bluuebunny/crossref_metadata_2025 huggingface dataset:
Long‐Range Electrostatics‐Induced Two‐Proton Transfer Captured by Neutron Crystallography in an Enzyme Catalytic Site
Authors: Gerlits Oksana , Wymore Troy , Das Amit , Shen Chen‐Hsiang , Parks Jerry M. , Smith Jeremy C. , Weiss Kevin L. , Keen David A. , Blakeley Matthew P. , Louis John M. , Langan Paul , Weber Irene T. , Kovalevsky Andrey
Published: March 2016

Neutron crystallography was used to directly locate two protons before and after a pH‐induced two‐proton transfer between catalytic aspartic acid residues and the hydroxy group of the bound clinical drug darunavir, located in the catalytic site of enzyme HIV‐1 protease. The two‐proton transfer is triggered by electrostatic effects arising from protonation state changes of surface residues far from the active site. The mechanism and pH effect are supported by quantum mechanics/molecular mechanics (QM/MM) calculations. The low‐pH proton configuration in the catalytic site is deemed critical for the catalytic action of this enzyme and may apply more generally to other aspartic proteases. Neutrons therefore represent a superb probe to obtain structural details for proton transfer reactions in biological systems at a truly atomic level.
A Two‐Dimensional Zirconium Carbide by Selective Etching of Al3C3 from Nanolaminated Zr3Al3C5
Authors: Zhou Jie , Zha Xianhu , Chen Fan Y. , Ye Qun , Eklund Per , Du Shiyu , Huang Qing
Published: March 2016

The room‐temperature synthesis of a new two‐dimensional (2D) zirconium‐containing carbide, Zr3C2Tz MXene is presented. In contrast to traditional preparation of MXene, the layered ternary Zr3Al3C5 material instead of MAX phases is used as source under hydrofluoric acid treatment. The structural, mechanical, and electronic properties of the synthesized 2D carbide are investigated, combined with first‐principles density functional calculations. A comparative study on the structrual stability of our obtained 2D Zr3C2Tz and Ti3C2Tz MXenes at elevated temperatures is performed. The obtained 2D Zr3C2Tz exhibits relatively better ability to maintain 2D nature and strucural integrity compared to Ti‐based Mxene. The difference in structural stability under high temperature condition is explained by a theoretical investigation on binding energy.
Evolved Colloidosomes Undergoing Cell‐like Autonomous Shape Oscillations with Buckling
Authors: Tamate Ryota , Ueki Takeshi , Yoshida Ryo
Published: March 2016

In living systems, there are many autonomous and oscillatory phenomena to sustain life, such as heart contractions and breathing. At the microscopic level, oscillatory shape deformations of cells are often observed in dynamic behaviors during cell migration and morphogenesis. In many cases, oscillatory behaviors of cells are not simplistic but complex with diverse deformations. So far, we have succeeded in developing self‐oscillating polymers and gels, but complex oscillatory behaviors mimicking those of living cells have yet to be reproduced. Herein, we report a cell‐like hollow sphere composed of self‐oscillating microgels, that is, a colloidosome, that exhibits drastic shape oscillation in addition to swelling/deswelling oscillations driven by an oscillatory reaction. The resulting oscillatory profile waveform becomes markedly more complex than a conventional one. Especially for larger colloidosomes, multiple buckling and moving buckling points are observed to be analogous to cells.
Chemical Synthesis of Phosphorylated Histone H2A at Tyr57 Reveals Insight into the Inhibition Mode of the SAGA Deubiquitinating Module
Authors: Jbara Muhammad , Maity Suman Kumar , Morgan Michael , Wolberger Cynthia , Brik Ashraf
Published: March 2016

Monoubiquitination of histone H2B plays a central role in transcription activation and is required for downstream histone‐methylation events. Deubiquitination of H2B by the Spt‐Ada‐Gcn5 acetyltransferase (SAGA) coactivator complex is regulated by a recently discovered histone mark, phosphorylated H2AY57 (H2AY57p), which inhibits deubiquitination of H2B by the SAGA complex as well as restricting demethylation of H3 and increasing its acetylation. Evidence for the effect of H2AY57p, however, was indirect and was investigated in vivo by monitoring the effects of chemical inhibition of Tyr kinase CK2 or by mutating the phosphorylation site. We applied the total chemical synthesis of proteins to prepare H2AY57p efficiently and study the molecular details of this regulation. This analogue, together with semisynthetically prepared ubiquitinated H2B, enabled us to provide direct evidence for the cross‐talk between those two marks and the inhibition of SAGA activity by H2AY57p.
Exchange of Coordinated Solvent During Crystallization of a Metal–Organic Framework Observed by In Situ High‐Energy X‐ray Diffraction
Authors: Wu Yue , Breeze Matthew I. , Clarkson Guy J. , Millange Franck , O'Hare Dermot , Walton Richard I.
Published: March 2016

Using time‐resolved monochromatic high energy X‐ray diffraction, we present an in situ study of the solvothermal crystallisation of a new MOF [Yb2(BDC)3(DMF)2]⋅H2O (BDC=benzene‐1,4‐dicarboxylate and DMF=N,N‐dimethylformamide) under solvothermal conditions, from mixed water/DMF solvent. Analysis of high resolution powder patterns obtained reveals an evolution of lattice parameters and electron density during the crystallisation process and Rietveld analysis shows that this is due to a gradual topochemical replacement of coordinated solvent molecules. The water initially coordinated to Yb3+ is replaced by DMF as the reaction progresses.
Desilylation‐Activated Propargylic Transformation: Enantioselective Copper‐Catalyzed [3+2] Cycloaddition of Propargylic Esters with β‐Naphthol or Phenol Derivatives
Authors: Shao Long , Wang Ya‐Hui , Zhang De‐Yang , Xu Jie , Hu Xiang‐Ping
Published: March 2016

