bluuebunny/crossref_metadata_2025 huggingface dataset:
Mini review: Instrumentation for vibrational circular dichroism spectroscopy, still a role for dispersive instruments
Authors: Keiderling Timothy A. , Lakhani Ahmed
Published: January 2018

Vibrational circular dichroism (VCD) has become a standard method for determination of absolute stereochemistry, particularly now that reliable commercial instrumentation has become available. These instruments use a now well‐documented Fourier transform infrared‐based approach to measure VCD that has virtually displaced initial dispersive infrared‐based designs. Nonetheless, many papers have appeared reporting dispersive VCD data, especially for biopolymers. Instrumentation designed with these original methods, particularly after more recent updates optimizing performance in selected spectral regions, has been shown still to have advantages for specific applications. This article presents a mini‐review of dispersive VCD instrument designs and includes sample spectra obtained for various biopolymer (particularly peptide) samples. Complementary reviews of Fourier transform‐VCD designs are broadly available.
New tools and resources in metabolomics: 2016–2017
Authors: Misra Biswapriya B.
Published: January 2018

Rapid advances in mass spectrometry (MS) and nuclear magnetic resonance (NMR)‐based platforms for metabolomics have led to an upsurge of data every single year. Newer high‐throughput platforms, hyphenated technologies, miniaturization, and tool kits in data acquisition efforts in metabolomics have led to additional challenges in metabolomics data pre‐processing, analysis, interpretation, and integration. Thanks to the informatics, statistics, and computational community, new resources continue to develop for metabolomics researchers. The purpose of this review is to provide a summary of the metabolomics tools, software, and databases that were developed or improved during 2016–2017, thus, enabling readers, developers, and researchers access to a succinct but thorough list of resources for further improvisation, implementation, and application in due course of time.
A scalable traffic engineering technique in an SDN‐based data center network
Authors: Bastam Mostafa , Sabaei Masoud , Yousefpour Ruhollah
Published: January 2018

Data center has recently emerged as a common infrastructure that includes numerous servers and host diversity of applications and cloud‐based services. In this paper, a dynamic method is proposed for traffic engineering in software‐defined data center networks helping to design an optimal demand‐path mapping with a tolerable computational complexity. To achieve the aim of this study, we used a linear programming to define the problem statement and then modeled the problem as a Path‐based multicommodity flow. To reduce time complexity, first, a decomposition technique is used to divide the problem model into smaller subproblems, which are then solved simultaneously by applying parallelizing techniques (ie, multiple‐core computing and OpenMP). Next, a suitable iterative algorithm is utilized to quickly converge subproblem solutions leading to an answer to the master problem. Simulation results show that solving time is considerably improved compared with a number of reported schemes devoted to this topic. In addition, implementing the proposed method serially yields an optimum solution, which takes significantly shorter time to reach than that of the generic (the LP model that is not decomposed) approach.
An immersed boundary/wall modeling method for RANS simulation of compressible turbulent flows
Authors: Pu T. M. , Zhou C. H.
Published: January 2018

In this paper, an immersed boundary (IB) method is developed to simulate compressible turbulent flows governed by the Reynolds‐averaged Navier‐Stokes equations. The flow variables at the IB nodes (interior nodes in the immediate vicinity of the solid wall) are evaluated via linear interpolation in the normal direction to close the discrete form of the governing equations. An adaptive wall function and a 2‐layer wall model are introduced to reduce the near‐wall mesh density required by the high resolution of the turbulent boundary layers. The wall shear stress modified by the wall modeling technique and the no‐penetration condition are enforced to evaluate the velocity at an IB node. The pressure and temperature at an IB node are obtained via the local simplified momentum equation and the Crocco‐Busemann relation, respectively. The SST k − ω and S‐A turbulence models are adopted in the framework of the present IB approach. For the Shear‐Stress Transport (SST) k − ω model, analytical solutions in near‐wall region are utilized to enforce the boundary conditions of the turbulence equations and evaluate the turbulence variables at an IB node. For the S‐A model, the turbulence variable at an IB node is calculated by using the near‐wall profile of the eddy viscosity. In order to validate the present IB approach, numerical experiments for compressible turbulent flows over stationary and moving bodies have been performed. The predictions show good agreements with the referenced experimental data and numerical results.
Accelerated degradation rate of AZ31 magnesium alloy by copper additions
Authors: Zhou Miao , Liu Chuming , Xu Shiyuan , Gao Yonghao , Jiang Shunong
Published: January 2018

