bluuebunny/crossref_metadata_2025 huggingface dataset:
Accelerated Screening of Thermoelectric Materials by First‐Principles Computations of Electron–Phonon Scattering
Authors: Samsonidze Georgy , Kozinsky Boris
Published: April 2018

Recent discoveries of new materials for thermoelectric energy conversion are enabled by efficient prediction of the materials' performance from first‐principles, without empirically fitted parameters. The novel simplified approach for computing electronic transport properties is described, which achieves good accuracy and transferability while greatly reducing complexity and computation cost compared to the existing methods. The first‐principles calculations of the electron–phonon coupling demonstrate that the energy dependence of the electron relaxation time varies significantly with chemical composition and carrier concentration, suggesting that it is necessary to go beyond the commonly used approximations to screen and optimize materials' composition, carrier concentration, and microstructure. The new method is verified using high accuracy computations and validated with experimental data before applying it to screen and discover promising compositions in the space of half‐Heusler alloys. By analyzing data trends the effective electron mass is identified as the single best general descriptor determining material' performance. The Lorenz number is computed from first principles and the universality of the Wiedemann–Franz law in thermoelectrics is discussed.
Genetic counseling in industry settings: Opportunities in the era of precision health
Authors: McWalter Kirsty , Cho Megan T. , Hart Tara , Nusbaum Rachel , Sebold Courtney , Knapke Sara , Klein Rachel , Friedman Bethany , Willaert Rebecca , Singleton Amanda , Williams Leah , Butler Elizabeth , Juusola Jane
Published: April 2018

The skill sets of genetic counselors are strongly utilized in industry, as evidenced by 20% of genetic counselors reporting employment within industry in 2016. In addition, industry genetic counselors are expanding their roles, taking on new responsibilities, and creating new opportunities. These advances have impacted the profession as a whole including, but not limited to, genetic counseling training curricula, a shift back to genetic counseling directly to patients, and a growing influence of genetic counselors on industry test offerings. Industry genetic counselors and training programs are working together to address the challenges and opportunities presented by workforce changes and novel interpretations of how genetic counselors' core competencies can be utilized. Counseling of patients by industry genetic counselors has become more commonplace and addresses a need for alternate service delivery models. Industry genetic counselors often provide significant contributions to test development, education, marketing, and interpretation. Beyond these broad examples, individual industry genetic counselors have created unique niches for themselves, using their genetic counseling training combined with unique opportunities offered through industry, as illustrated by genetic counselors' various roles and responsibilities highlighted here.
The influence of digit size and proportions on dexterity during cold exposure
Authors: Payne Stephanie , Macintosh Alison , Stock Jay
Published: April 2018

Objectives

The current study investigated whether size and proportions of the hands and digits affect dexterity during severe cold exposure. As wide hands are known to lose less heat than narrow hands, and narrow digits are associated with greater dexterity, this study aimed to test whether there was a direct trade‐off between dexterity and thermoregulation that shapes hand morphology.

Methods

Participants (25 women, 15 men) carried out the Purdue Pegboard test before and after a 3‐min ice‐water immersion of the hand. Their hand length, hand width, digit lengths, and digit widths were measured using standard anthropometric methods.

Results

Wide first and third digits associated with significantly reduced dexterity after immersion relative to individuals with narrower first and third digits. Second digit width positively correlated with average digit temperature after immersion. Hand length and hand width did not influence dexterity.

Conclusion

The current study suggests that digit width influences dexterity in cold conditions, reflecting patterns found at room temperature. Hand and digit morphology may be the product of two significant constraints on the hand: dexterity and thermoregulation. In cold conditions, hand morphology appears to be predominantly constrained by thermal stress, at the expense of dexterity. This may have important implications for interpreting the morphology of extinct and extant hominins.
Three‐Photon Polarization‐Spatial Hyperparallel Quantum Fredkin Gate Assisted by Diamond Nitrogen Vacancy Center in Optical Cavity
Authors: Ren Bao‐Cang , Wang Ai Hua , Alsaedi Ahmed , Hayat Tasawar , Deng Fu‐Guo
Published: April 2018

The construction of a near‐deterministic photonic hyperparallel quantum Fredkin (hyper‐Fredkin) gate is investigated for a three‐photon system with the optical property of a diamond nitrogen vacancy center embedded in an optical cavity (cavity‐NV center system). This hyper‐Fredkin gate can be used to perform double Fredkin gate operations on both the polarization and spatial‐mode degrees of freedom (DOFs) of a three‐photon system with a near‐unit success probability, compared with those on the double three‐photon systems in one DOF. In this proposal, the hybrid quantum logic gate operations are the key elements of the hyper‐Fredkin gate, and only two cavity‐NV center systems are required. Moreover, the possibility of constructing a high‐fidelity and high‐efficiency hyper‐Fredkin gate in the experimental environment of a cavity‐NV center system is discussed, which may be used to implement high‐fidelity photonic computational tasks in two DOFs with a high efficiency.
3D DNA Origami Nanoparticles: From Basic Design Principles to Emerging Applications in Soft Matter and (Bio‐)Nanosciences
Authors: Loescher Sebastian , Groeer Saskia , Walther Andreas
Published: April 2018