A copper‐catalyzed asymmetric [3+2] cycloaddition of 3‐trimethylsilylpropargylic esters with either β‐naphthols or electron‐rich phenols has been realized and proceeds by a desilylation‐activated process. Under the catalysis of Cu(OAc)2⋅H2O in combination with a structurally optimized ketimine P,N,N‐ligand, a wide range of optically active 1,2‐dihydronaphtho[2,1‐b]furans or 2,3‐dihydrobenzofurans were obtained in good yields and with high enantioselectivities (up to 96 % ee). This represents the first desilylation‐activated catalytic asymmetric propargylic transformation.
A Bio‐Inspired, Heavy‐Metal‐Free, Dual‐Electrolyte Liquid Battery towards Sustainable Energy Storage
Authors: Ding Yu , Yu Guihua
Published: March 2016

Wide‐scale exploitation of renewable energy requires low‐cost efficient energy storage devices. The use of metal‐free, inexpensive redox‐active organic materials represents a promising direction for environmental‐friendly, cost‐effective sustainable energy storage. To this end, a liquid battery is designed using hydroquinone (H2BQ) aqueous solution as catholyte and graphite in aprotic electrolyte as anode. The working potential can reach 3.4 V, with specific capacity of 395 mA h g−1 and stable capacity retention about 99.7 % per cycle. Such high potential and capacity is achieved using only C, H and O atoms as building blocks for redox species, and the replacement of Li metal with graphite anode can circumvent potential safety issues. As H2BQ can be extracted from biomass directly and its redox reaction mimics the bio‐electrochemical process of quinones in nature, using such a bio‐inspired organic compound in batteries enables access to greener and more sustainable energy‐storage technology.
Nanomechanical study of polymer‐polymer thin film interface under applied service conditions
Authors: Mallikarjunachari G. , Pijush Ghosh
Published: March 2016

Single layer and multilayer polymer thin film coating on polymer substrate are gaining significant importance in different industries. The quantitative and qualitative estimation of interface response for thin film coating under different service conditions is significantly important from the perspective of modeling and designing novel materials. However, to characterize an interface between the soft polymer layer and soft polymer substrate is challenging because of the confinement effect, surface roughness, the viscoelastic nature of the polymers involved, and most importantly, the comparable mechanical properties of soft polymeric film and polymer substrate. Nanoindentation technique was applied in this work to find out the mechanical response of thin film PMMA (100–200 nm) and Epoxy interfaces of different interfacial strengths. Interfaces of different strengths were obtained by exposing the film‐substrate system to different service conditions. It has been observed from this study that pile‐up plays a major role in finding out the mechanical response of the interfaces of different strengths. The hardness was observed to increase as the interfacial strength reduces. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43532.
Facile preparation and separation performances of cellulose nanofibrous membranes
Authors: Soyekwo Faizal , Zhang Qiu Gen , Lin Xiao Chen , Wu Xin Mei , Zhu Ai Mei , Liu Qing Lin
Published: March 2016

Ultrafiltration (UF) is a size selective pressure‐driven membrane separation process increasingly required for high efficient water treatment and suspended solids removal in many industrial applications. This study examined the morphology of as‐prepared cellulose nanofibers and then utilized the nanofibers dispersion to fabricate nanofibrous nanoporous membranes with potential wide applications in various fields including water treatment. The nanofibers were prepared using a simple and powerful mechanical high intensity ultrasonication following a pre‐chemical treatment of α‐cellulose. The cellulose nanofibers’ morphology, crystallinity, and yield were found to be influenced by pre‐chemical treatment. Cellulose nanofibrous membranes were fabricated from cellulose nanofibers dispersion on a porous support. A nanoporous structure with an extensive interconnected network of fine cellulose nanofibers was formed on the support substrate. The resulting membranes exhibited typical and high‐efficient UF performances with high water fluxes of up to 2.75 103 L/m2/h/bar. The membranes also displayed high rejections for ferritin and 10 nm gold nanoparticles with a reactive surface area capable of rapidly decolorizing methylene blue from its aqueous solution. © 2016 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2016, 133, 43544.
Pigtail catheter “propping” for MitraClip percutaneous transcatheter mitral valve repair
Authors: Sandhu Kully , Butler Robert , Large Adrian
Published: March 2016

In recent years percutaneous therapy has emerged as a feasible and effective option for the treatment of mitral regurgitation, particularly in cases where the risks of conventional cardiac surgery are prohibitively high. To date the most widely used percutaneous approach is beating heart, edge‐to‐edge repair with the MitraClip device (Abbott Vascular‐Structural Heart, Menlo Park, CA). The technique requires simultaneous grasping and approximation of both mitral valve leaflets prior to securing and releasing the clip. However, this may be technically challenging or indeed impossible in patients with failure of coaptation, particularly when there is a large coaptation gap. We present an approach for overcoming this relatively common obstacle based on “propping” the anterior mitral valve leaflet toward its posterior counterpart with a diagnostic pigtail catheter to reduce the coaptation gap and to allow grasping of both leaflets without difficulty. © 2016 Wiley Periodicals, Inc.
Nitrogen‐Doped Graphene Quantum Dots Anchored on Thermally Reduced Graphene Oxide as an Electrocatalyst for the Oxygen Reduction Reaction
Authors: Zhang Bo , Xiao Chunhui , Xiang Yang , Dong Bitao , Ding Shujiang , Tang Yuhai
Published: March 2016