Corrosion property of AZ31‐xCu (x = 0, 0.5, 1.5, 3 wt%) alloys has been investigated using scanning electron microscope (SEM) equipped with energy dispersive spectroscope (EDS), X‐ray diffractometer (XRD), immersion tests, and electrochemical measurements. The results indicate that the content of AlCuMg phase, main secondary phase in the Cu‐containing alloys, is positively dependent on copper concentration. Acceleration of corrosion rate is found in Cu‐containing alloys due to micro‐galvanic corrosion. AlCuMg phase acts as micro‐galvanic cathode against anodic magnesium matrixes. In this regard, the degradation rate is decreasing in the following order: AZ31‐3Cu > AZ31‐1.5Cu > AZ31‐0.5Cu > AZ31.
Fourier transforms of irregular mixed homogeneous hypersurface measures
Authors: Greenblatt Michael
Published: January 2018

With the help of Van der Corput lemmas, decay estimates are proven for Fourier transforms of mixed homogeneous hypersurface measures with densities that can be quite irregular. The primary results are local in nature, but can be extended to global theorems in an appropriate sense. The estimates are sharp for a certain range of indices in the theorems.
Indirect stability of the wave equation with a dynamic boundary control
Authors: Mercier Denis , Nicaise Serge , Sammoury Mohamad Ali , Wehbe Ali
Published: January 2018

In this paper, we consider a damped wave equation with a dynamic boundary control. First, combining a general criteria of Arendt and Batty with Holmgren's theorem we show the strong stability of our system. Next, we show that our system is not uniformly stable in general, since it is the case for the unit disk. Hence, we look for a polynomial decay rate for smooth initial data for our system by applying a frequency domain approach. In a first step, by giving some sufficient conditions on the boundary of our domain and by using the exponential decay of the wave equation with a standard damping, we prove a polynomial decay in of the energy. In a second step, under appropriated conditions on the boundary, called the multiplier control conditions, we establish a polynomial decay in of the energy. Later, we show in a particular case that such a polynomial decay is available even if the previous conditions are not satisfied. For this aim, we consider our system on the unit square of the plane. Using a method based on a Fourier analysis and a specific analysis of the obtained 1‐d problems combining Ingham's inequality and an interpolation method, we establish a polynomial decay in of the energy for sufficiently smooth initial data. Finally, in the case of the unit disk, using the real part of the asymptotic expansion of eigenvalues of the damped system, we prove that the obtained decay is optimal in the domain of the operator.
A Facile and General Approach to Recoverable High‐Strain Multishape Shape Memory Polymers
Authors: Li Xingjian , Pan Yi , Zheng Zhaohui , Ding Xiaobin
Published: January 2018

Fabricating a single polymer network with no need to design complex structures to achieve an ideal combination of tunable high‐strain multiple‐shape memory effects and highly recoverable shape memory property is a great challenge for the real applications of advanced shape memory devices. Here, a facile and general approach to recoverable high‐strain multishape shape memory polymers is presented via a random copolymerization of acrylate monomers and a chain‐extended multiblock copolymer crosslinker. As‐prepared shape memory networks show a large width at the half‐peak height of the glass transition, far wider than current classical multishape shape memory polymers. A combination of tunable high‐strain multishape memory effect and as high as 1000% recoverable strain in a single chemical‐crosslinking network can be obtained. To the best of our knowledge, this is the first thermosetting material with a combination of highly recoverable strain and tunable high‐strain multiple‐shape memory effects.
Theoretische Chemie ‐‐ mehr als Quantenchemie
Authors: Peter Emanuel Karl , Klamt Andreas , Kirsten Guido , John Peter E. , Haase Dietrich , Bartel Hans‐Georg
Published: January 2018

Neue Fragen der experimentellen Chemie, Präzisierung theoretischer Vorstellungen sowie Diversifizierung und Verbesserung von Methoden bringen die theoretische Chemie voran, sodass sie sich zu einer Theorie der Chemie weiterentwickelt; sie profitiert dabei von Fortschritten in Mathematik, Physik und Informatik sowie von neuen Algorithmen. Ein Überblick anhand von Beispielen.
Neue Funktionalitäten über Hohlräume
Authors: Akintola Oluseun , Plass Winfried
Published: January 2018

Poröse Koordinationspolymere mit anionischen Netzwerken benötigen zum Ladungsausgleich Kationen in ihren Hohlräumen. Gerade wegen dieser Ionen gibt es viele Möglichkeiten, die Eigenschaften der Moleküle zu variieren.
11. Watoc‐Kongress – über 1500 theoretische Chemiker trafen sich in München
Authors: Jagau Thomas‐C. , Burow Asbjörn M.
Published: January 2018

Ende August 2017 fand in München der 11th Triennial Congress of the World Association of Theoretical and Computational Chemists (Watoc) statt. Organisiert wurde die Veranstaltung unter Federführung von Christian Ochsenfeld von der LMU München. 1520 Wissenschaftler aus 62 Ländern nahmen teil – die größte Konferenz, die es weltweit jemals in der theoretischen Chemie gegeben hat. 363 Vorträge und über 920 Poster beschäftigten sich mit mathematischen Grundlagen und neuen Rechenverfahren sowie Anwendungen aus allen Gebieten der Chemie und ihrer Nachbarwissenschaften und zeigten, wie wichtig die Theorie für alle chemischen Fächer geworden ist.
Kreuzkuppeln mit Palladium(I)‐Dimeren
Authors: Jansen Dennis , Kohlhaas Martha , Niemeyer Jochen
Published: January 2018