Scaffold‐based lattice‐engineered 3D DNA origami is a powerful and versatile technique for the rational design and build‐up of arbitrarily structured and monodisperse DNA‐based 3D nanoobjects. Relying on the unsurpassed molecular programmability of sequence‐specific DNA hybridization, a long DNA single strand (termed scaffold) is assembled with many short single‐stranded oligomers (termed staples), which organize the scaffold into a 3D lattice in a single step, thereby leading to 3D nanoparticulate structures of the highest precision in high yields. Applications of 3D DNA origami are increasingly wide‐spread and interface with numerous fields of sciences, for example, anisometric or anisotropically functionalized nanoparticles, fundamental investigations of superstructure formation, biomedicine, (bio)physics, sensors, and optical materials. This Minireview discusses the fundamentals and recent advances from structure formation to selected applications, with a mission to promote cross‐disciplinary exchange.
Synthesis and characterization of copper(II) dithiocarbamate complexes involving pyrrole and ferrocenyl moieties and their utility for sensing anions and preparation of copper sulfide and copper–iron sulfide nanoparticles
Authors: Gurumoorthy Govindasamy , Thirumaran Subbiah , Ciattini Samuele
Published: April 2018

Bis(N‐(pyrrol‐2‐ylmethyl)‐N‐butyldithiocarbamato‐S,S′)copper(II) (1), bis(N‐(pyrrol‐2‐ylmethyl)‐N‐(2‐phenylethyl)dithiocarbamato‐S,S′)copper(II) (2), bis(N‐methylferrocenyl‐N‐(2‐phenylethyl)dithiocarbamato‐S,S′)copper(II) (3) and bis(N‐furfuryl‐N‐methylferrocenyldithiocarbamato‐S,S′)copper(II) (4) were prepared and characterized using elemental analysis and infrared and UV–visible spectroscopies. X‐ray diffraction (XRD) studies on 3 show that each copper centre adopts the square planar geometry by the coordination of four sulfur atoms of the metalloligand N‐methylferrocenyl‐N‐(2‐phenylethyl)dithiocarbamate. The CuS distances are symmetrical and are in the range 2.293–2.305 Å. The supramolecular architecture in complex 3 is sustained in the solid state by CH⋅⋅⋅π, CH⋅⋅⋅S, Fe⋅⋅⋅Fe and H⋅⋅⋅H interactions. Density functional theory calculations were carried out for 3. Anion (F−, Cl−, Br− and I−) binding studies with complex 1 were performed using cyclic voltammetry. Copper sulfide, copper–iron sulfide‐1 and copper–iron sulfide‐2 nanoparticles were prepared from complexes 2, 3 and 4, respectively, and they were characterized using powder XRD, transmission electron microscopy (TEM) and energy‐dispersive X‐ray, UV–visible, photoluminescence and infrared spectroscopies. TEM images of copper–iron sulfide‐1 and copper–iron sulfide‐2 reveal that the particles are spherical and oval shaped, respectively. Photocatalytic activities of as‐prepared nanoparticles were studied by decolourization of methylene blue and rhodamine‐B under UV light. It was found that copper–iron sulfide degrades methylene blue and rhodamine‐B much better than does copper sulfide.
Linear low‐density polyethylene/poly(ethylene terephthalate) blends compatibilization prepared by an eccentric rotor extruder: A morphology, mechanical, thermal, and rheological study
Authors: He He‐Zhi , Xue Feng , Jia Peng‐Fei , He Guang‐Jian , Huang Zhao‐Xia , Liu Shi‐Ming , Xue Bin
Published: April 2018

In this study, various poly(ethylene terephthalate) (PET) and linear low‐density polyethylene (LLDPE) with maleic anhydride‐grafted LLDPE (LLDPE‐g‐MAH) compatibilizer were melt blended under an elongational flow. A novel extrusion device, eccentric rotor extruder (ERE), was developed to supply such flow during the process. Including morphology, mechanical properties, melting behavior, and rheological behavior were studied. The morphological study showed that the compatibility between LLDPE and PET was greatly improved with LLDPE loading up to 80 wt %. Mechanical tests indicated that LLDPE could toughen PET to some extent. Moreover, a comparison of samples prepared between ERE and conventional extruder was made and demonstrated the sample prepared by ERE can exhibit better mechanical properties. Differential scanning calorimetry results revealed that PET can promote the crystallinity of LLDPE. Rheological behavior indicated that the complex viscosity of the blends exhibited strong shear thinning phenomenon with increasing LLDPE content, particularly in high‐frequency range blend with the LLDPE weight ratio of 80 wt % was more sensitivity to shear rate than neat LLDPE. The G′‐G″ curves of the blends also revealed that the microstructure of the blends changed significantly with the addition of LLDPE which was consistent with the scanning electron micrographs that PET particles became smaller and distributed more uniform with increasing LLDPE content. Furthermore, the blends showed similar stress relaxation mechanism with adding LLDPE content from 60 to 100 wt %. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018, 135, 46489.
A machine learning based deaf assistance digital system
Authors: Saifan Ramzi R. , Dweik Waleed , Abdel‐Majeed Mohamad
Published: April 2018

