bluuebunny/crossref_metadata_2025 huggingface dataset:
Density Functional Theory Research into the Reduction Mechanism for the Solvent/Additive in a Sodium‐Ion Battery
Authors: Liu Qi , Mu Daobin , Wu Borong , Wang Lei , Gai Liang , Wu Feng
Published: November 2016

The solid–electrolyte interface (SEI) film in a sodium‐ion battery is closely related to capacity fading and cycling stability of the battery. However, there are few studies on the SEI film of sodium‐ion batteries and the mechanism of SEI film formation is unclear. The mechanism for the reduction of ethylene carbonate (EC), propylene carbonate (PC), vinylene carbonate (VC), ethylene sulfite (ES), 1,3‐propylene sulfite (PS), and fluorinated ethylene carbonate (FEC) is studied by DFT. The reaction activation energies, Gibbs free energies, enthalpies, and structures of the transition states are calculated. It is indicated that VC, ES, and PS additives in the electrolyte are all easier to form organic components in the anode SEI film by one‐electron reduction. The priority of one‐electron reduction to produce organic SEI components is in the order of VC>PC>EC; two‐electron reduction to produce the inorganic Na2CO3 component is different and follows the order of EC>PC>VC. Two‐electron reduction for sulfites ES and PS to form inorganic Na2SO3 is harder than that of carbonate ester reduction. It is also suggested that the one‐ and two‐electron reductive decomposition pathway for FEC is more feasible to produce inorganic NaF components.
Concise Xanthine Synthesis through a Double‐Amidination Reaction of a 6‐Chlorouracil with Amidines using Base‐Metal Catalysis
Authors: Morel Bénédicte , Franck Philippe , Bidange Johan , Sergeyev Sergey , Smith Dan A. , Moseley Jonathan D. , Maes Bert U. W.
Published: November 2016

A new and concise route towards xanthines through a double‐amidination reaction is described; consecutive intermolecular C−Cl and intramolecular oxidative C−H amidination. N‐uracil amidines are obtained through SNAE on a 6‐chlorouracil with amidines. Direct Cu‐catalyzed oxidative C−H amidination on these N‐uracil amidines yields polysubstituted xanthines. Sustainable oxidants, tBu2O2 or O2, can be used in this oxidase‐type reaction. The protocol allows for the introduction of N1, N3, N7, and C8 substituents during the xanthine‐scaffold construction, thus avoiding post‐functionalization steps. Both 6‐chlorouracils and amidines are readily available commercially or through synthesis.
Design and ARM‐embedded implementation of a chaotic map‐based multicast scheme for multiuser speech wireless communication
Authors: Gan Qiuye , Yu Simin , Li Chengqing , Lü Jinhu , Lin Zhuosheng , Chen Ping
Published: November 2016

This paper proposes a chaotic map‐based multicast scheme for multiuser speech wireless communication and implements it in an ARM platform. The scheme compresses the digital audio signal decoded by a sound card and then encrypts it with a three‐level chaotic encryption scheme. First, the position of every bit of the compressed data is permuted randomly with a pseudo‐random number sequence (PRNS) generated by a 6‐D chaotic map. Then, the obtained data are further permuted in the level of byte with a PRNS generated by a 7‐D chaotic map. Finally, it is operated with a multiround chaotic stream cipher. The whole system owns the following merits: the redundancy in the original audio file is reduced effectively and the corresponding unicity distance is increased; the balancing point between a high security level of the system and real‐time conduction speed is achieved well. In the ARM implementation, the framework of communication of multicast–multiuser in a subnet and the Internet Group Manage Protocol is adopted to obtain the function of communication between one client and other ones. Comprehensive test results were provided to show the feasibility and security performance of the whole system. Copyright © 2016 John Wiley & Sons, Ltd.
A topology and application‐aware relay path allocation scheme in multipath transport system based on application‐level relay
Authors: Zhang Wei , Ning Zhaolong , Lei Weimin , Chen Zhikui
Published: November 2016

The ever‐increasing transmission requirements of quality of service (QoS)‐sensitive applications, especially real‐time multimedia applications, can hardly be met by the single path routing protocols. Multipath transmission mechanism is a feasible approach to provide QoS for various applications. On the basis of the general framework of multipath transport system based on application‐level relay, we present a relay path allocation scheme, whose goal is to select suitable relay paths, while balancing the overlay traffic among the different domains and relayers. With the application‐layer traffic optimization service under the standardization within the Internet Engineering Task Force (IETF), the controller has the topology‐aware ability to allocate relay paths with excellent routing performance. To further develop the universality of our method, the controller perceives transmission performance of relay overlay network through relayers' performance detection processes and, thus, has the application‐aware ability to allocate relay paths with excellent transmission performance for different applications by consulting application‐specific transmission metrics. Simulation results demonstrate that the proposed relay path allocation algorithm performs well in allocating superior relay paths and can balance the distribution of overlay traffic across domains in different network situations.
Lead(II) 4,4′‐Bipyridine N‐Oxide Coordination Polymers – Highly Phosphorescent Materials with Mechanochromic Luminescence Properties
Authors: Toma Oksana , Mercier Nicolas , Allain Magali , Meinardi Francesco , Botta Chiara
Published: November 2016