Um C‐C‐ oder C‐Heteroatom‐Bindungen zu knüpfen, eignen sich auch halogenidverbrückte Palladium(I)‐Dimere anstelle von Palladium(0)‐ oder Palladium(II)‐Vorläufern. Mit diesen Palladium(I)‐Komplexen lassen sich Kreuzkupplungen in hohen Chemoselektivitäten und sogar an Luft durchführen.
Die Energiewende als Lehrstoff
Authors: Heinzerling Peter
Published: January 2018

Wenn Chemieunterricht aktuelle Themen aufgreifen soll, kommt er um Fragen der Energieerzeugung und ‐speicherung nicht herum. Das Themenfeld betrifft allerdings auch nichtnaturwissenschaftliche Schulfächer, da der Energiewende eine politische Entscheidung zugrunde liegt.
A randomized controlled study of the effect of ifenprodil on alcohol use in patients with alcohol dependence
Authors: Sugaya Nagisa , Ogai Yasukazu , Aikawa Yuzo , Yumoto Yosuke , Takahama Mihoko , Tanaka Miho , Haraguchi Ayako , Umeno Mitsuru , Ikeda Kazutaka
Published: January 2018

Aim

This prospective, randomized, controlled, rater‐blinded study investigated the effect of G protein‐activated inwardly rectifying potassium (GIRK) channel inhibitor ifenprodil on alcohol use in patients with alcohol dependence.

Methods

The participants were 68 outpatients with alcohol dependence who were assigned to an ifenprodil group (administered 60 mg ifenprodil per day for 3 months) or control group (administered 600 mg ascorbic acid and calcium pantothenate per day for 3 months). The participants completed a questionnaire that included the frequency of alcohol drinking and presence of heavy drinking before the study period (time 1) and 3 months after the start of the study period (time 2). The alcohol use score was calculated using these two items.

Results

Valid data were obtained from 46 participants (25 in the ifenprodil group and 21 in the control group). The alcohol use score at time 2 in the ifenprodil group was significantly lower than that in the control group after adjusting for the score at time 1 and some covariates. The intention‐to‐treat analysis of multiply imputed datasets indicated similar results. Group differences in the frequency of alcohol drinking were significant in the multiply imputed datasets but not in 46 participants. The ifenprodil group had a significantly lower rate of heavy drinking at time 2 than the control group.

Conclusions

This study found an inhibitory effect of ifenprodil on alcohol use in patients with alcohol dependence. The results support the hypothesis that GIRK channel inhibitors ameliorate alcohol dependence.

Trial registry

This trial was registered in the UMIN clinical trial registry (UMIN000006347).
A pharmacogenetics approach to pain management
Authors: Yoshida Kaori , Nishizawa Daisuke , Ide Soichiro , Ichinohe Tatsuya , Fukuda Ken‐ichi , Ikeda Kazutaka
Published: January 2018

Introduction

Opioid analgesics are widely used as effective analgesics for the treatment of moderate‐to‐severe pain. However, the analgesic efficacy of opioids is well known to vary widely among individuals, and effective pain treatment is hampered by vast individual differences. Although these differences in opioid requirements have been attributed to various factors, genetic factors are becoming increasingly relevant to the development of genome science.

Aim

This review covers the association between opioid analgesic requirements and particularly gene polymorphisms.

Future perspectives

Personalized pain treatment has begun using prediction formulas based on associated gene polymorphisms. Improvements in personalized pain treatment are expected as scientific knowledge further expands in the future.
Bidirectional brain‐gut interactions: Involvement of noradrenergic transmission within the ventral part of the bed nucleus of the stria terminalis
Authors: Ide Soichiro , Yamamoto Ryuta , Takeda Hiroshi , Minami Masabumi
Published: January 2018

Introduction

Although the important roles of bidirectional interactions between the brain and gut in stress and emotional responses have long been recognized, the underlying neuronal mechanisms remain unclear. The bed nucleus of the stria terminalis (BNST) is a limbic structure involved in stress responses and negative affective states, such as anxiety and depression. We have previously demonstrated that noradrenergic transmission within the ventral part of the BNST (vBNST) plays a crucial role in anxiety‐like behaviors and pain‐induced aversion.

Objectives

This study aimed to examine the involvement of noradrenergic transmission via β‐adrenoceptors within the vBNST in bidirectional brain‐gut interactions.

Methods

We measured the gastric distention (GD)‐induced noradrenaline release within the vBNST of freely moving rats using an in vivo microdialysis technique. Gastric emptying and intestinal transit were examined following intra‐vBNST injections of isoproterenol, a β‐adrenoceptor agonist, in the absence or presence of the coadministration of timolol, a β‐adrenoceptor antagonist.