The hearing sense is one of the five senses essential for human life. The hearing sense is required to acquire language, learn how to speak, and gain general knowledge. Most importantly, hearing enables individuals to communicate and socialize with the world around them. Deaf people suffer from hearing loss which affects many aspects of their lives; they cannot communicate or socialize effectively with normal people around them. In addition, the safety of deaf people is compromised in many scenarios because they cannot take the right decision emanating from the process of analyzing sounds in the brain, especially alarming sounds. The treatment of hearing loss is dependent on its level. Medicine fails to treat many cases of severe or profound deafness; therefore, people lose hope to live normally. In this paper, we propose a Deaf Assistance Digital System (DADS) that aims to convert major alarm sounds and words which are not distinguishable by deaf people into recognizable alerts for deaf people. The proposed system strives to help deaf people live normally by alerting them about sounds like baby crying or door bell. Moreover, DADS enhances the safety of deaf people by alerting them about alarming sounds and cautionary words. DADS consists of a speech recognition engine and a sound recognition engine. The speech recognition engine is based on the Soundx algorithm while the sound recognition system is implemented using neural networks. The implemented sound recognition and voice recognition engines have more than 90% accuracy.
Chimeric Terpene Synthases Possessing both Terpene Cyclization and Prenyltransfer Activities
Authors: Mitsuhashi Takaaki , Abe Ikuro
Published: April 2018

Prenyltransferase (PT) and terpene synthase (TPS) are key enzymes in the formation of the basic carbon skeletons of terpenoids. The PTs determine the prenyl carbon chain length, whereas TPSs generate the structural complexity of the molecular scaffolds, forming various ring structures. Normally, PTs and TPSs are separate, independent enzymes. However, in 2007, a chimeric enzyme, in which the PT was fused with the TPS, was found in a fungus. Recent studies have revealed that such chimeric TPSs are widely distributed in fungi and function in the biosyntheses of various terpene natural products, including sesterterpenes, which are a relatively rare group of terpenoids. This review summarizes the accumulated knowledge of these recently discovered, unique, chimeric TPSs.
Functionalized Spiroindolines with Anticancer Activity through a Metal‐Free Post‐Ugi Diastereoselective One‐Pot Cascade Reaction
Authors: Xu Zhi‐Gang , Li Shi‐Qiang , Meng Jiang‐Ping , Tang Dian‐Yong , He Liu‐Jun , Lei Jie , Lin Hui‐Kuan , Li Hong‐Yu , Chen Zhong‐Zhu
Published: April 2018

A post‐Ugi diastereoselective one‐pot cascade reaction requiring no metal catalyst was developed. The reaction scope was wide with mild conditions and good yields. A collection of spiroindolines was prepared by the protocol and screening tests in several difficult‐to‐inhibit cancer cell lines were conducted. The relationship of structure and anticancer activities was promising and in the Huh7 cell lines compound 16 j is more potent than Vinbalstine. The cyclization design strategy could be applicable to other multicomponent reactions (MCRs) for synthesizing bioactive and drug‐like heterocycles.
Site‐Selective trans‐Hydrostannation of 1,3‐ and 1,n‐Diynes: Application to the Total Synthesis of Typhonosides E and F, and a Fluorinated Cerebroside Analogue
Authors: Mo Xiaobin , Letort Aurélien , Roşca Dragoş‐Adrian , Higashida Kosuke , Fürstner Alois
Published: April 2018

Propargyl alcohols are privileged substrates for stereochemically unorthodox trans‐hydrostannation reactions catalyzed by [Cp*RuCl]4 (Cp*=pentamethylcyclopentadienyl), because an incipient hydrogen bond between the ‐OH group and the polarized [Ru‐Cl] unit assists substrate binding. For this very reason, it is also possible to subject diyne derivatives carrying one ‐OH group to site‐selective stannylation, even if the acetylene units are conjugated and hence, electronically coupled. An unusual temperature dependence was observed in that heating tends to improve site‐selectivity, whereas per‐stannylation is favored when the reaction is carried out in the cold. This counterintuitive trend can be rationalized based on spectroscopic data; additional support comes from the isolation of the unusual bimetallic complex 11. The bridging fulvene and enynyl ligands in 11 are thought to reflect an interligand redox isomerization process likely triggered by synchronous activation of the 1,3‐diyne substrate by two metal centers. The preparative relevance of site‐selective trans‐hydrostannation is illustrated by the total synthesis of two members of the typhonoside series of glycolipids, which are endowed with neuroprotective properties. Moreover, the preparation of a fluoroalkene sphingosine analogue shows that the tin residue also serves as a versatile handle for late‐stage modification of a bioactive target compound.
Dynamic Covalent Chemistry under High‐Pressure:A New Route to Disulfide Metathesis
Authors: Sobczak Szymon , Drożdż Wojciech , Lampronti Giulio I. , Belenguer Ana M. , Katrusiak Andrzej , Stefankiewicz Artur R.
Published: April 2018

This work describes, for the first time, the application of combined pressure and temperature stimuli in disulfide metathesis reactions. In the system studied, above a pressure of 0.2 GPa, equimolar amounts of symmetric disulfides bis 4‐chlorophenyl disulfide [(4‐ClPhS)2] and bis 2‐nitrophenyl disulfide [(2‐NO2PhS)2] react to give the heterodimeric product 4‐Cl‐PhSSPh‐2‐NO2. In contrast to experiments conducted in solution at atmospheric pressure or in mechanochemical experiments under ball‐mill grinding conditions, there is no necessity to use a base or thiolate anion as a catalyst for the exchange reaction under investigated conditions. Single‐crystal and powder X‐ray diffraction revealed also that, despite the high‐pressure conditions of this reaction, the heterodimeric‐disulfide product unexpectedly crystallizes into the low‐density polymorph A. This counterintuitive result contrasts with the high‐pressure stability of the higher‐density polymorph B, confirmed by its compression up to 2.8 GPa with no signs of a phase transition.
Model‐Based Design of Energy Efficient Reactors
Authors: Päßler Frank , Freund Hannsjörg
Published: April 2018

