulation of controlled DSS requires more design effort than compensated‐HS, the advantages of DSS in terms of stability and robustness significantly outweigh this small disadvantage at the design stage. Copyright © 2016 John Wiley & Sons, Ltd.
Fuel Cell Modeling Strategic Roadmap: A Systematic Approach
Authors: Kompis C. , Malek K.
Published: August 2016

Polymer electrolyte fuel cells (PEFCs) are promising electrochemical devices for the direct conversion of chemical energy of a fuel into useful electrical work with vast applications in automotive, stationary, and autonomous power. It is widely recognized that progress in PEFC technology is a multi‐disciplinary challenge and hinges on Research and Development (R&D) breakthroughs in design, fabrication, and implementation of innovative materials, processes, and system optimization. Fuel cell modeling, in particular, has been the subject of intense research in the past two decades, as it is of great importance to design and process optimizations. Building upon the insights obtained in a European Collaborative Research Program, we present an analysis of fuel cell modeling R&D roadmap by focusing on technical and market attributes and the inter‐relations therein. The roadmap is driven by three distinct outcomes – alpha, beta and commercial versions, reflecting the maturity of the multi‐scale software. All roadmap entries are organized in layers, namely Market and Business; Services; Products; High Level Targets; Technology; Science; and Enablers and Resources. This study contributes to a much needed foundation for further planning of potential R&D and demonstration projects of fuel cells for automotive and other emerging sectors.
Identity and sociocultural change: Comparing young indigenous people in Chiapas who have different sociodemographic trajectories
Authors: Esteban‐Guitart Moisès , Perera Santi , Monreal‐Bosch Pilar , Bastiani José
Published: August 2016

One of the most commonly used distinctions in cross‐cultural studies is the one between individualism and collectivism. One of the criticisms levelled at this distinction is that it fails to incorporate the differences that may exist when comparing people from a rural context with little formal education to people from the same group who live in an urban context where formal education is the norm. Bearing in mind these sociodemographic factors, we have compared the self‐concepts among 104 young indigenous people in Chiapas (Mexico), having divided them into three groups: “rural‐traditional,” “rural–urban” and “urban.” These people's self‐concepts were analysed using a task that contrasts personal self‐concept with social self‐concept and a technique in which participants draw themselves along with the things and people they consider most important to them. The results reveal significant differences between the three groups. The personal categories are given a higher value in the “urban” group while the social categories score higher in the “rural‐traditional” group. Regarding the results of the indigenous self‐portraits, from the content analysis of the drawings, 16 categories emerged. These findings are discussed in the light of Greenfield's theory of social change and human development.
Observations on conducting whole‐cell patch clamping of the hERG cardiac K+ channel in pure human serum
Authors: Kang Jiesheng , Luo Yongyi , Searles Michelle , Rampe David
Published: August 2016

Abstract

Inhibition of the human ether‐a‐go‐go‐related gene (hERG) K+ channel by drugs leads to QT prolongation on the electrocardiogram and can result in serious cardiac arrhythmia. For this reason, screening of drugs on hERG is mandatory during the drug development process. Patch clamp electrophysiology in a defined physiological saline solution (PSS) represents the standard method for assaying drug effects on the channel. To make the assay more translatable to clinical studies, we have conducted whole‐cell patch clamping of hERG using pure human serum as the extracellular medium. Pure human serum had little effect on the hERG channel waveform or the current–voltage relationship when compared to PSS. hERG current recordings were highly stable in serum at room temperature, but prolonged recordings at the physiological temperature required prior heat inactivation of the serum. Compared to PSS, the IC50 values, conducted at room temperature, of the classic hERG blocking drugs cisapride, moxifloxacin, and terfenadine were shifted to the right by an extent predicted by their known plasma protein binding, but we did not detect any differences in IC50s between male and female serum. Total plasma levels of these drugs associated with clinical QT prolongation corresponded to small (<15%) inhibition of hERG current in pure serum suggesting that minor inhibition of the channel leads to observable pharmacodynamic effects. Conducting whole‐cell patch clamping of hERG in human serum has the potential to make the assay more translatable to clinical studies and improve its predictive value for safety testing. Copyright © 2016 John Wiley & Sons, Ltd.
Decomposition of Bicolored Square Arrays into Bichromatic Diagonals
Authors: Kotlar Dani , Ziv Ran
Published: August 2016

Let M be an array (), where each of its cells is colored in one of two colors. We give a necessary and sufficient condition for the existence of a partition of M into n diagonals, each containing at least one cell of each color. As a consequence, it follows that if each color appears in at least cells, then such a partition exists. The proof uses results on completion of partial Latin squares.
Global Mental Health in Our Own Backyard: An Unaccompanied Immigrant Child's Migration From El Salvador to New York City
Authors: Baily Charles D. R. , Henderson Schuyler W. , Tayler Rachel
Published: August 2016