Results

Gastric distention at a higher pressure (45 mm Hg) but not at a lower pressure (25 mm Hg) resulted in a significant increase in extracellular noradrenaline levels within the vBNST. Intra‐vBNST injections of isoproterenol (30 nmol/side) induced significant reductions in gastric emptying and small intestinal transit, both of which were reversed by the coadministration of timolol (30 nmol/side).

Conclusion

Noradrenergic transmission via β‐adrenoceptors within the vBNST was involved in bidirectional brain‐gut interactions. These findings suggest that gastric dysfunction may induce negative affective states via the enhanced release of noradrenaline within the vBNST which, in turn, may cause gastrointestinal impairments.
The emerging significance of secondary germline testing in cancer genomics
Authors: Mandelker Diana , Zhang Liying
Published: January 2018

Many clinical laboratories now sequence the tumors from advanced cancer patients to identify oncogenic drivers and guide targeted therapies and clinical trials. One limitation of tumor sequencing is that it cannot distinguish between tumor‐specific somatic (acquired) mutations and patients' germline (constitutional) variants. To definitively identify somatic variants, some clinical labs sequence both a normal sample from a patient and their tumor to subtract the germline variants from the somatic variants. Having a paired normal sample also allows for the identification of secondary germline mutations in cancer patients who may not meet the current clinical guidelines for genetic testing of cancer predisposition syndromes. Such simultaneous detection of somatic alterations and germline mutations during tumor–normal sequencing can guide therapeutic decision making for cancer patients and the identification and screening of at‐risk family members. Here, we review the clinical workflow, advantages and disadvantages, and clinical utility of tumor–normal sequencing in the management of cancer patients. Copyright © 2018 Pathological Society of Great Britain and Ireland. Published by John Wiley & Sons, Ltd.
Viana analysiert Bewegungen
Authors: Becker Sebastian , Klein Pascal , Kuhn Jochen , Wilhelm Thomas
Published: January 2018

Videoanalysen von Bewegungen sind heute weit verbreitet – in der Sportwissenschaft, im Physikunterricht und im Physikstudium. Eine App für iPads ist Viana.
Elektronik statt Lokomotivenbau
Authors: Loos Andreas
Published: January 2018

Es gab einmal eine Zeit, da gingen auf Kern‐ und Teilchenphysiker fast mehr Nobelpreise hernieder als Sonnenneutrinos. Der Gesuchte selbst wird mit dem Nobelpreis für Physik geehrt, ebenso sechs seiner Assistenten. Zwei weitere Schüler erhalten Chemie‐Nobelpreise. Und dreimal dürfen sie raten, womit der eigene Sohn des Gesuchten (einunddreißig Jahre nach dem Papa) ausgezeichnet wird? Richtig: Mit einem Nobelpreis, für Physik.
Sucre indigèneandsucre colonial: Reconsidering the splitting of the French national sugar market, 1800–1860
Authors: Yarrington Jonna M.
Published: January 2018

In the early 1800s, the French beet sugar industry was established to provide sugar autarky for France. From the beginning, it competed with French Caribbean cane sugar. Over sixty years, the two complexes produced their own blocs that coexisted and split the French national sugar market, both claiming rights to governmental protection. This article argues that reconsidering the sugar question provides evidence for a shift in the political–economic concept of colony, drawing on pamphlets from the 1830s and 1840s as well as relevant secondary historiography. The blocs struggled over definitions of protection, indemnity, and, ultimately, the relationship of colony and nation. The splitting of the market thus amounted to a rupture of colonies from metropole, which provides an underplayed colonial dimension to economic liberalization and a history of liberal precepts quietly at work in the developing rift. The questiondes sucresbears witness to a fraught disintegration—symbolic, political, and economic—of the oldest French colonies from the nation that had built them.
Influence of Metal Fragment Mobility and Solution Dynamics on Cationic Rearrangements in Multimetallic Alkoxide Frameworks
Authors: Hegemann Corinna , Heidemann Tim , Pantenburg Ingo , Mathur Sanjay
Published: January 2018