In the PbIIX2/bp4mo (4,4′‐bipyridine N‐oxide) system, four coordination polymers (CPs) with the formulation of [PbX2(bp4mo)] are obtained. Compounds 1 and 2, in which X = Cl and Br, are polymorphs whose acentric structures are based on 2D CPs. On the contrary, the compound 3 (X = I) shows a close, but centrosymmetrical, structure compared with the ones of 1 and 2. Finally, the structure of compound 4, in which X = NO3–, is described by two‐interpenetrated 3D networks. They all exhibit phosphorescence properties characterized by a broad emission band at around 600 nm, with lifetimes longer than tens of µs and quite high quantum yields that increase in the halide series from 6 % (1) to 27 % (3) and up to 34 % for 4. They also exhibit mechanochromic luminescence (MCL) properties: the grinding (g) of samples 1–4 involves nearly complete extinction of the luminescence, as well as a crystal to amorphous transition of the corresponding samples 1‐g to 4‐g. This phenomenon, which can be also considered a crystallization‐enhanced emission process, is reversible either by heating, exposure to vapour (H2O, acetone) or by recrystallization in a few drops of acetone; however, it is accompanied by a loss of emission intensity. These compounds represent the first examples of MCL materials based on Pb2+.
Synthesis and Structural Characterization of Trimanganese‐Containing Polyoxovanadates with Carboxylate Ligands
Authors: Maruyama Tatsuya , Kikukawa Yuji , Kawamoto Keisuke , Hayashi Yoshihito
Published: November 2016

A trimanganese core containing polyoxovanadate {Et4N}5[Mn3(OAc)(H2O)V10O30] (I; OAc = acetate) was synthesized by the reaction of {Et4N}[VO3] with Mn(OAc)2 (0.3 equiv.) in acetonitrile. The trimanganese core possesses a bridging acetate ligand. To demonstrate the ligand‐exchange properties of I, its reaction with benzoic acid (1 equiv.) was conducted and {Et4N}5[Mn3(OBz)(H2O)V10O30] (II; OBz = benzoate) was formed quantitatively. By using a dicarboxylate, the inorganic–organic–inorganic hybrid {Et4N}10[{Mn3(H2O)V10O30}2{OOC(CH2)nCOO}] [n = 3 (III) and n = 4 (IV)] compounds were synthesized. To compensate the negative–negative repulsion between the anionic groups with a 5– charge, tetraethylammonium cations are sandwiched between the anionic groups in the crystallographic packing. Despite the differences in the bridging carbon numbers, both complexes have the same orientation in the crystal state except for the conformation of the alkyl chains, which suggests the presence of a unique interaction with an anion–cation–anion motif to form V‐shaped dimer configurations.
Total Synthesis of Marine Sesquiterpene Quinones (+)‐Cyclospongiaquinone‐1 and (–)‐Dehydrocyclospongiaquinone‐1 with a Tetracyclic Benzo[a]xanthene Skeleton
Authors: Takeda Yuki , Narita Koichi , Katoh Tadashi
Published: November 2016

Two marine sesquiterpene quinones, (+)‐cyclospongiaquinone‐1 and (–)‐dehydrocyclospongiaquinone‐1, were efficiently synthesized in 10 and 12 steps and overall yields of 33 and 24 %, respectively, from commercially available (+)‐sclareolide. The synthetic strategy involves the following crucial steps: (i) assembly of the carbon skeleton by coupling the decalin segment to the aromatic moiety; (ii) one‐step construction of the dihydropyran ring by acid‐induced acetonide deprotection/ether cyclization of an olefinic decalin intermediate that contains the aromatic moiety; (iii) formation of the p‐benzoquinone moiety by oxidation of a p‐methoxyphenolic derivative to produce (+)‐cyclospongiaquinone‐1; and (iv) oxidative dehydrogenation at the C‐12–C‐12a bond of a tetracyclic intermediate to obtain (–)‐dehydrocyclospongiaquinone‐1.
Highly Regioselective Monoacylation of Unprotected Glucopyranoside Using Transient Directing‐Protecting Groups
Authors: Rocheleau Sylvain , Pottel Joshua , Huskić Igor , Moitessier Nicolas
Published: November 2016

The regioselective functionalization of monosaccharides is notoriously achieved using metal catalysis, lengthy synthetic strategies requiring protection/deprotection, various enzymes, or other methods that target cis‐diols (and thus cannot be used with glucopyranose derivatives), In this paper, we report a new method using selected boronic acids as temporary protecting groups, and describe its application to the regioselective functionalization of methyl α‐d‐glucopyranoside, the most difficult monosaccharide to functionalize regioselectively. Generally, reactions of glucopyranosides may lead to a plethora of mono‐ and polyfunctionalized derivatives, yet our method gave the 3‐O‐acetylated, 2‐O‐benzoylated, and 2‐O‐pivaloylated derivatives of methyl α‐d‐glucopyranoside as major products. We focused on the use of recyclable and green temporary protecting groups (in a one‐pot reaction) and on the modulation of the intramolecular hydrogen‐bonding network using selected arylboronic acids. A complete scalable procedure leading to a single regioisomer from unprotected methyl α‐d‐glucopyranoside is presented.
Biocatalytic and Bioelectrocatalytic Approaches for the Reduction of Carbon Dioxide using Enzymes
Authors: Schlager Stefanie , Dibenedetto Angela , Aresta Michele , Apaydin Dogukan H. , Dumitru Liviu M. , Neugebauer Helmut , Sariciftci Niyazi S.
Published: November 2016