Nitrogen‐doped graphene quantum dots (N‐GQDs) with a size of 2.5–8.5 nm are ultra‐uniformly grown in situ on thermally reduced graphene oxide (rGO) and are different from those catalysts fabricated by adding pre‐prepared GQDs artificially. N‐GQD/rGO shows catalytic activity for the oxygen reduction reaction, which is comparable to that of the Pt/C catalyst, but with better durability and a higher tolerance to the methanol crossover effect. This method might extend the application of N‐GQDs in electrocatalysis.
Detection of Sulfatase Enzyme Activity with a CatalyCEST MRI Contrast Agent
Authors: Sinharay Sanhita , Fernández‐Cuervo Gabriela , Acfalle Jasmine P. , Pagel Mark D.
Published: March 2016

A chemical exchange saturation transfer (CEST) MRI contrast agent has been developed that detects sulfatase enzyme activity. The agent produces a CEST signal at δ=5.0 ppm before enzyme activity, and a second CEST signal appears at δ=9.0 ppm after the enzyme cleaves a sulfate group from the agent. The comparison of the two signals improved detection of sulfatase activity.
Alkaline Earth–Olefin Complexes with Secondary Interactions
Authors: Roşca Sorin‐Claudiu , Dinoi Chiara , Caytan Elsa , Dorcet Vincent , Etienne Michel , Carpentier Jean‐François , Sarazin Yann
Published: March 2016

Strontium and calcium (alkaline earth: Ae) olefin complexes stabilised by secondary Ae⋅⋅⋅F−C and β‐agostic Ae⋅⋅⋅H−Si interactions are presented. Olefin coordination onto the alkaline earths is plain in the solid state, and it is thermodynamically favoured over the coordination of THF. The existence of the Ae⋅⋅⋅olefin interactions is corroborated by solution NMR data and DFT computations. The coordination mode of the olefin varies with steric effects and, if enforced, olefin dissociation can be compensated by the other non‐covalent interactions, as supported by DFT computations.
Reservoir impairment by asphaltenes: A critical review
Authors: Eskin Dmitry , Mohammadzadeh Omid , Akbarzadeh Kamran , Taylor Shawn David , Ratulowski John
Published: March 2016

Precipitation and deposition of asphaltenes and other organic substances in formation rock causes formation damage and reduces effective hydrocarbon mobility, which can result in significant production losses. The development of reliable experimental, analytical, and modelling methods improves the understanding of asphaltene‐induced formation damage and provides tools for preventing and/or controlling formation damage due to asphaltenes in oil‐bearing formations. To make further advancements in understanding asphaltene impairment, it is important to analyze the current state of technology and research in this area. In addition to analyses of known experimental data and models of reservoir impairment by asphaltenes, prospective directions of future research in this area are also suggested.
The cancer registry as a cancer‐control tool
Authors: Brawley Otis W.
Published: March 2016

Today's cancer registry is a powerful public health and cancer control tool. Assessment can provide insight into practice patterns and the effectiveness of interventions. The future of the cancer registry involves acquisition of big data from the electronic medical record. The challenge will be to use the technology wisely, because privacy concerns already are threatening some registries.
Rigid, Bistable Molecular Shuttles Combining T‐shaped Benzimidazolium and Y‐shaped Imidazolium Recognition Sites
Authors: Farahani Nasim , Zhu Kelong , Loeb Stephen J.
Published: March 2016

Two different recognition sites, one a T‐shaped 2,4,7‐triphenylbenzimidazolium and the other a Y‐shaped 2,4,5‐triphenylimidazolium are combined to construct a rigid bistable [2]rotaxane molecular shuttle on which the position of a 24‐membered crown ether macrocycle can be controlled by acid–base chemistry. Molecular shuttling in both the neutral and dicationic versions were studied.
Phthalocyanine–Gold Nanoparticle Hybrids: Modulating Quenching with a Silica Matrix Shell.
Authors: Baldovi Herme G. , Blas‐Ferrando Vicente M. , Ortiz Javier , Garcia Hermenegildo , Fernández‐Lázaro Fernando , Sastre‐Santos Ángela
Published: March 2016

An asymmetrically substituted zinc phthalocyanine (ZnPc) with a terminal dithiolane group is anchored to Au nanoparticles (NPs) directly or through an interposed silica matrix. Transient absorption spectroscopy shows that the quenching of the ZnPc excited state by AuNPs occurs through a photoinduced electron transfer, the efficiency of which is modulated by the presence of the insulating silica matrix.
Utilization of G‐Quadruplex‐Forming Aptamers for the Construction of Luminescence Sensing Platforms
Authors: Ma Dik‐Lung , Wang Wanhe , Mao Zhifeng , Kang Tian‐Shu , Han Quan‐Bin , Chan Philip Wai Hong , Leung Chung‐Hang
Published: March 2016

Aptamers are nucleic acid sequences that can recognize and bind to analytes with high affinity and selectivity. Intriguingly, a number of aptamers undergo a conformational change within the G‐quadruplex motif upon ligand binding. This Minireview aims to highlight interesting examples of luminescent G‐quadruplex aptamer‐based probes that have been developed in recent years. Various mechanisms and sensing modes are described, and the outlook and future directions of this field are also discussed.
Fine needle aspiration cytology of cystic primary adult granulosa cell tumor of the ovary: Potential diagnostic pitfalls with other cystic ovarian lesions
Authors: Harbhajanka Aparna , lamzabi Ihab , Jain Richa , Syed Sahr , Murro Diana , Gattuso Paolo
Published: March 2016

Introduction

Fine needle aspiration(FNA) of cystic adult granulosa cell tumors(CAGCT) has been sporadically reported in the literature. We undertook a retrospective study to further elucidate the cytologic features on FNA material in order to avoid possible misinterpretation with other primary tumors of ovary.