In dieser Arbeit wird ein modellbasierter Ansatz für die Entwicklung maßgeschneiderter, energieeffizienter chemischer Reaktoren vorgestellt. Hierzu wird eine praktikable Größe zur Beschreibung der Energieeffizienz eingeführt und als Zielfunktional der Optimierung genutzt. Zur Veranschaulichung des Ansatzes und der energetischen Bewertungsgröße wird das neue Zielfunktional verwendet, um einen neuen Reaktor für die Anilinsynthese zu entwickeln. Die Energieeffizienz konnte dabei im Vergleich zu herkömmlichen industriellen Anilinreaktoren um das Doppelte gesteigert werden.
Self Assembly through Sonication: An Expeditious and Green Approach for the Synthesis of Organic‐Inorganic Hybrid Nanopetals and their Application as Biocatalyst
Authors: Dwivedee Bharat P. , Soni Surbhi , Laha Joydev K. , Banerjee Uttam C.
Published: April 2018

The present study exhibits a facile method for the expeditious synthesis of organic‐inorganic hybrid nanoassemblies. Pseudomonas fluorescens lipase was immobilized on the nanoassembly and its application as a nanobiocatalyst was demonstrated. Scanning electron microscopy analysis depicted petal‐like morphology of the newly synthesized hybrid. The sonochemical method screened as a faster route for the synthesis of hybrid nanopetals with a marked increase in enzyme activity (15 folds). Furthermore, an additional treatment of the hybrid nanopetals with chemical modifiers likes 1‐ethyl‐3‐(3‐dimethylaminopropyl)‐carbodiimide (EDC) exhibited improved stability and reusability upto six cycles. A systematic investigation of the reaction parameters influencing the formation of lipase‐embedded hybrid nanopetals was done. In addition, the nanobiocatalytic potential of hybrid nanopetals was explored in the kinetic resolution of racemic secondary alcohols.
The Effect of an Electric Field on the Spectroscopic Properties of the Isolated Green Fluorescent Protein Chromophore Anion
Authors: Langeland Jeppe , Kjær Christina , Andersen Lars H. , Brøndsted Nielsen Steen
Published: April 2018

Here we uncover the direct effect of a high electric field on the absorption by the Green Fluorescent Protein chromophore anion isolated in vacuo based on gas‐phase action spectroscopy. Betaine is a strong molecular dipole that creates an electric field of ∼70 MV/cm when attached to the ion at the phenolate oxygen, more than half the actual field from the protein matrix and pointing in the same direction. Nevertheless, the shift in absorption is limited (0.08 eV), supporting earlier conclusions, but subject to much debate, that the protein is rather innocent in perturbing the transition energy. The betaine complexes are readily made by electrospray ionization and in contrast to the bare ions, they dissociate after one‐photon absorption. Also, electron detachment is not an open channel complicating the bare ion case. As steric constraints are absent in vacuo, the possibility of turning on fluorescence by an electric field can be tested from experiments on complexes with betaine.
MCS selection exploiting femtocell utilization in multicast transmissions
Authors: Bouras Christos , Kanakis Nikolaos , Kokkinos Vasileios , Papachristos Nikolaos , Vouyioukas Demosthenes
Published: April 2018

Multicast‐Broadcast over Single Frequency Network (MBSFN) technology, as introduced by the Long Term Evolution Advanced group, is expected to be part of the upcoming cellular systems offering resource efficiency to broadcast services. MBSFN transmission is suitable to serve multicast groups searching the same content. In addition, the fast emerging technology of femtocells networks and their hybrid nature can lead to efficient resource sharing between non‐subscribed users when located inside their coverage. The focus of this manuscript is 2‐fold; firstly, we have contacted simulation experiments to compare the MBSFN transmission with the traditional Point‐To‐Point transmission for various femtocell distributions and network topology changes; secondly, a novel multicast transmissions mechanism is proposed from non‐subscribed users who exploit femtocells resources for broadcast services, without limiting user's data requirements. The simulation results lead to a significant system's performance in terms of average throughput, total capacity, and energy consumption.
Neural crest delamination and migration: Looking forward to the next 150 years
Authors: Gouignard Nadège , Andrieu Cyril , Theveneau Eric
Published: April 2018

Neural crest (NC) cells were described for the first time in 1868 by Wilhelm His. Since then, this amazing population of migratory stem cells has been intensively studied. It took a century to fully unravel their incredible abilities to contribute to nearly every organ of the body. Yet, our understanding of the cell and molecular mechanisms controlling their migration is far from complete. In this review, we summarize the current knowledge on epithelial‐mesenchymal transition and collective behavior of NC cells and propose further stops at which the NC train might be calling in the near future.
Use of two gRNAs for CRISPR/Cas9 improves bi‐allelic homologous recombination efficiency in mouse embryonic stem cells
Authors: Acosta Sandra , Fiore Luciano , Carota Isabel Anna , Oliver Guillermo
Published: April 2018