In the recent decade, CO2 has increasingly been regarded not only as a greenhouse gas but even more as a chemical feedstock for carbon‐based materials. Different strategies have evolved to realize CO2 utilization and conversion into fuels and chemicals. In particular, biological approaches have drawn attention, as natural CO2 conversion serves as a model for many processes. Microorganisms and enzymes have been studied extensively for redox reactions involving CO2. In this review, we focus on monitoring nonliving biocatalyzed reactions for the reduction of CO2 by using enzymes. We depict the opportunities but also challenges associated with utilizing such biocatalysts. Besides the application of enzymes with co‐factors, resembling natural processes, and co‐factor recovery, we also discuss implementation into photochemical and electrochemical techniques.
Improving the convergence behaviour of a fixed‐point‐iteration solver for multiphase flow in porous media
Authors: Salinas P. , Pavlidis D. , Xie Z. , Adam A. , Pain C. C. , Jackson M. D.
Published: November 2016

A new method to admit large Courant numbers in the numerical simulation of multiphase flow is presented. The governing equations are discretized in time using an adaptive θ‐method. However, the use of implicit discretizations does not guarantee convergence of the nonlinear solver for large Courant numbers. In this work, a double‐fixed point iteration method with backtracking is presented, which improves both convergence and convergence rate. Moreover, acceleration techniques are presented to yield a more robust nonlinear solver with increased effective convergence rate. The new method reduces the computational effort by strengthening the coupling between saturation and velocity, obtaining an efficient backtracking parameter, using a modified version of Anderson's acceleration and adding vanishing artificial diffusion. © 2016 The Authors. International Journal for Numerical Methods in Fluids Published by John Wiley & Sons Ltd.
Effect of leakage pathway flow properties on thermal signal associated with the leakage from CO2 storage zone
Authors: Mao Yilin , Zeidouni Mehdi , Askari Roohollah
Published: November 2016

Temperature can be used to detect the leakage of fluids from the CO2 storage zone. CO2 leakage is accompanied by temperature cooling due to the Joule‐Thomson effect. We investigate the strength of the temperature signals for two scenarios in which leakage occurs either through a leaky well or through a leaky fault. In addition, we identify and analyze the major mechanisms contributing to the temperature signal. A larger pressure drop at shallower depths and thinner caprock thickness can induce more cooling and hence a stronger temperature signal. Furthermore, we study the effect of capillary pressure on the temperature signal as it can reduce the Joule‐Thomson effect after CO2 leakage. The hydraulic properties of the leakage pathway, being a fractured or non‐fractured matrix porous medium, are investigated using dual‐porosity/dual‐permeability models and considering identical permeability to the single porous medium case. The leakage rate increases significantly for dual‐medium models. The further sensitivity analysis contains the effects of leakage pathway flow properties: fracture permeability, fracture spacing, and porosity. We also extend our models to consider the injection zone as a naturally fractured reservoir, and further incorporate an above‐zone monitoring interval as another naturally fractured reservoir as well. © 2016 Society of Chemical Industry and John Wiley & Sons, Ltd.
Reappraising hyalinizing clear cell carcinoma: A population‐based study with molecular confirmation
Authors: Hernandez–Prera Juan C. , Kwan Ricky , Tripodi Joseph , Chiosea Simion , Cordon–Cardo Carlos , Najfeld Vesna , Demicco Elizabeth G.
Published: November 2016

Background

Hyalinizing clear cell carcinoma (HCCC) is a rare malignancy, characterized by EWSR1‐ATF1 gene fusion, whose behavior is poorly understood, as it was for many years considered a diagnosis of exclusion.

Methods

All available salivary gland carcinomas (n = 594) from our institution were reviewed. Diagnosis of HCCC was confirmed by fluorescence in situ hybridization (FISH) for EWSR1. Literature review was performed.

Results

We found 15 patients with HCCCs (10 women, 5 men), 13 with EWSR1 rearrangement. Median age at diagnosis was 57 years (range, 31–87 years). Oral cavity (n = 9) and base of tongue (n = 4) were the most frequent primary sites. Combining our cases with those identified in literature review, the 10‐year risk of local recurrence and locoregional nodal metastasis were 49% and 15%, respectively.

Conclusion

Molecularly confirmed HCCC accounted for 2.5% of salivary gland malignancies at our institution. HCCCs are indolent tumors with a propensity for locoregional recurrence. © 2016 Wiley Periodicals, Inc. Head Neck 39: 503–511, 2017
The relationship between vegetable/fruit consumption and gallbladder/bile duct cancer: A population‐based cohort study in Japan
Authors: Makiuchi Takeshi , Sobue Tomotaka , Kitamura Tetsuhisa , Ishihara Junko , Sawada Norie , Iwasaki Motoki , Sasazuki Shizuka , Yamaji Taiki , Shimazu Taichi , Tsugane Shoichiro
Published: November 2016

Vegetable and fruit consumption may have a protective effect against several types of cancers. However, the effect on biliary cancers is unclear. We investigated the association of vegetable/fruit consumption with the risks of gallbladder cancer (GBC), intrahepatic bile duct cancer (IHBDC) and extrahepatic bile duct cancer (EHBDC) in a population‐based prospective cohort study in Japan. Hazard ratios (HRs) and 95% confidence intervals (CIs) were calculated using the Cox proportional hazard model, and the exposure level was categorized into quartiles, with the lowest group used as the reference. A total of 80,371 people aged 45 to 74 years were enrolled between 1995 and 1999, and followed up for 1,158,632 person‐years until 2012, during which 133 GBC, 99 IHBDC, and 161 EHBDC cases were identified. Increased consumption of total vegetable and fruit was significantly associated with a decreased risk of EHBDC (HR = 0.49; 95% CI: 0.29–0.81 for the highest group; p trend = 0.005). From the analysis of relevant nutrients, significantly decreased risk of EHBDC was associated with folate and insoluble fiber (HR = 0.48, 0.53; 95% CI: 0.28–0.85, 0.31–0.88 for the highest group; p trend = 0.010, 0.023; respectively), and a significant trend of decreased EHBDC risk associated with vitamin C was observed (p trend = 0.029). No decreased risk of GBC and IHBDC was found. Our findings suggest that increased vegetable/fruit consumption may decrease a risk of EHBDC, and folate, vitamin C, and insoluble fiber might be key contributors to the observed protective effect.
Dynamics of intracellular processes in live‐cell systems unveiled by fluorescence correlation microscopy
Authors: González Bardeci Nicolás , Angiolini Juan Francisco , De Rossi María Cecilia , Bruno Luciana , Levi Valeria
Published: November 2016