Materials and Methods

During 1992 and 2014, FNA of five cases of CAGCT were recorded.

Results

The patient's age ranged from 28 to 62 years. One was bilateral and all cases involved right side of ovary. The size of tumor was 5.5 to 10 cm. FNA of the five CAGCT show similar cytologic features except one case. Four cases contained a background composed of histiocytic cells and debris material. The tumor cells were small with round to oval nuclei and fine chromatin pattern, inconspicuous nucleoli, scanty cytoplasm with rare intranuclear longitudinal grooves. Tumor cells were arranged in small groups as well as single cells were appreciated some of which were deprived of cytoplasm. Microfollicular or rosette pattern were vague, some of which contain amorphous material resembling Call‐Exner bodies. In addition, two cases also showed prominent papillary component and one of which was misdiagnosed for serous papillary carcinoma. All five cases were surgically resected and CAGCT was confirmed.

Conclusions

FNA of CAGCT of ovary can be a challenging diagnosis as classic cytologic features may not be present and can be confused with benign follicular cyst especially when the ultrasound study favor benign cystic lesion. Rarely this tumor may show prominent papillary component and can be confused for a more clinically aggressive tumor such as papillary serous carcinoma. Diagn. Cytopathol. 2016;44:461–465. © 2016 Wiley Periodicals, Inc.
Cytologic separation of branchial cleft cyst from metastatic cystic squamous cell carcinoma: A multivariate analysis of nineteen cytomorphologic features
Authors: Layfield Lester J. , Esebua Magda , Schmidt Robert L.
Published: March 2016

Background

The separation of branchial cleft cysts from metastatic cystic squamous cell carcinomas in adults can be clinically and cytologically challenging. Diagnostic accuracy for separation is reported to be as low as 75% prompting some authors to recommend frozen section evaluation of suspected branchial cleft cysts before resection. We evaluated 19 cytologic features to determine which were useful in this distinction.

Methods

Thirty‐three cases (21 squamous carcinoma and 12 branchial cysts) of histologically confirmed cystic lesions of the lateral neck were graded for the presence or absence of 19 cytologic features by two cytopathologists. The cytologic features were analyzed for agreement between observers and underwent multivariate analysis for correlation with the diagnosis of carcinoma.

Results

Interobserver agreement was greatest for increased nuclear/cytoplasmic (N/C) ratio, pyknotic nuclei, and irregular nuclear membranes. Recursive partitioning analysis showed increased N/C ratio, small clusters of cells, and irregular nuclear membranes were the best discriminators.

Conclusion

The distinction of branchial cleft cysts from cystic squamous cell carcinoma is cytologically difficult. Both digital image analysis and p16 testing have been suggested as aids in this separation, but analysis of cytologic features remains the main method for diagnosis. In an analysis of 19 cytologic features, we found that high nuclear cytoplasmic ratio, irregular nuclear membranes, and small cell clusters were most helpful in their distinction. Diagn. Cytopathol. 2016;44:561–567. © 2016 Wiley Periodicals, Inc.
Developmental aspects of the direct‐developing frog Adelophryne maranguapensis
Authors: de Lima Ana V.P. , Reis Alice H. , Amado Nathália G. , Cassiano‐Lima Daniel , Borges‐Nojosa Diva M. , Oriá Reinaldo B. , Abreu José G.
Published: March 2016

Direct development in amphibians is characterized by the loss of aquatic breeding. The anuran Adelophryne maranguapensis is one example of a species with direct development, and it is endemic to the state of Ceará, Brazil. Detailed morphological features of A. maranguapensis embryos and the stages of sequential development have not been described before. Here, we analyzed all available genetic sequence tags in A. maranguapensis (tyr exon 1, pomc and rag1) and compared them with sequences from other species of Adelophryne frogs. We describe the A. maranguapensis reproductive tract and embryonic body development, with a focus on the limbs, tail, ciliated cells of the skin, and the egg tooth, which were analyzed using scanning electron microscopy. Histological analyses revealed ovaries containing oocytes surrounded by follicular cells, displaying large nuclei with nucleoli inside. Early in development, the body is unpigmented, and the neural tube forms dorsally to the yolk vesicle, typical of a direct‐developing frog embryo. The hindlimbs develop earlier than the forelimbs. Ciliated cells are abundant during the early stages of skin development and are less common during later stages. The egg tooth appears in the later stages and develops as a keratinized microridge structure. The developmental profile of A. maranguapensis presented here will contribute to our understanding of the direct‐development model and may help preserve this endangered native Brazilian frog. genesis 54:257–271, 2016. © 2016 Wiley Periodicals, Inc.
A Family of Homo‐ and Heteroscorpionate Ligands: Applications to Bioinorganic Chemistry
Authors: Carrano Carl J.
Published: March 2016

In this brief review we focus on a few examples of how a family of homo‐ and heteroscorpionate ligands allow us to examine how changes in reactivity, structure, or physical/chemical properties around biologically interesting N2X coordinated metal centers vary as a function of donor atom, charge, hydrophobicity, hydrogen bonding, etc., in a way previously unavailable. Such a family of ligands is the bioinorganic chemists answer to site‐directed mutagenesis. Here we focus on two bioinorganic examples i.e. models for molybdoenzymes and zinc metalloproteins.
Rh2(esp)2: An Efficient Catalyst for O–H Insertion Reactions of Carboxylic Acids into Acceptor/Acceptor Diazo Compounds
Authors: Hunter Arianne C. , Chinthapally Kiran , Sharma Indrajeet
Published: March 2016