Targeted genome editing in mouse embryonic stem cells (ESCs) is a powerful resource to functionally characterize genes and regulatory elements. The use of the CRISPR/Cas9 genome editing approach has remarkably improved the time and efficiency of targeted recombination. However, the efficiency of this protocol is still far from ideal when aiming for bi‐allelic homologous recombination, requiring at least two independent targeting recombination events. Here we describe an improved protocol that uses two gRNAs flanking the selected targeted region, leading to highly efficient homologous recombination in mouse ESCs. The bi‐allelic recombination targeting efficiency is over 90% when using two gRNAs together with the inhibition of non‐homologous end‐joint repair. Moreover, this technique is compatible with the generation of knocked‐in mice and the use of ESC‐derived differentiation protocols, therefore facilitating and accelerating the gene targeting in mice and ESCs.
Development of high transferability cpSSR markers for individual identification and genetic investigation in Cupressaceae species
Authors: Huang Li‐Sha , Sun Yan‐Qiang , Jin Yuqing , Gao Qiong , Hu Xian‐Ge , Gao Fu‐Ling , Yang Xiao‐Lei , Zhu Ji‐Jun , El‐Kassaby Yousry A. , Mao Jian‐Feng
Published: April 2018

Given the low substitution rate in plastomes, the polymorphic and codominant nature of chloroplast SSRs (cpSSRs) makes them ideal markers, complementing their nuclear counterpart. In Cupressaceae, cpSSRs are mostly paternally inherited, thus, they are useful in mating systems and pollen flow studies. Using e‐PCR, 92 SSR loci were identified across six Cupressaceae plastomes, and primers were designed for 26 loci with potential interspecific transferability. The 26 developed cpSSRs were polymorphic in four genera, Platycladus, Sabina, Juniperus, and Cupressus and are suitable for Cupressaceae molecular genetic studies and utilization. We genotyped 192 Platycladus orientalis samples from a core breeding population using 10 of the developed cpSSRs and 10 nuclear SSRs, and these individuals were identified with high confidence. The developed cpSSRs can be used in (1) a marker‐assisted breeding scheme, specifically when paternity identification is required, (2) population genetics investigations, and (3) biogeography of Cupressaceae and unraveling the genetic relationships between related species.
Simple foraging rules in competitive environments can generate socially structured populations
Authors: Cantor Mauricio , Farine Damien R.
Published: April 2018

Social vertebrates commonly form foraging groups whose members repeatedly interact with one another and are often genetically related. Many species also exhibit within‐population specializations, which can range from preferences to forage in particular areas through to specializing on the type of prey they catch. However, within‐population structure in foraging groups, behavioral homogeneity in foraging behavior, and relatedness could be outcomes of behavioral interactions rather than underlying drivers. We present a simple process by which grouping among foragers emerges and is maintained across generations. We introduce agent‐based models to investigate (1) whether a simple rule (keep foraging with the same individuals when you were successful) leads to stable social community structure, and (2) whether this structure is robust to demographic changes and becomes kin‐structured over time. We find the rapid emergence of kin‐structured populations and the presence of foraging groups that control, or specialize on, a particular food resource. This pattern is strongest in small populations, mirroring empirical observations. Our results suggest that group stability can emerge as a product of network self‐organization and, in doing so, may provide the necessary conditions for the evolution of more sophisticated processes, such as social learning. This taxonomically general social process has implications for our understanding of the links between population, genetic, and social structures.
Configurationally Stable (S)‐ and (R)‐α‐Methylproline‐Derived Ligands for the Direct Chemical Resolution of Free Unprotected β3‐Amino Acids
Authors: Zhou Shengbin , Wang Shuni , Wang Jiang , Nian Yong , Peng Panfeng , Soloshonok Vadim A. , Liu Hong
Published: April 2018

Reported herein is a chemical method for the direct resolution of unprotected racemic β‐substituted‐β‐amino acids (β3‐AAs) that uses specially designed, stable, and recyclable α‐methylproline‐derived chiral ligands. The versatility of this methodology is unmatched by biocatalytic approaches. The method shows a broad synthetic generality for various aryl‐ or alkyl‐substituted β3‐AAs, and the new nonracemizable ligands can be accessed readily. Furthermore, the presented method produces an excellent stereochemical outcome and has a fully recyclable source of chirality, and the reaction conditions are operationally simple and convenient. The procedure has also been successfully applied to the scalable synthesis of the anti‐HIV drug maraviroc.
Behavioural, morphological and electrophysiological assessment of the effects of type 2 diabetes mellitus on large and small nerve fibres in Zucker diabetic fatty, Zucker lean and Wistar rats
Authors: Garcia‐Perez E. , Schönberger T. , Sumalla M. , Stierstorfer B. , Solà R. , Doods H. , Serra J. , Gorodetskaya N.
Published: April 2018

Background

Peripheral neuropathy is a common complication in type 2 diabetes mellitus (T2DM). The most common presentation is in the form of a distal axonal sensory‐motor polyneuropathy that involves large and small nerve fibres in variable proportion.

Methods

Zucker Diabetic Fatty (ZDF), Zucker Lean (ZL) and Wistar Han (WH) rats were used to assess the behavioural, morphological and electrophysiological effects that T2DM have on peripheral large and small nerve fibres of 6‐ to 40‐week‐old rats.

Results

ZDF rats presented mechanical hypersensitivity that initially worsened in parallel to the progression of diabetes and eventually reverted at later stages of the disease. The reversal from hypersensitivity to hyposensitivity paralleled a reduction in the number of intraepithelial skin nerve terminals and in the nerve fibre lengths. However, no increased levels of degeneration of dorsal root ganglion neurons were observed. Nerve conduction studies showed a reduction in sensory and motor nerve conduction velocity (CV) in hyperglycaemic ZDF rats. Microneurography showed significant alterations in several parameters of activity‐dependent slowing (ADS) of mechano‐insensitive C‐nociceptors in ZDF rats. Surprisingly, some of these changes were also observed in ZL rats. Moreover, we found spontaneous activity in all three strains implying that C‐nociceptors become hyperexcitable and spontaneously active not only in ageing hyperglycaemic ZDF rats but also in age‐matched and apparently normoglycaemic ZL and WH rats fed with the same diet.