Multimetallic alkoxides show manifold dynamics in solution comprising ligand switching among different sites (terminal, doubly or triply bridging), coordination lability of alkoxometallate units ({M(OR)x−}) and rearrangement of metal centers. Solution behavior and structural investigations of heterobimetallic iodide isopropoxides [IM{Ce2(OPri)9}]2 (M=Cd (1), Ba (2)) and corresponding potassium alkoxometallates of Sr and Al revealed equilibrium of several interconverting species that rearrange to form stable monomeric or dimeric trimetallic frameworks. Quantitative formation of dimeric heterotrimetallic alkoxides [{Cd(OPri)3}Sr{Ce2(OPri)9}]2 (3), [{Cd(OPri)3}Ba{Ce2(OPri)9}]2 (4) and monomeric [{Al(OPri)4}(HOPri)Ba{Ce2(OPri)9}] (5) confirmed the tendency of metallo‐fragments to rearrange themselves for achieving the maximum possible coordination number for constituent metals. Multinuclear NMR spectroscopy, elemental analysis, mass spectrometry and X‐ray diffraction analyses verified the potential of electronically and sterically unsaturated alkoxometallate units in initiating the redistribution of metal centers.
Microwave‐Assisted Synthesis of N‐Substituted‐2,5‐dihydro‐1H‐pyrroles and N‐Substituted‐1H‐pyrroles in Water
Authors: De Souza Thiago M. , Bieber Lothar W. , Longo Ricardo L. , Malvestiti Ivani
Published: January 2018

A novel, versatile and robust methodology for the synthesis of N‐substituted‐2,5‐dihydro‐1H‐pyrroles and N‐substituted‐1H‐pyrroles in mild basic (carbonate) aqueous media assisted by microwave was successfully developed using amines and cis‐1,4‐dichloro‐2‐butene. The 1‐H‐pyrrole compounds were obtained in a slightly oxidizing (I2/KI) basic aqueous media, where the corresponding N‐substituted‐2,5‐dihydro‐1H‐pyrrole is an intermediate, which also makes the methodology controllable. This method has a wide scope of amine substrate, providing good to high yields, except for anilines substituted with strong electron‐withdrawing groups. A detailed mechanism was proposed and it can explain the observed features of these reactions.
Substrate‐Directed C‐H Functionalization of 2‐Aryl Pyridines by Transition Metal Complexes
Authors: Swamy Tallapally , Subba Reddy Basi V. , Grée René , Ravinder Vadde
Published: January 2018

Transition metal mediated C−H activation is a powerful synthetic tool for the total synthesis of complex natural products and biologically active molecules. The strategy involves mainly C−H activation, nucleophilic addition and regeneration of the catalyst. It proceeds through a C−H bond cleavage by ligand coordination to transition metal. Transition metals like Pd, Rh, Ru, Co, and Ir are the most often used catalysts, which form a complex with 2‐aryl pyridine and facilitates the functionalization of various C−H bonds to generate diverse C−C and C−X bonds under typically mild reaction conditions with low catalyst loading. In particular, the chelation‐assisted cleavage of C−H bonds at ortho‐position of the pyridine directing group has been recognized as one of the most powerful strategies for the functionalization of unreactive C−H bonds. Recently, transition metal catalyzed C−H bond activation has received significant interest because it does not require the prefunctionalization of the substrate. Therefore, the metal‐catalyzed C−H activation and functionalization is currently considered as atom economy and simplified procedure in comparison with the traditional strategies.
Effective Binding of Neutral Dinitriles by Pillar[4]arene[1]quinone both in Solution and in Solid State
Authors: Han Chengyou , Zhao Dezhi , Li Haiyu , Wang Haibo , Huang Xu , Sun Daofeng
Published: January 2018

Herein two kinds of pillar[5]arene derivatives, DMpillar[4]arene[1]quinone and DPpillar[4]arene[1]quinone were synthesized. Their host−guest complexation properties were explored and we found that neutral dinitriles can thread through the cavity of pillar[4]arene[1]quinones to form [2]pseudorotaxanes in chloroform, which were confirmed by 1H NMR spectroscopy. Of all the guests, the succinonitrile showed the most effective binding affinity with the host molecules in this work. Strikingly, X‐ray single‐crystal analysis between DMpillar[4]arene[1]quinone and 1,4‐dicyanobutane indicates the formation of the threaded structure.
Atomic “Bomb Testing”: The Elitzur–Vaidman Experiment Violates the Leggett–Garg Inequality
Authors: Robens Carsten , Alt Wolfgang , Emary Clive , Meschede Dieter , Alberti Andrea
Published: January 2018

Elitzur and Vaidman have proposed a measurement scheme that, based on the quantum superposition principle, allows one to detect the presence of an object—in a dramatic scenario, a bomb—without interacting with it. It was pointed out by Ghirardi that this interaction-free measurement scheme can be put in direct relation with falsification tests of the macro-realistic worldview. Here we have implemented the “bomb test” with a single atom trapped in a spin-dependent optical lattice to show explicitly a violation of the Leggett–Garg inequality—a quantitative criterion fulfilled by macro-realistic physical theories. To perform interaction-free measurements, we have implemented a novel measurement method that correlates spin and position of the atom. This method, which quantum mechanically entangles spin and position, finds general application for spin measurements, thereby avoiding the shortcomings inherent in the widely used push-out technique. Allowing decoherence to dominate the evolution of our system causes a transition from quantum to classical behavior in fulfillment of the Leggett–Garg inequality.
High-Accuracy Deep-UV Ramsey-comb Spectroscopy in Krypton
Authors: Galtier Sandrine , Altmann Robert K. , Dreissen Laura S. , Eikema Kjeld S. E.
Published: January 2018