Rh2(esp)2 has been identified as a highly efficient catalyst for O–H insertion of carboxylic acids into acceptor/acceptor diazo compounds. The insertion reaction proceeds in CH2Cl2 within minutes at room temperature in excellent yields and accommodates carboxylic acids having varying functionalities including amino acids, free alcoholic and phenolic O–H, indole N–H, alkenes, alkynes, and substituted aromatics. In addition, the reaction tolerates a broad range of stable diazo compounds carrying diverse functional groups.
Annotation of porcine milk oligosaccharides throughout lactation by hydrophilic interaction chromatography coupled with quadruple time of flight tandem mass spectrometry
Authors: Cheng Likun , Xu Qingsong , Yang Kaiyun , He Jun , Chen Daiwen , Du Yuguang , Yin Heng
Published: March 2016

Swine plays a significant role in livestock agriculture. As a linkage between sows and piglets, porcine milk is crucial for the health of newborn piglets. Free milk oligosaccharides (MOs) are kinds of important bioactive substance in mammalian milk. However, little is known about the component and function of the porcine MOs (PMOs). In this study, a hydrophilic interaction chromatography coupled with quadrupole time‐of‐flight tandem mass spectrometry (HILIC‐Q‐TOF MS) system was utilized to profile the PMOs. Forty‐one distinct PMOs were identified totally in three breeds of sows. The PMOs were highly sialylated (∼30%) and fucosylated PMOs (1–3%) were monitored at low levels. The most abundant oligosaccharide was a trisaccharide (Hex3) which contributed over 50% of the total PMOs abundance. Comparison of free MOs profiles revealed heterogeneity and variations among individuals and different breeds of sows, however, the MOs variation among breeds was limited even minor than that among individuals. Furthermore, most PMOs contents were higher in colostrum and decreased in the early lactation, but a few kinds increased at last. Different oligosaccharides had different patterns during lactation. Overall, these observations showed a more detailed PMOs library and would contribute to the exploration of influence of PMOs on piglets’ health.
Sorption of perfluorooctanoate onto cyanobacteria from the eutrophic lake: effects of pH, heavy metals, and phosphate
Authors: Li Ying , Yang Chunman , Bao Yijun , Ma Xueru , Lu Guanghua
Published: March 2016

The sorption of perfluorooctanoate (PFOA) onto cyanobacterial biomass is critical to understand its subsequent transport and fate in aqueous environments, but the sorption mechanisms remain largely unknown. This study aimed to investigate the influences of pH, heavy metals, and phosphate on the sorption of PFOA onto cyanobacterial biomass. Results showed that an increase in pH led to a decrease in PFOA sorption, which may be due to electrostatic repulsion. PFOA sorption first decreased, then gradually increased and surpassed the blank in the presence of Pb2+. However, PFOA sorption was suppressed in the presence of Cu2+, Cd2+, and
. The possible mechanisms behind the impacts of pH, heavy metals and phosphate on PFOA sorption were also investigated using Ultraviolet‐visible (UV‐Vis) and Fourier transform infrared (FTIR) spectra. FTIR spectra analysis of the biomass suggested that heavy metal ions can complex with functional groups on the surface of cyanobacteria. Phosphate sorption blocked some of the available sorption sites on the surface of cyanobacteria, which contributed to the decrease in PFOA sorption. © 2016 American Institute of Chemical Engineers Environ Prog, 35: 1317–1323, 2016
Univariate time series based radial basis function neural network modeling of air quality inside a public transportation bus using available software
Authors: Kadiyala Akhil , Kumar Ashok
Published: March 2016

Modern indoor air quality (IAQ) management plans integrate the use of valid air quality models that accurately predict the dynamics of air quality variations within a considered environment. With rapid advancements in the field of computer sciences that helped improve the capabilities of computational resources and the availability of a wide‐ranging spectrum of methodologies that address different aspects of the nonlinearity in a multi‐dimensional information domain, there is ample scope for environmental professionals to develop and use hybrid IAQ models. This software review paper presents one such methodology that combines the use of the univariate time series and the radial basis function neural network methods in the development and evaluation of univariate time series based radial basis function neural network hybrid IAQ models for the monitored contaminants of carbon dioxide and carbon monoxide inside a public transportation bus using available software. © 2016 American Institute of Chemical Engineers Environ Prog, 35: 320–324, 2016
Wind tunnel investigation of horizontal and vertical sand fluxes of ascending and descending sand particles in aeolian sand transport
Authors: Kang Liqiang , Zou Xueyong , Zhao Guodan , Zhang Chunlai , Cheng Hong
Published: March 2016

The horizontal and vertical sand mass fluxes in aeolian sand transport are investigated in a wind tunnel by PTV (particle tracking velocimetry). According to the particle velocity and volume fraction of each individual particle from PTV images, the total horizontal sand mass flux, the horizontal mass fluxes of ascending and descending sand particles, and upward and downward vertical sand fluxes are analyzed. The results show that the horizontal mass fluxes of ascending and descending sand particles generally decrease with the increase of height and can be described by an exponential function above about 0.03 m height. At the same friction velocity, the decay heights of the total horizontal sand mass flux and the horizontal mass fluxes of ascending and descending sand particles are very similar. The proportion of horizontal mass flux of ascending sand particles is generally about 0.3–0.42, this means the horizontal mass flux of descending sand particles makes an important contribution to the total horizontal sand mass flux. Both the upward and downward vertical sand mass fluxes generally decrease with height and they are approximately equal at the same height and friction velocity. The relation between upward (or downward) vertical sand mass flux and horizontal sand mass flux can be described by a power function. The present study is used to help understand the transport of ascending and descending sand particles. Copyright © 2016 John Wiley & Sons, Ltd.
Using Fourier transform infrared spectroscopy to determine toxic gases in fires with lithium‐ion batteries
Authors: Andersson Petra , Blomqvist Per , Lorén Anders , Larsson Fredrik
Published: March 2016