Conclusions

ZDF rats presented a diabetic neuropathy involving large and small nerve fibres; additionally, ZL and WH rats also showed early small abnormalities in C‐fibres, clearly detected by microneurography

Significance

This study provides a functional description of large and small nerve fibre function in a diabetic model that recapitulates many of the findings observed in patients suffering from type 2 diabetes mellitus.
Occupational functional plasticity revealed by brain entropy: A resting‐state fMRI study of seafarers
Authors: Wang Nizhuan , Wu Huijun , Xu Min , Yang Yang , Chang Chunqi , Zeng Weiming , Yan Hongjie
Published: April 2018

Recently, functional magnetic resonance imaging (fMRI) has been increasingly used to assess brain function. Brain entropy is an effective model for evaluating the alteration of brain complexity. Specifically, the sample entropy (SampEn) provides a feasible solution for revealing the brain's complexity. Occupation is one key factor affecting the brain's activity, but the neuropsychological mechanisms are still unclear. Thus, in this article, based on fMRI and a brain entropy model, we explored the functional complexity changes engendered by occupation factors, taking the seafarer as an example. The whole‐brain entropy values of two groups (i.e., the seafarers and the nonseafarers) were first calculated by SampEn and followed by a two‐sample t test with AlphaSim correction (p < .05). We found that the entropy of the orbital‐frontal gyrus (OFG) and superior temporal gyrus (STG) in the seafarers was significantly higher than that of the nonseafarers. In addition, the entropy of the cerebellum in the seafarers was lower than that of the nonseafarers. We conclude that (1) the lower entropy in the cerebellum implies that the seafarers’ cerebellum activity had strong regularity and consistency, suggesting that the seafarer's cerebellum was possibly more specialized by the long‐term career training; (2) the higher entropy in the OFG and STG possibly demonstrated that the seafarers had a relatively decreased capability for emotion control and auditory information processing. The above results imply that the seafarer occupation indeed impacted the brain's complexity, and also provided new neuropsychological evidence of functional plasticity related to one's career.
The effects of acute alcohol withdrawal on sleep
Authors: Hodges Christopher J. , Ogeil Rowan P. , Lubman Dan I.
Published: April 2018

Objectives

Although sleep disturbances are prominent during alcohol withdrawal, less is known about the specific components of sleep that are disturbed prior to and during acute detoxification. This study aimed to determine whether specific sleep components are affected prior to and during acute detoxification and their relationship to psychological distress.

Methods

Twenty‐nine participants were recruited from a residential detoxification service in Melbourne, Australia, and completed both subjective methods of sleep and distress, in addition to wearing an actigraphy device.

Results

Daytime dysfunction, sleep quality, and sleep disturbances were the components that were most disturbed in the month prior to admission, and poor sleep efficiency was detected during acute withdrawal using actigraphy. A significant association was found between sleep and psychological distress in this group.

Conclusions

Specific disturbances in sleep are experienced prior to and during acute alcohol withdrawal, suggesting that tailored interventions may be effective in the treatment of sleep deficits during these periods.
Molecular characteristics of antimicrobial resistance and virulence determinants of Staphylococcus aureus isolates derived from clinical infection and food
Authors: Luo Kui , Shao Fuye , Kamara Kadijatu N. , Chen Shuaiyin , Zhang Rongguang , Duan Guangcai , Yang Haiyan
Published: April 2018

Background

Staphylococcus aureus (S. aureus) is an important human etiologic agent. An investigation of the characteristics of common genotypes of S. aureus relating to pathogenicity and antibiotic resistance may provide a foundation to prevent infection.

Methods

This study collected 275 S. aureus isolates from Zhengzhou city in China, including 148 isolates from patient samples and 127 isolates from ready‐to‐eat food samples. Antimicrobial susceptibility testing was performed using the broth dilution method. Molecular characteristics of antimicrobial resistance, virulence, and genotypes were identified by polymerase chain reaction (PCR).

Results

In total, 34.18% (94/275) of S. aureus isolates were MRSA. Compared with food isolates, clinical isolates had significantly higher antibiotic resistance rates, carrying resistance genes such as acc(6′)/aph(2′), aph(3′)‐III, ermA, and ermB and virulence genes such as tetM, sea, seb, pvl, and etb. MRSA‐t030‐agrI‐SCCmecIII and MSSA‐t002‐agrII were the most common strain types among clinical strains, and MRSA‐t002‐agrII‐SCCmecIII and MSSA‐t002‐agrII were the most common strain types among food strains. Additionally, some strains in the agr group were also spa type‐specific, suggesting that there may be phenotypic consistency.