In this paper, we present a detailed account of the first precision Ramsey-comb spectroscopy in the deep UV. We excite krypton in an atomic beam using pairs of frequency-comb laser pulses that have been amplified to the millijoule level and upconverted through frequency doubling in BBO crystals. The resulting phase-coherent deep-UV pulses at 212.55 nm are used in the Ramsey-comb method to excite the two-photon

$$ 4{p}^6\to 4{p}^55p{\left[1/2\right]}_0 $$

4

p
6

→
4

p
5

5
p

[
1
/
2
]

0

transition. For the

$$ {}^{84}\mathrm{Kr} $$

84

Kr

isotope, we find a transition frequency of 2829833101679(103) kHz. The fractional accuracy of

$$ 3.7\times $$

3.7

×

$$ {10}^{-11} $$

10

-
11

is 34 times better than previous measurements, and also the isotope shifts are measured with improved accuracy. This demonstration shows the potential of Ramsey-comb excitation for precision spectroscopy at short wavelengths.
Ultrafast Optomechanical Pulse Picking
Authors: Lilienfein Nikolai , Holzberger Simon , Pupeza Ioachim
Published: January 2018

State-of-the-art optical switches for coupling pulses into and/or out of resonators are based on either the electro-optic or the acousto-optic effect in transmissive elements. In high-power applications, the damage threshold and other nonlinear and thermal effects in these elements impede further improvements in pulse energy, duration, and average power. We propose a new optomechanical switching concept which is based solely on reflective elements and is suitable for switching times down to the ten-nanosecond range. To this end, an isolated section of a beam path is moved in a system comprising mirrors rotating at a high angular velocity and stationary imaging mirrors, without affecting the propagation of the beam thereafter. We discuss three variants of the concept and exemplify practical parameters for its application in regenerative amplifiers and stack-and-dump enhancement cavities. We find that optomechanical pulse picking has the potential to achieve switching rates of up to a few tens of kilohertz while supporting pulse energies of up to several joules.
A Compact Echelle Spectrograph for Characterization of Astro-Combs
Authors: Probst Rafael A. , Steinmetz Tilo , Wu Yuanjie , Grupp Frank , Udem Thomas , Holzwarth Ronald
Published: January 2018

We present an echelle spectrograph that is optimized for characterization of frequency combs for astronomical applications (astro-combs). In spite of its very compact and cost-efficient design, it allows viewing the spectrum of a frequency comb in nearly the same way as a full-sized high-resolution echelle spectrograph as used at astronomical observatories. This is of great value for testing and characterizing astro-combs during their assembly phase. The spectrograph can further be utilized to effectfully demonstrate the remarkable capabilities of astro-combs.
Model-based testing of probabilistic systems
Authors: Gerhold Marcus , Stoelinga Mariëlle
Published: January 2018

This work presents an executable model-based testing framework for probabilistic systems with non-determinism. We provide algorithms to automatically generate, execute and evaluate test cases from a probabilistic requirements specification. The framework connects input/output conformance-theory with hypothesis testing: our algorithms handle functional correctness, while statistical methods assess, if the frequencies observed during the test process correspond to the probabilities specified in the requirements. At the core of our work lies the conformance relation for probabilistic input/output conformance, enabling us to pin down exactly when an implementation should pass a test case. We establish the correctness of our framework alongside this relation as soundness and completeness; Soundness states that a correct implementation indeed passes a test suite, while completeness states that the framework is powerful enough to discover each deviation from a specification up to arbitrary precision for a sufficiently large sample size. The underlying models are probabilistic automata that allow invisible internal progress. We incorporate divergent systems into our framework by phrasing four rules that each well-formed system needs to adhere to. This enables us to treat divergence as the absence of output, or quiescence, which is a well-studied formalism in model-based testing. Lastly, we illustrate the application of our framework on three case studies.
Detecting rater bias using a person-fit statistic: a Monte Carlo simulation study
Authors: Aubin André-Sébastien , St-Onge Christina , Renaud Jean-Sébastien
Published: January 2018

Introduction With the Standards voicing concern for the appropriateness of response processes, we need to explore strategies that would allow us to identify inappropriate rater response processes. Although certain statistics can be used to help detect rater bias, their use is complicated by either a lack of data about their actual power to detect rater bias or the difficulty related to their application in the context of health professions education. This exploratory study aimed to establish the worthiness of pursuing the use of l z to detect rater bias.
Methods We conducted a Monte Carlo simulation study to investigate the power of a specific detection statistic, that is: the standardized likelihood l z person-fit statistics (PFS). Our primary outcome was the detection rate of biased raters, namely: raters whom we manipulated into being either stringent (giving lower scores) or lenient (giving higher scores), using the l z statistic while controlling for the number of biased raters in a sample (6 levels) and the rate of bias per rater (6 levels).
Results Overall, stringent raters (M = 0.84, SD = 0.23) were easier to detect than lenient raters (M = 0.31, SD = 0.28). More biased raters were easier to detect then less biased raters (60% bias: 62, SD = 0.37; 10% bias: 43, SD = 0.36).
Working on the bias
Authors: Harris Anna
Published: January 2018