There has been a recent surge in the number of children migrating to the United States without a parent. Despite their vulnerability to extreme adversity at every stage of their migration process, little is known about the psychosocial context and mental health needs of unaccompanied children. This article presents a case study of a 16‐year‐old Salvadoran boy who participated in a larger, mixed‐methods study on the psychosocial context, psychological presentation, and mental health service utilization of unaccompanied children living in New York pending their immigration cases. After the presentation of the case, different models for understanding the experiences and needs of unaccompanied children are discussed.
Potential biocontrol actinobacteria: Rhizospheric isolates from the Argentine Pampas lowlands legumes
Authors: Solans Mariana , Scervino Jose Martin , Messuti María Inés , Vobis Gernot , Wall Luis Gabriel
Published: August 2016

Control of fungal plant diseases by using naturally occurring non‐pathogenic microorganisms represents a promising approach to biocontrol agents. This study reports the isolation, characterization, and fungal antagonistic activity of actinobacteria from forage soils in the Flooding Pampa, Argentina. A total of 32 saprophytic strains of actinobacteria were obtained by different isolation methods from rhizospheric soil of Lotus tenuis growing in the Salado River Basin. Based on physiological traits, eight isolates were selected for their biocontrol‐related activities such as production of lytic extracellular enzymes, siderophores, hydrogen cyanide (HCN), and antagonistic activity against Cercospora sojina, Macrophomia phaseolina, Phomopsis sp., Fusarium oxysporum, and Fusarium verticilloides. These actinobacteria strains were characterized morphologically, physiologically, and identified by using molecular techniques. The characterization of biocontrol‐related activities in vitro showed positive results for exoprotease, phospholipase, fungal growth inhibition, and siderophore production. However, none of the strains was positive for the production of hydrogen cyanide (HCN). Streptomyces sp. MM140 presented the highest index for biocontrol, and appear to be promising pathogenic fungi biocontrol agents. These results show the potential capacity of actinobacteria isolated from forage soils in the Argentine Pampas lowlands as promising biocontrol agents, and their future agronomic applications.
Computational Approaches to the Chemical Equilibrium Constant in Protein‐ligand Binding
Authors: Montalvo‐Acosta Joel José , Cecchini Marco
Published: August 2016

The physiological role played by protein‐ligand recognition has motivated the development of several computational approaches to the ligand binding affinity. Some of them, termed rigorous, have a strong theoretical foundation but involve too much computation to be generally useful. Some others alleviate the computational burden by introducing strong approximations and/or empirical calibrations, which also limit their general use. Most importantly, there is no straightforward correlation between the predictive power and the level of approximation introduced. Here, we present a general framework for the quantitative interpretation of protein‐ligand binding based on statistical mechanics. Within this framework, we re‐derive self‐consistently the fundamental equations of some popular approaches to the binding constant and pinpoint the inherent approximations. Our analysis represents a first step towards the development of variants with optimum accuracy/efficiency ratio for each stage of the drug discovery pipeline.
An automatic method for generating carbon nanostructure atomistic models using hexagonal meshes with properly distributed defects
Authors: Shang Feifei , Zeng Zhen , Liu Jianfei , Chen Tingfei
Published: August 2016

Atomistic models, which are crucial for performing molecular dynamics simulations of carbon nanostructures, consist of virtual hexagonal meshes with defects properly distributed in the intersectional areas. Currently, atomistic models are created mostly by hand, which is a notably tedious and time‐consuming process. In this paper, we develop a method that produces atomistic models automatically. Because a hexagonal mesh and triangulation represent dual graphs, our work focuses on the creation of proper triangulation. The edge lengths of the triangulation should be compatible with the lengths of the C–C bonds, and vertices with valences other than 6 (due to the defects in the hexagonal mesh) should be properly arranged around the boundaries of the different components of a carbon nanostructure. Two techniques play important roles in our method: (1) sphere packing is used to place the nodes for triangulation that produces nearly constant edge lengths of the triangles and (2) the movement and editing of defects is used to control the number and positions of the defects. We subsequently develop a computer program based on this method that can create models much easier and faster than the current handwork method, thereby reducing the operation time significantly. Copyright © 2016 John Wiley & Sons, Ltd.
Comparison of second transplantation and donor lymphocyte infusion for donor mixed chimerism after allogeneic stem cell transplantation for nonmalignant diseases
Authors: Umeda Katsutsugu , Adachi Souichi , Tanaka Shiro , Miki Mizuka , Okada Keiko , Hashii Yoshiko , Inoue Masami , Cho Yuko , Koh Katsuyoshi , Goto Hiroaki , Kajiwara Ryosuke , Hyakuna Nobuyuki , Kato Koji , Morio Tomohiro , Yabe Hiromasa ,   on behalf of the Inherited Disease Working Group of the Japan Society for Hematopoietic Cell Transplantation
Published: August 2016

Background

Donor mixed chimerism (MC) is an increasing problem after hematopoietic stem cell transplantation (HSCT) for nonmalignant diseases.