Conclusion

Clinical isolates contained higher numbers of resistance genes and demonstrated higher antibiotic resistance, while 2 source strains exhibited high toxicity. These results indicate that bacteria with different origins may have undergone different evolutionary processes. As resistance and virulence factors in food bacteria can be transmitted to humans, food handlers should strictly follow hygienic measures during food production to ensure the safety of human consumers.
The application of convergent beam electron diffraction (CBED) analysis on transformation‐induced plasticity (TRIP) steels
Authors: Tsai Shao‐Pu , Tsai Shih‐Ning , Tsai Yu‐Ting , Chen Yu‐Wen , Tung Po‐Yen , Yang Jer‐Ren , Chen Hsueh‐Ren , Chen Chih‐Yuan , Wang Yuan‐Tsung , Huang Ching‐Yuan
Published: April 2018

Convergent beam electron diffraction (CBED) in transmission electron microscopy (TEM) was applied to determine local carbon concentrations in low‐carbon transformation‐induced plasticity (TRIP) steels. High‐order Laue‐zone (HOLZ) lines were experimentally obtained for comparison with simulation results. A new procedure for calculating carbon content is thus proposed. Retained austenite (RA) is classified into three types by morphology; the relationship between the carbon content and the corresponding RA morphology is discussed based on CBED results. Furthermore, results of X‐Ray diffractometry measurements are also used for comparison.
Ant diversity as a direct and indirect driver of pselaphine rove beetle (Coleoptera: Staphylinidae) functional diversity in tropical rainforests, Sabah, Malaysian Borneo
Authors: Psomas Elizabeth , Holdsworth Sholto , Eggleton Paul
Published: April 2018

Pselaphinae is a species‐rich beetle subfamily found globally, with many exhibiting myrmecophily—a symbiotic association with ants. Pselaphine–ant associations vary from facultative to obligate, but direct behavioral observations still remain scarce. Pselaphines are speciose and ecologically abundant within tropical leaf litter invertebrate communities where ants dominate, implying a potentially important ecological role that may be affected by habitat disturbances that impact ants. In this study, we measured and analyzed putative functional traits of leaf litter pselaphines associated with myrmecophily through morphometric analysis. We calculated “myrmecophile functional diversity” of pselaphines at different sites and examined this measure's relationship with ant abundance, in both old growth and logged rainforest sites in Sabah, Borneo. We show that myrmecophile functional diversity of pselaphine beetles increases as ant abundance increases. Old growth rainforest sites support a high abundance of ants, which is associated with a high abundance of probable myrmecophilous pselaphines. These results suggest a potential link between adult morphological characters and the functional role these beetles play in rainforest litter as ecological interaction partners with ants.
Diagnostic performance of diffusion‐weighted imaging for differentiating benign and malignant gallbladder lesions: A systematic review and meta‐analysis
Authors: You Myung‐Won , Yun Seong Jong
Published: April 2018

Background

Although diffusion‐weighted imaging (DWI) has been characterized as an alternative imaging modality for gallbladder (GB) lesions, it has not been routinely used in clinical practice because of relatively low signal‐to‐noise ratio.

Purpose

To assess the sensitivity and specificity of the diagnostic performance of DWI for differentiating benign and malignant GB lesions.

Study Type

Meta‐analysis.

Population

Patients with GB lesions.

Field Strength/Sequence

DWI at 3.0T or 1.5T.

Assessment

PubMed and EMBASE were searched following the Preferred Reporting Items for Systematic Reviews and Meta‐Analyses of Diagnostic Test Accuracy guidelines.

Statistical Tests

Bivariate modeling and hierarchical summary receiver operating characteristic (HSROC) modeling were performed to compare the overall diagnostic performance of DWI. Subgroup analyses were performed for qualitative and quantitative assessment of the DWI. Meta‐regression analyses were performed according to the characteristics of the patients, study, and MRI.

Results

Eight studies (including 557 patients) were included. The DWI exhibited a pooled sensitivity of 91%, a pooled specificity of 87%, and HSROC of 0.95. In subgroup analyses, qualitative assessment (sensitivity, 90%; specificity, 87%; HSROC, 0.94) was more accurate than quantitative assessment (sensitivity, 82%; specificity, 86 %; HSROC, 0.88). On meta‐regression analysis, studies that used 3.0T field strength and thinner slices (≤5 mm) reported a significantly higher sensitivity (P ≤ 0.02) than those using only 1.5T field strength and thicker slices (>5 mm).

Data Conclusion

DWI can discriminate malignant from benign GB lesions with excellent diagnostic performance in both qualitative and quantitative assessments. To enhance the diagnostic ability of DWI, images obtained with thinner slices (≤5 mm) with 3T field strength and qualitative assessment are recommended.

Level of Evidence: 3

Technical Efficacy: Stage 2

J. Magn. Reson. Imaging 2018;47:1375–1388.
Chip‐based high resolution tandem mass spectrometric determination of fibroblast growth factor—chondroitin sulfate disaccharides noncovalent interaction
Authors: Robu Adrian C. , Popescu Laurentiu , Seidler Daniela G. , Zamfir Alina D.
Published: April 2018

Fibroblast growth factor‐2 (FGF‐2) is involved in wound healing and embryonic development. Glycosaminoglycans (GAGs), the major components of the extracellular matrix (ECM), play fundamental roles at this level. FGF‐GAG noncovalent interactions are in the focus of research, due to their influence upon cell proliferation and tissue regeneration. Lately, high resolution mass spectrometry (MS) coupled with chip‐nanoelectrospray (nanoESI) contributed a significant progress in glycosaminoglycomics by discoveries related to novel species and their characterization. We have employed a fully automated chip‐nanoESI coupled to a quadrupole time‐of‐flight (QTOF) MS for assessing FGF‐GAG noncovalent complexes. For the first time, a CS disaccharide was involved in a binding assay with FGF‐2. The experiments were conducted in 10 mM ammonium acetate/formic acid, pH 6.8, by incubating FGF‐2 and CS in buffer. The detected complexes were characterized by top‐down in tandem MS (MS/MS) using collision induced‐dissociation (CID). CID MS/MS provided data showing for the first time that the binding process occurs via the sulfate group located at C4 in GalNAc. This study has demonstrated that chip‐MS may generate reliable data upon the formation of GAG‐protein complexes and their structure. Biologically, the findings are relevant for studies focused on the identification of the active domains in longer GAG chains.
Field remote Stokes/anti‐Stokes Raman characterization of sulfur in hydrothermal vents
Authors: Guimbretière G. , Duraipandian S. , Ricci T.
Published: April 2018