Batteries, in particular lithium‐ion (Li‐ion) batteries, are seen as an alternative to fossil fuels in the automotive sector. Li‐ion batteries, however, have some safety issues including possible emissions of toxic fluorine‐containing compounds during fire and other abuse situations. This paper demonstrates the possibilities to use the Fourier transform infrared technique to assess some of the most important compounds, including hydrogen fluoride and the far less often measured POF3 and PF5. The study is conducted in the cone calorimeter with different solvents used in Li‐ion batteries. The measurements show that, in addition to hydrogen fluoride, with a known high toxicity, POF3 is emitted and can be quantified using Fourier transform infrared. Copyright © 2016 John Wiley & Sons, Ltd.
Characterization of inflammatory markers and transcriptome profiles of differentially activated embryonic stem cell‐derived microglia
Authors: Beins Eva , Ulas Thomas , Ternes Svenja , Neumann Harald , Schultze Joachim L. , Zimmer Andreas
Published: March 2016

Microglia, the immune cells of the CNS, are highly adaptive cells that can acquire different pro‐ and anti‐inflammatory activation states with distinct functions in CNS homeostasis and pathologies. To study microglial function in vitro, primary microglia or immortalized cell lines are commonly used. An alternative to these cells are embryonic stem cell‐derived microglia (ESdM). ESdM have previously been shown to be very similar to primary microglia in terms of expression profiles and surface molecules. In this study, ESdM and primary microglia were treated with different inflammatory stimulants to analyze their ability to adopt different activation states. Using quantitative real‐time PCR, comparative transcriptomics, ELISA, and flow cytometry, we found that different activation states can be induced in ESdM, which are similar to those found in primary microglia. These states are characterized by specific sets of inflammatory marker molecules and differential transcriptome signatures. Our results show that ESdM are a valuable alternative cell model to study microglial functions and neuroinflammatory mechanisms. GLIA 2016;64:1007–1020
Careful selection of steaming and attrition conditions during thermo‐mechanical pretreatment can increase enzymatic conversion of softwood
Authors: Lloyd John A , Murton Karl D , Newman Roger H , Suckling Ian D , Vaidya Alankar A
Published: March 2016

Background

An efficient pretreatment for softwoods prior to enzyme hydrolysis is pressurised steaming of the chips with successive attrition by disc refining and ball milling following removal of some hemicelluloses in a compression screw. For the process to be economical, thermal and mechanical energy inputs need to minimised and sugar yield maximised, so the aim of this study was to improve understanding of the behaviour of fibres during each stage of the pretreatment.

Results

Radiata pine wood chips were treated with steam at 173°C for between 3 and 144 min. The responses to refining and ball milling in terms of particle size reduction and sugar yield improved gradually as steaming time was increased to 36 min, but then an abrupt change in behaviour occurred resulting in more small particles during refining and much faster response to ball milling. This point coincides with an increase in cellulose degradation and fibre embrittlement. However, this higher steaming severity did not necessarily give highest sugar yields during saccharification as it limits the amount of energy that can be usefully applied during ball milling.

Conclusions

The results from this study can be utilised for optimisation of the pretreatment of softwoods like radiata pine. While effective in delivering high sugar yields, the steaming/refining/ball milling pretreatment is quite energy intensive but the results of this study show that significant savings in overall energy are possible by optimising relative energy inputs to the steaming and ball milling stages. © 2016 Society of Chemical Industry
Transitional Justice, Gender Programming, and the UNSCR 1325: African Context and the Case of Kenya
Authors: Hellsten Sirkku K.
Published: March 2016

The article examines the implementation of UNSCR 1325 ‘Women, Peace, and Security’ within the framework of post‐colonial feminism. The author argues that in current international development co‐operation, there is a need for deeper understanding of the complex, context‐relevant social and political power structures and processes that prevent gender programming from enhancing gender justice. As an empirical case study the article discusses the challenges that the implementation of the UNSCR 1325 has been facing in Kenya. © 2016 UNU‐WIDER. Journal of International Development published by John Wiley & Sons, Ltd.
Association between cytokine gene polymorphisms and outcome of hepatitis B virus infection in southern Brazil
Authors: Gusatti Carolina de Souza , Costi Cintia , de Medeiros Rúbia Marília , Halon Maria Laura , Grandi Tarciana , Medeiros Arlete Ferrari Rech , da Silva Cláudia Maria Dornelles , Rodenbusch Rodrigo , Silva Márcia Susana Nunes , Niel Christian , Rossetti Maria Lucia Rosa
Published: March 2016

A number of studies have demonstrated associations between cytokine gene polymorphisms and outcome of hepatitis B virus (HBV) infection. However, no general consensus has been reached, possibly due to differences between ethnic groups. In this study, 345 individuals living in southern Brazil, including 196 chronic HBV carriers and 149 subjects who had spontaneously recovered from acute infection, were enrolled to evaluate the influence of cytokine gene polymorphisms on the outcome of HBV infection. Most participants were of European descent. Genotyping of IL2‐330 G/T, IL4‐589C/T, IL6‐174 G/C, IL10‐592C/A, IL10‐1082 A/G, IL17A‐197 G/A, IL17A‐692 T/C, TNF‐α‐238 G/A, and TNF‐α‐308 G/A single nucleotide polymorphisms was performed by using the minisequencing (single base extension) method. By multivariable analysis, a statistically significant association was found between genotypic profile AA + GA in TNF‐α‐308 and chronic HBV infection (OR, 1.82; 95%CI, 1.01–3.27; P = 0.046). In southern Brazil, the carriers of the −308A allele in the TNF‐α gene promoter have a moderately higher risk of becoming chronic carriers in case of HBV infection. In addition, patients with chronic active hepatitis B (n = 60) exhibited a decreased frequency (3.3%) of the TNF‐238A allele when compared to that (14.8%) found among asymptomatic HBV carriers (n = 136), suggesting that this could be a protective factor against liver injury (OR, 0.17; 95%CI, 0.04–0.076; P = 0.023). J. Med. Virol. 88:1759–1766, 2016. © 2016 Wiley Periodicals, Inc.
Identification of waste cooking oil and vegetable oil via Raman spectroscopy
Authors: Huang Furong , Li Yuanpeng , Guo Huixian , Xu Jie , Chen Zhe , Zhang Jun , Wang Yong
Published: March 2016