Fluorescence fluctuation‐based methods are non‐invasive microscopy tools especially suited for the study of dynamical aspects of biological processes. These methods examine spontaneous intensity fluctuations produced by fluorescent molecules moving through the small, femtoliter‐sized observation volume defined in confocal and multiphoton microscopes. The quantitative analysis of the intensity trace provides information on the processes producing the fluctuations that include diffusion, binding interactions, chemical reactions and photophysical phenomena. In this review, we present the basic principles of the most widespread fluctuation‐based methods, discuss their implementation in standard confocal microscopes and briefly revise some examples of their applications to address relevant questions in living cells. The ultimate goal of these methods in the Cell Biology field is to observe biomolecules as they move, interact with targets and perform their biological action in the natural context. © 2016 IUBMB Life, 69(1):8–15, 2017
Hydrogen peroxide modulates energy metabolism and oxidative stress in cultures of permanent human Müller cells MIO‐M1
Authors: Peters Sven , Griebsch Max , Klemm Matthias , Haueisen Jens , Hammer Martin
Published: November 2016

In this study the influence of hydrogen peroxide (H2O2) on the redox state, NADH protein binding, and mitochondrial membrane potential in Müller cells is investigated. Cultures of permanent human Müller cells MIO‐M1 were exposed to H2O2in 75 µM and 150 µM concentration for two hours. Fluorescence emission spectra and lifetimes were measured by two‐photon microscopy (excitation wavelength: 740 nm) at the mitochondria which were identified in the microscopic images by their fluorescence properties (spectra and intensity). Two hours of H2O2exposure did not impair viability of MIO‐M1 cells in culture. Whereas the ratio of flavine‐ to NADH fluorescence intensity did not change under either H2O2concentration, the mean lifetime was significantly different between controls, not exposed to H2O2, and the 150 µM H2O2exposure (972 ± 63 ps vs. 1152 ± 64 ps,p= 0.014). One hour after cessation of the H2O2exposure, the value retuned to that of the control (983 ± 36 ps). A hyperpolarization of the mitochondrial membrane under 150 µM H2O2was found. These findings suggest a shift form free to protein‐bound NADH in mitochondria as well as a hyperpolarization of their inner membrane which could be related to an impairment of Müller cell function despite their preserved viability.

Exposure of human Müller cells to hydrogen peroxide for two hours results in a reversible change of protein binding of mitochondrial NADH upon unchanged redox ratio. The mitochondrial membrane potential is increased during exposure.

magnified image

Exposure of human Müller cells to hydrogen peroxide for two hours results in a reversible change of protein binding of mitochondrial NADH upon unchanged redox ratio. The mitochondrial membrane potential is increased during exposure.
Anomerization reaction of bare and microhydrated d‐erythrose via explicitly correlated coupled cluster approach. Two water molecules are optimal
Authors: Szczepaniak Marek , Moc Jerzy
Published: November 2016

We present a comprehensive benchmark computational study which has explored a complete path of the anomerization reaction of bare d‐erythrose involving a pair of the low‐energy α‐ and β‐furanose anomers, the former of which was observed spectroscopically (Cabezas et al., Chem. Commun. 2013, 49, 10826). We find that the ring opening of the α‐anomer yields the most stable open‐chain tautomer which step is followed by the rotational interconversion of the open‐chain rotamers and final ring closing to form the β‐anomer. Our results indicate the flatness of the reaction's potential energy surface (PES) corresponding to the rotational interconversion path and its sensitivity to the computational level. By using the explicitly correlated coupled cluster CCSD(T)‐F12/cc‐pVTZ‐F12 energies, we determine the free energy barrier for the α‐furanose ring‐opening (rate‐determining) step as 170.3 kJ/mol. The question of the number of water molecules (n) needed for optimal stabilization of the erythrose anomerization reaction rate‐determining transition state is addressed by a systematic exploration of the PES of the ring opening in the α‐anomer‐(H2O)n and various β‐anomer‐(H2O)n (n = 1–3) clusters using density functional and CCSD(T)‐F12 computations. These computations suggest the lowest free energy barrier of the ring opening for doubly hydrated α‐anomer, achieved by a mechanism that involves water‐mediated multiple proton transfer coupled with the furanose CO bond breakage. Among the methods used, the G4 performed best against the CCSD(T)‐F12 reference at estimating the ring‐opening barrier heights for both the hydrated and bare erythrose conformers. Our results for the hydrated species are most relevant to an experimental study of the anomerization reaction of d‐erythrose to be carried out in microsolvation environment. © 2016 Wiley Periodicals, Inc.
MONKEYS, MIRRORS, AND ME: GORDON GALLUP AND THE STUDY OF SELF‐RECOGNITION
Authors: GUENTHER KATJA
Published: November 2016