Procedure

In this study, a self‐administered questionnaire was used to retrospectively compare efficacy and safety in 49 patients undergoing second HSCT (n = 13) or donor lymphocyte infusion (DLI; n = 36) as treatment for MC.

Results

The response rate to DLI of patients with secondary graft failure (GF) (25.0%) was significantly lower than that of patients without secondary GF (81.3%; P = 0.041). Among patients undergoing DLI, the rates of successful response were significantly higher in patients having at least 30% donor chimerism (94.1%) than in patients having less than 30% donor chimerism (61.1%; P = 0.041). Furthermore, the rates of successful response were significantly higher in patients receiving larger first or maximum doses of DLI. Sixteen (50.0%) of 32 patients without secondary GF attained complete chimerism after DLI. The cumulative incidence of grade II–IV acute graft‐versus‐host disease and cytopenia was 37.6 and 26.1%, respectively.

Conclusions

DLI yields promising response rates in most patients with higher donor chimerism levels, whereas second HSCT is more likely to benefit patients with lower donor chimerism levels.
Prenatal whole exome sequencing: the views of clinicians, scientists, genetic counsellors and patient representatives
Authors: Quinlan‐Jones Elizabeth , Kilby Mark D. , Greenfield Sheila , Parker Michael , McMullan Dominic , Hurles Matthew E. , Hillman Sarah C.
Published: August 2016

Objective

Focus groups were conducted with individuals involved in prenatal diagnosis to determine their opinions relating to whole exome sequencing in fetuses with structural anomalies.

Method

Five representatives of patient groups/charities (PRGs) and eight clinical professionals (CPs) participated. Three focus groups occurred (the two groups separately and then combined). Framework analysis was performed to elicit themes. A thematic coding frame was identified based on emerging themes.

Results

Seven main themes (consent, analysis, interpretation/reinterpretation of results, prenatal issues, uncertainty, incidental findings and information access) with subthemes emerged. The main themes were raised by both groups, apart from ‘analysis’, which was raised by CPs only. Some subthemes were raised by PRGs and CPs (with different perspectives). Others were raised either by PRGs or CPs, showing differences in patient/clinician agendas.

Conclusions

Prenatal consent for whole exome sequencing is not a ‘perfect’ process, but consent takers should be fully educated regarding the test. PRGs highlighted issues involving access to results, feeling that women want to know all information. PRGs also felt that patients want reinterpretation of results over time, whilst CPs felt that interpretation should be performed at the point of testing only. © 2016 John Wiley & Sons, Ltd.
Size‐controlled preparation of nanosoy for potential biomedical applications
Authors: Singh Surabhi , Gupta Bhuvanesh
Published: August 2016

Soy protein isolate nanoparticles (nanosoy) have significant applications in drug delivery, wound care systems and tissue engineering. We report an optimum technique named nanoprecipitation which enabled one‐step formation of near‐monodisperse nanosoy based on solvent displacement. Excellent control over protein aggregation was achieved, producing nanoparticles in the size range of 5–15 nm. The effect of various process parameters such as temperature, solvent/non‐solvent ratio, crosslinker content and type of surfactant on the particle size was investigated. The structural and morphological features were analysed using dynamic light scattering, X‐ray diffraction and high‐resolution transmission electron microscopy. The morphological examination indicated that the particles formed were spherical in shape and further reduction in the average particle diameter was achieved by reducing the temperature and solvent/non‐solvent ratio of the reaction medium. Surface charge and stability of nanosoy dispersions were analysed using zeta potential measurements. Further, ciprofloxacin release was monitored using nanosoy as a drug carrier. This technique provides an effective and straightforward approach offering considerable advantages in terms of economic, technical and environmental performance. © 2016 Society of Chemical Industry
Proteomic profiling of human plasma for cancer biomarker discovery
Authors: Huang Zhao , Ma Linguang , Huang Canhua , Li Qifu , Nice Edouard C.
Published: August 2016