This paper made a qualitative identification of ordinary vegetable oil and waste cooking oil based on Raman spectroscopy. Raman spectra of 73 samples of four varieties oil were acquired through the portable Raman spectrometer. Then, a partial least squares discriminant analysis (PLS‐DA) model and a discrimination model based on characteristic wave band ratio were established. A classification variable model of olive oil, peanut oil, corn oil and waste cooking oil that was established through the PLS‐DA model could identify waste cooking oil accurately from vegetable oils. The identification model established based on selection of waveband characteristics and intensity ratio of different Raman spectrum characteristic peaks could distinguish vegetable oils from waste cooking oil accurately. Research results demonstrated that both ratio method and PLS‐DA could identify waste cooking oil samples accurately. The identification model based on characteristic waveband ratio is simpler than PLS‐DA model. It is widely applicable to identification of waste cooking oil. Copyright © 2016 John Wiley & Sons, Ltd.
The importance of margins in head and neck cancer
Authors: Baddour Harry Michael , Magliocca Kelly R. , Chen Amy Y.
Published: March 2016

An estimated 200,000 deaths each year worldwide are due to cancer of the head and neck, mostly mucosal squamous cell carcinoma and nonmelanoma skin cancer. The status of surgical margins is important for prognosis and need for adjuvant therapy. We will discuss how margin status impacts outcomes and therapy, and the conundrum of determining margin status.J. Surg. Oncol. 2016;113:248–255. © 2015 Wiley Periodicals, Inc.
From the podium to the boardroom: Encouraging gender parity in scholarly publishing
Authors: Kane Lauren , Meadows Alice
Published: March 2016

Key points

Despite their nearly three-fifths industry majority, women trail men in key leadership positions, occupying about one-third of CEO positions, and one-fifth of Board chairs.

Speaking at industry conferences is key to professional development and to consideration for senior leadership positions.

An analysis of seven major scholarly publishing conferences held in 2015 showed an average gender split of 63% male to 37% female speakers, with nearly two-thirds of all keynote addresses given by men.

To correct for this disparity, the authors propose three distinct challenges, to include a potential accreditation for conferences that prioritise diversity.
Integrated all‐optical switch with 10 ps time resolution enabled by ALD
Authors: Moille Gregory , Combrié Sylvain , Morgenroth Laurence , Lehoucq Gaëlle , Neuilly François , Hu Bowen , Decoster Didier , de Rossi Alfredo
Published: March 2016

Abstract The potential of GaAs‐based photonic crystals for fast all‐optical switching in the telecom spectral range is exploited by controlling the surface recombination and, thereby, the carrier relaxation dynamics. The structure is entirely coated with a layer of aluminium oxide using atomic layer deposition. This results in a carrier lifetime of about 10 ps, as determined by spectrally resolved pump–probe measurements. We show that the nonlinear response of the resonator is optimized when it is excited with a few‐picoseconds pulse. This dynamics is perfectly captured by our model accounting for the carrier diffusion with an impulse response function. Moreover, the suppression of photo‐induced oxidation is revealed to be crucial to demonstrate all‐optical operation at GHz rates with average coupled pump power of 0.5 mW (hence 100 fJ/bit). The switching window is 12 ps wide (1/e), as resolved by homodyne pump–probe measurements. The devices respond to a sequence of closely spaced pump pulses demonstrating a gating window close to 10 ps, with a contrast as high as 7 dB.

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Clinical monitoring of smooth surface enamel lesions using CP‐OCT during nonsurgical intervention
Authors: Chan Kenneth H. , Tom Henry , Lee Robert C. , Kang Hobin , Simon Jacob C. , Staninec Michal , Darling Cynthia L. , Pelzner Roger B. , Fried Daniel
Published: March 2016

Introduction

Studies have shown that cross‐polarization optical coherence tomography (CP‐OCT) can be used to image the internal structure of carious lesions in vivo. The objective of this study was to show that CP‐OCT can be used to monitor changes in the internal structure of early active carious lesions on smooth surfaces during non‐surgical intervention with fluoride.

Methods

Lesions on the smooth surfaces of teeth were imaged using CP‐OCT on 17 test subjects. Lesion structural changes were monitored during fluoride varnish application at 6‐week intervals for 30 weeks. The lesion depth (Ld), integrated reflectivity (ΔR), and surface zone thickness (Sz) were monitored.

Results

A distinct transparent surface zone that may be indicative of lesion arrestment was visible in CP‐OCT images on 62/63 lesions before application of fluoride varnish. The lesion depth and internal structure were resolved for all the lesions. The overall change in the mean values for Ld, ΔR, and Sz for all the lesions was minimal and was not significant during the study (P > 0.05). Only 5/63 lesions manifested a significant increase in Sz during intervention.