This article explores the work of psychologist Gordon Gallup, Jr., during the 1960s and 1970s on mirror self‐recognition in animals. It shows how Gallup tried to integrate the mental “self‐concept” into an otherwise strictly behaviorist paradigm. By making an argument from material culture, the article demonstrates how Gallup's adoption of a self‐concept is best understood as a product of his sustained analysis of the workings of the mirror as a piece of experimental apparatus. In certain situations, the stimulus properties of the mirror changed dramatically, a shift that Gallup thought legitimated the positing of a self‐concept. For this reason, Gallup supposed he could use a mirror to provide an operationalized concept of the self, that is, produce a definition that was compatible with behaviorist experimental norms. The article argues that behaviorism was more supple and productive than is often assumed, and contained resources that could align it with the “cognitive revolution” to which it is most often opposed.
BACK TO THE ORIGINS OF THE REPUDIATION OF WUNDT: OSWALD KÜLPE AND RICHARD AVENARIUS
Authors: RUSSO KRAUSS CHIARA
Published: November 2016

This essay provides a fresh account of the break between Oswald Külpe and his master Wilhelm Wundt. Kurt Danziger's reconstruction of the “repudiation” of Wundt, which has become the canon for this significant episode of history of psychology, focused on the supposed influence of Ernst Mach on this set of events, overshadowing the other exponent of Empiriocriticism: Richard Avenarius. Analyzing archival documents and examining anew the primary sources, the paper shows that Avenarius was himself a member of Wundt's circle, and that his “repudiation” of the master paved the way for Külpe. The essay points out the original anti‐Wundtian aspects of Avenarius' notion of psychology, thus showing how they were then adopted by Külpe.
Hormesis, cellular stress response and neuroinflammation in schizophrenia: Early onset versus late onset state
Authors: Calabrese Vittorio , Giordano James , Crupi Rosalia , Di Paola Rosanna , Ruggieri Martino , Bianchini Rio , Ontario Maria Laura , Cuzzocrea Salvatore , Calabrese Edward J.
Published: November 2016

Abnormal redox homeostasis and oxidative stress have been proposed to play a role in the etiology of several neuropsychiatric spectrum disorders. Emerging interest has recently focused on markers of oxidative stress and neuroinflammation in schizophrenic spectrum disorders, at least in particular subgroups of patients. Altered expression of genes related to oxidative stress, oxidative damage to DNA, protein and lipids, as well as reduced glutathione levels in central and peripheral tissues could act synergistically, and contribute to the course of the disease.

 Herein, we discuss cellular mechanisms that may be operative in neuroinflammation and contributory to schizophrenia. We address modulation of endogenous cellular defense mechanisms as a potentially innovative approach to therapeutics for schizophrenia, and other neuropsychiatric conditions that are associated with neuroinflammation. Specifically, we discuss the emerging role of heme oxygenase as prominent member of neuroprotective network in redox stress responsive mechanisms, as well as the importance of glutathione relevant in schizophrenia pathophysiology. Finally we introduce the hormetic dose response concept as relevant and important to neuroprotection, and review hormetic mechanisms as possible approaches to manipulation of neuroinflammatory targets that may be viable for treating schizophrenia spectrum disorders. © 2016 Wiley Periodicals, Inc.
Perfusion has no effect on the in vivo CEST effect from Cr (CrCEST) in skeletal muscle
Authors: Kogan Feliks , Stafford Randall B. , Englund Erin K. , Gold Garry E. , Hariharan Hari , Detre John A. , Reddy Ravinder
Published: November 2016

Creatine, a key component of muscle energy metabolism, exhibits a chemical exchange saturation transfer (CEST) effect between its amine group and bulk water, which has been exploited to spatially and temporally map creatine changes in skeletal muscle before and after exercise. In addition, exercise leads to an increase in muscle perfusion. In this work, we determined the effects of perfused blood on the CEST effects from creatine in skeletal muscle. Experiments were performed on healthy human subjects (n = 5) on a whole‐body Siemens 7T magnetic resonance imaging (MRI) scanner with a 28‐channel radiofrequency (RF) coil. Reactive hyperemia, induced by inflation and subsequent deflation of a pressure cuff secured around the thigh, was used to increase tissue perfusion whilst maintaining the levels of creatine kinase metabolites. CEST, arterial spin labeling (ASL) and 31P MRS data were acquired at baseline and for 6 min after cuff deflation. Reactive hyperemia resulted in substantial increases in perfusion in human skeletal muscle of the lower leg as measured by the ASL mean percentage difference. However, no significant changes in CrCEST asymmetry (CrCESTasym) or 31P MRS‐derived PCr levels of skeletal muscle were observed following cuff deflation. This work demonstrates that perfusion changes do not have a major confounding effect on CrCEST measurements.
A multimodal study of impulsivity and body weight: Integrating behavioral, cognitive, and neuroimaging approaches
Authors: Filbey Francesca M. , Yezhuvath Uma S.
Published: November 2016

Objective

Dimensions of impulsivity are related to obesity. Accordingly, characterization of impulsivity in individuals with overweight and obesity holds promise for more targeted and effective intervention.

Methods

Forty‐five individuals (13 males, mean age = 32.6, mean body mass index [BMI] = 30.7) were recruited to determine the role of impulsivity in elevated body weight by evaluating: (1) trait impulsivity via impulsive sensation‐seeking scale (ImpSS), (2) state impulsivity via continuous performance test, and (3) activation and integration of brain cognitive control regions via functional magnetic resonance imaging during a response inhibition task (i.e., stop signal task).