Over the past decades, substantial advances have been made in both the early diagnosis and accurate prognosis of many cancers because of the impressive development of novel proteomic strategies. However, it remains difficult to standardize proteomic approaches. In addition, the heterogeneity of proteins in distinct tissues results in incomplete population of the whole proteome, which inevitably limits its clinical practice. As one of the most complex proteomes in the human body, the plasma proteome contains secreted proteins originating from multiple organs and tissues, making it a favorable matrix for comprehensive biomarker discovery. Here, we will discuss the roles of plasma proteome profiling in cancer biomarker discovery and validation, and highlight both the inherent advantages and disadvantages. Although several hurdles lay ahead, further advances in this technology will greatly increase our understanding of cancer biology, reveal new biomarkers and biomarker panels, and open a new avenue for more efficient early diagnosis and surveillance of cancer, leading toward personalized medicine.
Copper(I)‐catalyzed reaction of unsymmetrical alkyne with HB(pin): a density functional theory study
Authors: Li Yan
Published: August 2016

With the aid of density functional theory calculations, we have investigated the mechanism of copper(I)‐catalyzed reaction between unsymmetrical alkyne 1‐phenyl‐1‐butyne and HB(pin). The results of the density functional theory calculations show that the reaction mechanism involves syn‐addition of catalyst ([NHC]CuH) (NHC = N‐heterocyclic carbene) to 1‐phenyl‐1‐butyne to form the alkenyl copper intermediates 2a and 5a, and then intermediates 2a and 5a react with HB(pin) to give intermediates 3 (3a, 3b) and 6 (6a, 6b), and finally elimination of catalyst completes the catalytic cycle and yields the α‐product P1 and β‐product P2. We found that α‐product should be more favored than β‐product. The calculated results are consistent with the experimental findings. The present paper may provide a useful guide for understanding other analogous copper‐catalyzed hydroboration of unsymmetrical alkynes.
String consistency, heavy exotics, and the 750 GeV diphoton excess at the LHC
Authors: Cvetič Mirjam , Halverson James , Langacker Paul
Published: August 2016

String consistency conditions are stronger than anomaly cancellation and can require the addition of exotics in the visible sector. We study such exotics and demonstrate that they may account for the modest excess at 750 GeV in recent diphoton resonance searches performed by the ATLAS and CMS collaborations. In a previous analysis of type II MSSM D‐brane quivers we systematically added up to five exotics for the sake of satisfying string consistency conditions. Using this dataset, we demonstrate that 89780 of the 89964 quivers have exotics, 78155 of which include singlets that may couple to MSSM or exotic multiplets with coupling structures governed by U(1) symmetries that are often anomalous. We demonstrate that certain sets of exotics are far preferred over others and study the structure of singlet couplings to heavy exotics carrying standard model charges. Typical possibilities include singlets that may decay to vector‐like quarks and/or vector‐like leptons and subsequently to two photons. We show that a narrow width diphoton excess can be accounted for while evading existing bounds if multiple exotics are added, with vector‐like leptons of mass GeV and vector‐like quarks with masses up to ≃ 3 TeV. However, a large width , as suggested by the ATLAS data, cannot be easily accommodated in this framework. Renormalization group equations with GUT‐scale boundary conditions show that these supersymmetric models are perturbative and stable. Type IIA compactifications on toroidal orbifolds allow for O(10) Yukawa couplings in the ultraviolet. We also discuss the possibility of accounting for the diphoton excess in a low string scale scenario via the decay of string axions.
Charge transport in anodic TiO2 nanotubes studied by terahertz spectroscopy
Authors: Krbal Milos , Kucharik Jiri , Sopha Hanna , Nemec Hynek , Macak Jan M.
Published: August 2016

We report on the photoelectrochemical and terahertz measurements, of the charge transport properties of 1 μm thick self‐organized TiO2 nanotube layers, prepared by the anodization of titanium. We provide evidence regarding the complexity of electron transport, and dynamics in the nanotubes. Shortly after photoexcitation, charge mobilites in amorphous and crystalline nanotubes are similar, but still lower compared to the bulk anatase. The mobility subsequently decreases due to trapping‐detrapping processes. The recombination rate in anatase nanotubes is much slower than in the amorphous ones, enabling the material to reach an internal photon to electron conversion efficiency exceeding 60%.
The work function of hydrothermally synthesized UO2 and the implications for semiconductor device fabrication
Authors: Young Christopher , Petrosky James , Mann J. Matthew , Hunt Eric M. , Turner David , Kelly Tony
Published: August 2016

The photoelectric work function of nearly stoichiometric (111) and (100) hydrothermally grown UO2 was measured to be 6.28 ± 0.36 eV and 5.80 ± 0.36 eV, respectively. Candidate metals for electrical contacts are identified for both rectifying and non‐rectifying contacts based on work function, lattice compatibility, and electrical conductivity.