To study the dynamics of active volcanic environments, minerals involved in fresh lava flows are a nice probe and Raman spectroscopy is an excellent tool for their characterization. Because of the highly hostile environment linked to volcanic activity, studying lava cooling and weathering needs remote setups and specific procedures dedicated to medium‐high temperature targets. In this paper, we present the remote Raman characterization of sulfur produce by the fumarolic activity at Solfatara crater (Phlegraean Fields, Italy). Two medium temperature sites (280–380 K) were probed with two different Raman setups. For both, β‐sulfur is the prominent type in the entire temperature range and the absolute local temperature of the sulfur was remotely estimated by mean of a Stokes/anti‐Stokes procedure with ±10 K uncertainty. These results represent a good starting point for the development of new setups and protocols aimed to an increase of both measurement distance and temperature range.
Phenolic compounds can delay the oxidation of polyunsaturated fatty acids and the growth of Listeria monocytogenes: structure‐activity relationships
Authors: Pernin Aurélia , Dubois‐Brissonnet Florence , Roux Stéphanie , Masson Marine , Bosc Véronique , Maillard Marie‐Noëlle
Published: April 2018

BACKGROUND

Phenolic compounds present a potential solution to ensure food quality and safety. Indeed, they can limit oxidation reactions and bacterial growth in food products. Although their antioxidant mechanisms of action are well known, their antibacterial ones are less well understood, especially in light of their chemical structures. The aim of this study was first to quantify both aspects of a series of natural phenolic compounds and then link these activities to their chemical structure.

RESULTS

We evaluated antioxidant activity by measuring the capacity of phenolic compounds to delay free linoleic acid oxidation caused by the action of a hydrophilic azo‐radical initiator (AAPH). We evaluated antibacterial activity by measuring the growth inhibition of Listeria monocytogenes and determining the non‐inhibitory and minimum inhibitory concentrations for each compound. Compounds with ortho‐diphenolic structures were the best antioxidants, whereas those belonging to the simple phenol category were the best antibacterial compounds.

CONCLUSION

The physico‐chemical properties of the compounds influenced both activities but not in the same way. The chemical environment of the phenolic group and the presence of delocalization structures are the most important parameters for antioxidant activity, whereas the partition coefficient, logP, is one of the most important factors involved in antibacterial activity. © 2018 Society of Chemical Industry
High‐temperature thin‐film barriers for foldable AMOLED displays
Authors: Akkerman Hylke B. , Pendyala Raghu K. , Panditha Pradeep , Salem Ahmed , Shen Jie , van de Weijer Peter , Bouten Piet C.P. , de Winter Suzanne H.P.M. , van Diesen‐Tempelaars Karin , de Haas Gerard , Steudel Soeren , Huang Ching‐Yu , Lai Ming‐Hsiang , Huang Yen‐Yu , Yeh Ming‐Hua , Kronemeijer Auke Jisk , Poodt Paul , Gelinck Gerwin H.
Published: April 2018

We present a thin‐film dual‐layer bottom barrier on polyimide that is compatible with 350°C backplane processing for organic light‐emitting diode displays and that can facilitate foldable active‐matrix organic light‐emitting diode devices with a bending radius of <2 mm. We demonstrate organic light‐emitting diodes that survive bending over 0.5 mm radius for 10.000× based on the high‐temperature bottom barrier. Furthermore, we show compatibility of the bottom barrier with the backplane process by fabricating active‐matrix organic light‐emitting diode displays on GEN1‐sized substrates.
Synthesis of a molecularly imprinted polymer on mSiO2@Fe3O4 for the selective adsorption of atrazine
Authors: Li Xin , Ma Xiaoguo , Huang Renfeng , Xie Xiaowen , Guo Lihui , Zhang Mengyuan
Published: April 2018

Atrazine contamination of water is of considerable concern because of the potential hazard to human health. In this study, a magnetic molecularly imprinted polymer for atrazine was prepared by the surface‐imprinting technique using Fe3O4 as the core, mesoporous silica as the carrier, atrazine as the template, and itaconic acid as the functional monomer. The magnetic molecularly imprinted polymer was characterized by Fourier‐transform infrared spectroscopy, scanning electron microscopy, X‐ray diffraction, and vibration‐sample magnetometry. The binding properties of the magnetic molecularly imprinted polymer toward atrazine were investigated by adsorption isotherms, kinetics, and competitive adsorption. It was found that the adsorption equilibrium was achieved within 2 h, the maximum adsorption capacity of atrazine was 8.8 μmol/g, and the adsorption process could be well described by the Langmuir isotherm model and pseudo‐second‐order kinetic model. The magnetic molecularly imprinted polymer exhibited good adsorption selectivity for atrazine with respect to structural analogues, such as cyanazine, simetryne, and prometryn. The reusability of the magnetic molecularly imprinted polymer was demonstrated for at least five repeated cycles without a significant decrease in adsorption capacity. These results suggested that the magnetic molecularly imprinted polymer could be used as an efficient material for the selective adsorption and removal of atrazine from water samples.