Results

Positive correlations were found between BMI and trait (ImpSS) as well as state impulsivity (continuous performance test, β). BMI was negatively correlated with regional activation in the temporal lobe and insula during successful response inhibition. Further, there was a positive association between BMI and functional connectivity between the right inferior frontal gyrus and right middle frontal gyrus during successful response inhibition. Mediation analyses revealed that ImpSS mediated the relationship between BMI and neural response in the right inferior frontal gyrus.

Conclusions

This multimodal study provides concordant evidence for behavioral, cognitive, and neural markers of impulsivity and elevated BMI, highlighting the need to address inhibitory control mechanisms for more effective weight management programs.
Evaluation of maternal and perinatal characteristics on childhood lymphoma risk: A population‐based case‐control study
Authors: Peckham‐Gregory Erin C. , Danysh Heather E. , Brown Austin L. , Eckstein Olive , Grimes Amanda , Chakraborty Rikhia , Lubega Joseph , McClain Kenneth L. , Allen Carl E. , Scheurer Michael E. , Lupo Philip J.
Published: November 2016

Background

Lymphoma is one of the most common pediatric malignancies; however, there are few well‐established risk factors. Therefore, we investigated if maternal and perinatal characteristics influenced the risk of childhood lymphoma.

Procedure

Information on cases (n = 374) diagnosed with lymphoma and born in Texas for the period 1995–2011 was obtained from the Texas Cancer Registry. Birth certificate controls were randomly selected at a ratio of 10 controls per 1 case for the same period of 1995–2011. Unconditional logistic regression was used to generate unadjusted (OR) and adjusted odds ratios (aOR) and 95% confidence intervals (CI) for the following histologic subtypes: Hodgkin (HL), Burkitt (BL), and non‐BL non‐HLs (non‐BL NHLs).

Results

Overall, our findings indicate specific maternal and perinatal characteristics influence childhood lymphoma risk. Mexico‐born mothers were more likely to have offspring who developed BL compared to mothers born in the United States (U.S.; aOR: 2.15; 95% CI: 1.06–4.36). Further, mothers who resided at time of delivery in a county on the U.S.‐Mexico border were more likely to give birth to offspring who developed non‐BL NHL (aOR: 1.72; 95% CI: 1.11–2.67) compared to mothers not living on the U.S.‐Mexico border at time of infant birth. Last, infants born large‐for‐gestational‐age experienced a twofold increase in BL risk (aOR: 2.00; 95% CI: 1.10–3.65).

Conclusions

In this population‐based assessment, we confirmed previously reported risk predictors of childhood lymphoma, including sex of infant, while highlighting novel risk factors that warrant assessment in future studies.
Feasibility and clinical integration of molecular profiling for target identification in pediatric solid tumors
Authors: Pincez Thomas , Clément Nathalie , Lapouble Eve , Pierron Gaëlle , Kamal Maud , Bieche Ivan , Bernard Virginie , Fréneaux Paul , Michon Jean , Orbach Daniel , Aerts Isabelle , Pacquement Hélène , Bourdeaut Franck , Jiménez Irene , Thébaud Estelle , Oudot Caroline , Vérité Cécile , Taque Sophie , Owens Cormac , Doz François , Le Tourneau Christophe , Delattre Olivier , Schleiermacher Gudrun
Published: November 2016

Background

The role of tumor molecular profiling in directing targeted therapy utilization remains to be defined for pediatric tumors. We aimed to evaluate the feasibility of a sequencing and molecular biology tumor board (MBB) program, and its clinical impact on children with solid tumors.

Procedure

We report on a single‐center MBB experience of 60 pediatric patients with a poor prognosis or relapsed/refractory solid tumors screened between October 2014 and November 2015. Tumor molecular profiling was performed with panel‐based next‐generation sequencing and array comparative genomic hybridization.

Results

Mean age was 12 ± 5.7 years (range 0.1–21.5); main tumor types were high‐grade gliomas (n = 14), rare sarcomas (n = 9), and neuroblastomas (n = 8). The indication was a poor prognosis tumor at diagnosis for 16 patients and relapsed (n = 26) or refractory disease (n = 18) for the remaining 44 patients. Molecular profiling was feasible in 58 patients. Twenty‐three patients (40%) had a potentially actionable finding. Patients with high‐grade gliomas had the highest number of targetable alterations (57%). Six of the 23 patients subsequently received a matched targeted therapy for a period ranging from 16 days to 11 months. The main reasons for not receiving targeted therapy were poor general condition (n = 5), pursuit of conventional therapy (n = 6), or lack of pediatric trial (n = 4).

Conclusions

Pediatric molecular profiling is feasible, with more than a third of patients being eligible to receive targeted therapy, yet only a small proportion were treated with these therapies. Analysis at diagnosis may be useful for children with very poor prognosis tumsors.
Health‐related quality of life and adherence to hydroxyurea in adolescents and young adults with sickle cell disease
Authors: Badawy Sherif M. , Thompson Alexis A. , Lai Jin‐Shei , Penedo Frank J. , Rychlik Karen , Liem Robert I.
Published: November 2016

Background

Complications related to sickle cell disease (SCD) result in significant declines in health‐related quality of life (HRQOL). While hydroxyurea reduces SCD complications, adherence remains suboptimal. The study's objectives were to assess the feasibility of Internet‐based electronic assessment of HRQOL in SCD clinic and to examine the relationship between HRQOL and hydroxyurea adherence in adolescents and young adults (AYAs) with SCD.