None
Allport and Personality a modern view
Authors: Eysenck Hans J.
Published: January 2018

In the history of any scientific discipline, certain people stand out because they effectively defined the discipline, separated it from neighbouring specialities, and gave it a local habitation and a name. Three names stand out in the history (brief though it may be) of the scientific study of personality. The first is A. Heymans, a Dutch philosopher who almost single-handedly introduced the various theoretical, methodological and psychometric methods that characterise modern personality study (Eysenck, 1992). In the early years of this century, he put forward theories of specific personality dimensions, carried out rating studies on large numbers of subjects, correlated traits and devised a primitive method of factor analysis, derived factors that have stood the test of time (extraversion and neuroticism, to give them their modern names), and even went so far as to carry out psychological and physiological experiments to test deductions from these theories. As a reward for all this pioneering effort he is completely neglected in the modern literature; Hall et al (1985), in their Introduction to Theories of Personality gave much room to nonentities like Medard Boss, but make no mention of Heymans. He committed the ultimate crime of not being born in America, and must therefore be considered a non-person. Fortunately his theories and methodologies five on, largely in the London School.
Psychosocial factors at work, personality traits and depressive symptoms
Authors: Paterniti S. , Niedhammer I. , Lang T. , Consoli S. M.
Published: January 2018

Background

An association between stressful job conditions and depressive symptoms has been reported. This association could be explained by personality traits.
The Language Animal: A Long Trajectory
Authors: COSTA PAOLO
Published: January 2018

In my paper, I setThe Language Animalagainst a broader picture of Charles Taylor’s intellectual trajectory.Sources of the Self(1989) left open three major questions: (a) the viability of religious moral sources in a ‘secular’ age; (b) the compatibility between a robust moral realism and a genealogical account of modern identity; and (c) the meaning and destiny of the so-called ‘linguistic turn.’ This is the framing topic of his last book. Although Taylor’s variety of hermeneutics is unquestionably a product of the linguistic turn, he has operated with a broad notion of the linguistic capacity from the start. Language is, for him, a shared activity and the acknowledgment of its animal embeddedness functions in his work as an antidote against any too idealized a view of the kind of creatures that humans are. In his earlier writings, however, a structural tension lurked below the surface between a Gadamerian notion ofSpracheand a more phenomenological, Merleau-Pontyan, embodied outlook that was less modelled on articulate speech. My claim is that his new book marks a shift from a more speech-oriented to a more body-oriented understanding of language.
The Language Animal and the Passive Side of the Human Condition
Authors: MÜNCH NIKOLAI
Published: January 2018

In some strains of current philosophy, there is a growing interest in the passive and receptive aspects of the human condition. This interest is often paired with a criticism that ‘Western’ philosophy unduly neglects those aspects because of an ‘agential bias.’ This criticism has also been directed against the philosophy of Charles Taylor. I try to show that this criticism has some force in principle but is not plausible in the case of Taylor. First, I analyse John Rawls’ hugely influential concept of a life plan and show how this ‘agential bias’ applies here. Second, I argue that such a bias does not apply to Taylor’s The Language Animal by showing how active and passive moments are interwoven in his concepts of articulation and narration.
The Linguistic Capacity of Performative Speech
Authors: WESCHE TILO
Published: January 2018

In my paper, I shall briefly explore a philosophy of performative speech acts, which is in line with Charles Taylor’s investigation into the human linguistic capacity. It complements the full shape of the linguistic capacity and gives an account of how reason enters thinking due to language. Language creates openness to reasons by, as I emphasize, means of a critique of self-deception, which could be accomplished by linguistic capacity.
Theoretical prediction of a charge-transfer phase transition
Authors: Tokoro Hiroko , Namai Asuka , Yoshikiyo Marie , Fujiwara Rei , Chiba Kouji , Ohkoshi Shin-ichi
Published: January 2018

Phase transition materials are attractive from the viewpoints of basic science as well as practical applications. For example, optical phase transition materials are used for optical recording media. If a phase transition in condensed matter could be predicted or designed prior to synthesizing, the development of phase transition materials will be accelerated. Herein we show a logical strategy for designing a phase transition accompanying a thermal hysteresis loop. Combining first-principles phonon mode calculations and statistical thermodynamic calculations considering cooperative interaction predicts a charge-transfer phase transition between the A–B and A+–B− phases. As an example, we demonstrate the charge-transfer phase transition on rubidium manganese hexacyanoferrate. The predicted phase transition temperature and the thermal hysteresis loop agree well with the experimental results. This approach will contribute to the rapid development of yet undiscovered phase transition materials.
Thin and Dense Solid-solid Heterojunction Formation Promoted by Crystal Growth in Flux on a Substrate
Authors: Zettsu Nobuyuki , Shiiba Hiromasa , Onodera Hitoshi , Nemoto Kazune , Kimijima Takeshi , Yubuta Kunio , Nakayama Masanobu , Teshima Katsuya
Published: January 2018