Conclusion

Even though it appears that most of the lesions manifested little change with fluoride varnish application in the 30 weeks of the study, CP‐OCT was able to measure the depth and internal structure of all the lesions including the thickness of the important transparent surface zone located at the surface of the lesions, indicating that CP‐OCT is ideally suited for monitoring lesion severity in vivo. Lasers Surg. Med. 48:915–923, 2016. © 2016 Wiley Periodicals, Inc.
Graft selection strategy in adult‐to‐adult living donor liver transplantation: When both hemiliver grafts meet volumetric criteria
Authors: Kurihara Takeshi , Yoshizumi Tomoharu , Yoshida Yoshihiro , Ikegami Toru , Itoh Shinji , Harimoto Norifumi , Ninomiya Mizuki , Uchiyama Hideaki , Okabe Hirohisa , Kimura Koichi , Kawanaka Hirofumi , Shirabe Ken , Maehara Yoshihiko
Published: March 2016

To ensure donor safety in living donor liver transplantation (LDLT), the left and caudate lobe (LL) is the preferred graft choice. However, patient prognosis may still be poor even if graft volume (GV) selection criteria are met. Our aim was to evaluate the effects of right lobe (RL) donation when the LL graft selection criteria are met. Consecutive donors (n = 135) with preoperative LL graft volumetric GV/standard liver volume (SLV) of ≥35% and RL remnant of ≥35% were retrospectively studied. Patients were divided into 2 groups: LL graft and RL graft. Recipient's body surface area (BSA), Model for End‐Stage Liver Disease (MELD) score, and the donor's age were higher in the RL group. The donor's BSA and preoperative volumetric GV/SLV of the LL graft were smaller in the RL group. The predicted score (calculated using data for graft size, donor age, MELD score, and the presence of portosystemic shunt, which correlated well with graft function and with 6‐month graft survival) of the RL group, was significantly lower if the LL graft were used, but using the actual RL graft improved the score equal to that of the LL group. Six‐month and 12‐month graft survival rates did not differ between the 2 groups. In patients with a poor prognosis, a larger RL graft improved the predicted score and survival was equal to that of patients who received LL grafts. In conclusion, graft selection by GV, donor age, and recipient MELD score improves outcomes in LDLT. Liver Transplantation 22 914–922 2016 AASLD
The usefulness of microsurgical pedicle lengthening in free anterolateral thigh flaps
Authors: Han Hyun Ho , Choi Eun Jeong , Oh Deuk Young , Moon Suk Ho
Published: March 2016

Background

A microsurgical pedicle‐lengthening technique can be used when a pedicle length longer than that usually provided by an anterolateral thigh (ALT) flap is required. The purpose of this report is description of pedicle lengthening method from original pedicle length for free ALT flaps and presentation of the results of application of this technique in reconstruction from a series of cases.

Patients and Methods

The microsurgical pedicle‐lengthening procedure was used in 10 patients who received free ALT flaps from January 2012 to June 2015. The location of reconstruction was the heel in 3 patients, foot in 3 patients, flank in 2 patients, forehead in 1 patient, and lower leg in 1 patient. The technique was categorized as two distinct 2 types according to the branching pattern of the perforator. The transected segments of the extra vessel lengths were translocated anterogradely, and used to perform pedicle extensions.

Results

The average length of the original pedicle was 13.1 cm (range 10.1–16.4 cm), and the average gain in length using the pedicle‐lengthening method was 6.5 cm (range 5.0–8.1 cm). All the flaps survived well postoperatively. Of the 10 patients, three experienced complications that included partial flap necrosis in one patient, wound dehiscence in one patient, and seroma in the third patient. No major complications occurred.

Conclusion

The microsurgical pedicle‐lengthening technique described here offers a solution for pedicles that are shorter than expected, with additional surgery required. This method may help overcome emergency situations that can arise during ALT flap surgery. © 2016 Wiley Periodicals, Inc. Microsurgery 36:559–566, 2016.
Effects of a mindfulness‐based weight loss intervention in adults with obesity: A randomized clinical trial
Authors: Daubenmier Jennifer , Moran Patricia J. , Kristeller Jean , Acree Michael , Bacchetti Peter , Kemeny Margaret E. , Dallman Mary , Lustig Robert H. , Grunfeld Carl , Nixon Douglas F. , Milush Jeffrey M. , Goldman Veronica , Laraia Barbara , Laugero Kevin D. , Woodhouse Leslie , Epel Elissa S. , Hecht Frederick M.
Published: March 2016

Objective

To determine whether adding mindfulness‐based eating and stress management practices to a diet‐exercise program improves weight loss and metabolic syndrome components.

Methods

In this study 194 adults with obesity were randomized to a 5.5‐month program with or without mindfulness training and identical diet‐exercise guidelines. Intention‐to‐treat analyses with multiple imputation were used for missing data. The primary outcome was 18‐month weight change.

Results

Estimated effects comparing the mindfulness to control arm favored the mindfulness arm in (a) weight loss at 12 months, −1.9 kg (95% CI: −4.5, 0.8; P = 0.17), and 18 months, −1.7 kg (95% CI: −4.7, 1.2; P = 0.24), though not statistically significant; (b) changes in fasting glucose at 12 months, −3.1 mg/dl (95% CI: −6.3, 0.1; P = 0.06), and 18 months, −4.1 mg/dl (95% CI: −7.3, −0.9; P = 0.01); and (c) changes in triglyceride/HDL ratio at 12 months, −0.57 (95% CI: −0.95, −0.18; P = 0.004), and 18 months, −0.36 (95% CI: −0.74, 0.03; P = 0.07). Estimates for other metabolic risk factors were not statistically significant, including waist circumference, blood pressure, and C‐reactive protein.

Conclusions

Mindfulness enhancements to a diet‐exercise program did not show substantial weight loss benefit but may promote long‐term improvement in some aspects of metabolic health in obesity that requires further study.