Procedure

A cross‐sectional survey was administered on tablets to 34 AYAs (12–22 years old) in a SCD clinic from January through December 2015. Study measures included Patient Reported Outcomes Measurement Information System (PROMIS®) computerized adaptive testing and ©Modified Morisky Adherence Scale 8‐items (©MMAS‐8).

Results

Participants (59% male, 91% Black) had median age of 13.5 (range 12–18) years. Ninety‐one percent completed PROMIS® measures electronically in the clinic, meeting our feasibility criterion of ≥85% completion rate. ©MMAS‐8 scores positively correlated with fetal hemoglobin (HbF) (rs = 0.34, P = 0.04) and mean corpuscular volume (MCV) (rs = 0.42, P = 0.01) and inversely correlated with fatigue (rs = –0.45, P = 0.01), depression (rs = –0.3, P = 0.08), and social isolation (rs = –0.78, P = 0.02). Low ©MMAS‐8 scores, indicating poor adherence, were associated with worse fatigue (P = 0.001) and trended toward significance for pain (P = 0.07) and depression (P = 0.06). Homozygous hemoglobin S disease patients with low HbF (<16%) had worse social isolation (P = 0.04) and those with low MCV (<102 fl) reported worse fatigue (P = 0.001), pain (P = 0.01), mobility (P = 0.01), and social isolation (P = 0.04).

Conclusions

HRQOL assessment in the SCD clinic is feasible. SCD patients with low hydroxyurea adherence and/or low HbF or MCV levels had worse HRQOL scores, particularly fatigue. Future prospective studies examining the relationship between HRQOL and hydroxyurea adherence are warranted.
Clinical aspects of prenatally detected congenital heart malformations and the yield of chromosomal microarray analysis
Authors: Sukenik‐Halevy Rivka , Sukenik Shay , Koifman Arie , Alpert Yoav , Hershkovitz Reli , Levi Alex , Biron‐Shental Tal
Published: November 2016

Objective

The yield of chromosomal microarray analysis (CMA) for prenatally detected congenital heart defects (CHD) is 6.6% to 19.2%. We evaluated the yield of CMA in cases of prenatally detected CHD in regard to specific clinical characteristics.

Methods

Data from 192 cases of CHD including type, clinical and familial background, workup performed during the pregnancy, and pregnancy outcomes were collected.

Results

Fetal echocardiography was performed in all cases; 61.4% of CHD were suspected by ultrasound. There was a positive family history (FH) in 15.7%. Abnormal nuchal translucency or umbilical cord anomalies were detected in 1.7% and 5.9%, respectively, and 55.1% were isolated cases. In 11 of 96 cases in which genetic testing was performed, karyotype and CMA were abnormal (11.5%). The detection rate of CMA (performed in 72 cases) was 9.7%. The yield of CMA was similar in simple cases, isolated cases, and cases with a positive FH. CMA was abnormal in 7.3% of ventricular septal defect cases.

Conclusion

Most cases of prenatally detected CHD had no additional extra‐cardiac, sonographic findings suggesting increased risk for CHD. The yield of CMA testing was significant in all clinical scenarios including simple heart malformations, isolated cases, and cases with a positive FH. © 2016 John Wiley & Sons, Ltd.
Solar cell efficiency tables (version 49)
Authors: Green Martin A. , Emery Keith , Hishikawa Yoshihiro , Warta Wilhelm , Dunlop Ewan D. , Levi Dean H. , Ho‐Baillie Anita W. Y.
Published: November 2016

Consolidated tables showing an extensive listing of the highest independently confirmed efficiencies for solar cells and modules are presented. Guidelines for inclusion of results into these tables are outlined, and new entries since June 2016 are reviewed. Copyright © 2016 John Wiley & Sons, Ltd.
Developments in antimicrobial polymers
Authors: Ren Wei , Cheng Weiren , Wang Guan , Liu Ye
Published: November 2016

Effective antimicrobial polymers have been attracting more interests because of the low propensity to cause drug‐resistant microorganisms. The recent progresses in antimicrobial polymers are updated according to the action approaches, that is, antimicrobial polymers with free mobility or fixed on surfaces, respectively. Free antimicrobial polymers kill pathogens majorly via electrostatic interaction followed by disruption of the cell membranes; strong antimicrobial activity of primary/secondary amines, new chemical units, and peptides without facial amphiphilicity are highlighted; and the dependences on amphiphilicity, topology, and self‐assembly profiles are summarized. Antimicrobial polymers fixed on surfaces kill pathogens via interaction with the cell membranes of pathogens via electrostatic or hydrophobic interaction; approaches to antimicrobial surfaces based on covalently grafting, anchoring, and bulk‐mixing of polymers are summarized; and new designs of sustainable antimicrobial surfaces and hydrogels are highlighted. Deep biology understanding and development strategies of materials are suggested for the future. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017, 55, 632–639
Potential‐inserted quantum well design for quantum cascade terahertz lasers
Authors: Benchamekh R. , Jancu J.‐M. , Voisin P.
Published: November 2016

We report on a new design of terahertz quantum cascade laser based on a single, potential‐inserted quantum well active region. The quantum well properties are engineered through single monolayer InAs inserts. The modeling is based on atomistic, spds* tight‐binding calculations, and performances are compared to that of the classical three‐well design. We obtain a 100% increase of the oscillator strength per unit length, while maintaining a high, nearly temperature‐independent contrast between phonon‐induced relaxation times of the upper and lower lasing states. The improved performances are expected to allow THz lasing at room temperature.
Low energy scanning transmission electron beam induced current for nanoscale characterization of p–n junctions
Authors: Peretzki Patrick , Ifland Benedikt , Jooss Christian , Seibt Michael
Published: November 2016

Electron beam induced current (EBIC) at p–n junctions can be measured in high spatial resolution using a thin lamella geometry, where most incident electrons transmit the sample. We explore the case of low excitation energies in a wedge‐shaped lamella geometry to increase resolution in a controlled way. We compare a sample with high (Si) and low (manganite‐titanate heterojunction) diffusion length and use Monte Carlo based simulations as a reference. It is shown that the EBIC signal obtained from the Si junction vanishes below a thickness of 300 nm, whereas this happens at 80 nm in the PCMO–STNO junction. This allows for achieving an EBIC resolution of better than 50 nm for the latter system. The observed fundamental differences between the silicon and the perovskite junction are discussed in terms of preparation induced ‘dead’ layers and surface recombination.
Estimating mammalian species richness and occupancy in tropical forest canopies with arboreal camera traps
Authors: Bowler Mark T. , Tobler Mathias W. , Endress Bryan A. , Gilmore Michael P. , Anderson Matthew J.
Published: November 2016

Large and medium‐bodied rainforest canopy mammals are typically surveyed using line transects, but these are labour intensive and usually ignore nocturnal species. Camera traps have become the preferred tool for assessing terrestrial mammal communities, but have rarely been used for arboreal species. Here, we compare the efficiency of arboreal camera trapping with line transects for inventorying medium and large‐sized arboreal mammals, and assess the viability of using camera traps in trees to model habitat occupancy. We installed 42 camera traps, spaced 2 km apart, in the canopy of the Maijuna‐Kichwa Regional Conservation Area, Peru and walked 2014 km of diurnal line transects on 22 trails at the same site. We compared the efficiency of each method using species accumulation curves. We applied a multi‐species occupancy model, while examining the effect of camera height on detection probabilities, including the distance from a village and from a river as covariates to examine variability in habitat occupancy. In 3147 camera days, 18 species of arboreal medium and large‐sized mammals were detected by cameras, while 11 species were recorded on line transects. Ten of these species were detected by both methods. Diurnal species were detected more quickly and with less effort using arboreal camera trapping than using diurnal line transects at the same site, although some species were more easily detected during line transects. Habitat occupancy was positively correlated with distance from the village for two species, and negatively correlated with distance from the river for one. Detection probabilities increased modestly with camera height. Practical limitations of arboreal camera trapping include the requirement for specialized climbing techniques, as well as increased potential for false triggers, requiring extended processing time. Arboreal camera trapping is an efficient method for inventorying arboreal mammals and a viable option for studying their distribution relative to environmental or anthropogenic variables when abundance or density estimates are not required.
Estimation of state occupancy probabilities in multistate models with dependent intermittent observation, with application to HIV viral rebounds
Authors: Nazeri Rad N. , Lawless J. F.
Published: November 2016

In follow‐up studies on chronic disease cohorts, individuals are often observed at irregular visit times that may be related to their previous disease history and other factors. This can produce bias in standard methods of estimation. Working in the context of multistate models, we consider a method of nonparametric estimation for state occupancy probabilities that adjusts for dependent follow‐up through the use of inverse‐intensity‐of‐visit weighted estimating functions and smoothing. The methodology is applied to the estimation of viral rebound probabilities in the Canadian Observational Cohort on HIV‐positive persons. Copyright © 2016 John Wiley & Sons, Ltd.
p27kip1 Is Required for Functionally Relevant Adult Hippocampal Neurogenesis in Mice
Authors: Hörster Henrik , Garthe Alexander , Walker Tara L. , Ichwan Muhammad , Steiner Barbara , Khan Muhammad Amir , lie Dieter Chichung , Nicola Zeina , Ramirez-Rodriguez Gerardo , Kempermann Gerd
Published: November 2016

We asked whether cell-cycle associated protein p27kip1 might be involved in the transition of precursor cells to postmitotic maturation in adult hippocampal neurogenesis. p27kip1 was expressed throughout the dentate gyrus with a strong nuclear expression in early postmitotic, calretinin-positive neurons and neuronally determined progenitor cells (type-3 and some type-2b), lower or absent expression in radial glia-like precursor cells (type-1) and type-2a cells and essentially no expression in granule cells. This suggested a transitory role in late proliferative and early postmitotic phases of neurogenesis. Inconsistent with a role limited to cell cycle arrest the acute stimuli, voluntary wheel running (RUN), environmental enrichment (ENR) and kainate-induced seizures increased p27kip1 expressing cells. Sequential short-term combination of RUN and ENR yielded more p27kip1 cells than either stimulus alone, indicating an additive effect. In vitro, p27kip1 was lowly expressed by proliferating precursor cells but increased upon differentiation. In p27kip1−/− mice neurogenesis was reduced in vivo, whereas the number of proliferating cells was increased. Accordingly, the microdissected dentate gyrus of p27kip1−/− mice generated more colonies in the neurosphere assay and an increased number of larger spheres with the differentiation potential unchanged. In p27kip1−/− monolayer cultures, proliferation was increased and cell cycle genes were upregulated. In the Morris water maze p27kip1−/− mice learned the task but were specifically impaired in the reversal phase explainable by the decrease in adult neurogenesis. We conclude that p27kip1 is involved in the decisive step around cell-cycle exit and plays an important role in activity-regulated and functionally relevant adult hippocampal neurogenesis.