In this work, we demonstrate the direct growth of cubic Li5La3Nb2O12 crystal layer on the LiCoO2 substrate through the conversion of ultra-thin Nb substrate in molten LiOH flux. The initial thickness of the Nb layer determines that of the crystal layer. SEM and TEM observations reveal that the surface is densely covered with well-defined polyhedral crystals. Each crystal is connected to neighboring ones through the formation of tilted grain boundaries with Σ3 (2–1–1) = (1–21) symmetry which show small degradation in lithium ion conductivity comparing to that of bulk. Furthermore, the sub-phase formation at the interface is naturally mitigated during the growth since the formation of Nb2O5 thin film limits the whole reaction kinetics. Using the newly developed stacking approach for stacking solid electrolyte layer on the electrode layer, the grown crystal layer could be an ideal ceramic separator with a dense thin-interface for all-solid-state batteries.
Benefits of aflibercept treatment for age-related macular degeneration patients with good best-corrected visual acuity at baseline
Authors: Minami Sakiko , Nagai Norihiro , Suzuki Misa , Kurihara Toshihide , Sonobe Hideki , Kamoshita Mamoru , Uchida Atsuro , Shinoda Hajime , Takagi Hitoshi , Sonoda Shozo , Sakamoto Taiji , Tsubota Kazuo , Ozawa Yoko
Published: January 2018

Currently, age-related macular degeneration (AMD) is treated while patients exhibit good best-corrected visual acuity (BCVA). However, previous clinical trials only include patients with poor BCVA. We prospectively analyzed the benefits of intravitreal aflibercept (IVA) treatment for AMD patients exhibiting good BCVA at baseline. Twenty-nine treatment-naive AMD patients (29 eyes) with BCVA better than 0.6 (74 letters in ETDRS chart) were treated with IVA once a month for 3 months and every 2 months thereafter with no additional treatments. Improvement in mean BCVA, measured using the conventional Landolt C chart, contrast VA chart, and functional VA (FVA) system, and reductions in mean central retinal thickness (CRT), central choroidal thickness, macular volume (MV), and choroidal area on optical coherence tomography images were observed at 6 and 12 months. Improvements in contrast VA and FVA scores, in contrast to conventional BCVA, correlated with MV reduction; no VA scores correlated with a reduced CRT. The MV correlated with choroidal area after IVA. No severe adverse events occurred. IVA improved visual function, retinal condition, and quality of life evaluated by Visual Function Questionnaire, and was beneficial in these patients. The contrast VA and FVA scores and MVs, which detect subtle changes, helped demonstrate the benefits.
SCFAs strongly stimulate PYY production in human enteroendocrine cells
Authors: Larraufie P. , Martin-Gallausiaux C. , Lapaque N. , Dore J. , Gribble F. M. , Reimann F. , Blottiere H. M.
Published: January 2018

Peptide-YY (PYY) and Glucagon-Like Peptide-1 (GLP-1) play important roles in the regulation of food intake and insulin secretion, and are of translational interest in the field of obesity and diabetes. PYY production is highest in enteroendocrine cells located in the distal intestine, mirroring the sites where high concentrations of short chain fatty acids (SCFAs) are produced by gut microbiota. We show here that propionate and butyrate strongly increased expression of PYY but not GCG in human cell line and intestinal primary culture models. The effect was predominantly attributable to the histone deacetylase inhibitory activity of SCFA and minor, but significant contributions of FFA2 (GPR43). Consistent with the SCFA-dependent elevation of PYY gene expression, we also observed increased basal and stimulated PYY hormone secretion. Interestingly, the transcriptional stimulation of PYY was specific to human-derived cell models and not reproduced in murine primary cultures. This is likely due to substantial differences in PYY gene structure between mouse and human. In summary, this study revealed a strong regulation of PYY production by SCFA that was evident in humans but not mice, and suggests that high fibre diets elevate plasma concentrations of the anorexigenic hormone PYY, both by targeting gene expression and hormone secretion.
Structural Basis for the Enhanced Anti-Diabetic Efficacy of Lobeglitazone on PPARγ
Authors: Jang Jun Young , Bae Hwan , Lee Yong Jae , Choi Young Il , Kim Hyun-Jung , Park Seung Bum , Suh Se Won , Kim Sang Wan , Han Byung Woo
Published: January 2018

Peroxisome proliferator-activated receptor γ (PPARγ) is a member of the nuclear receptor superfamily. It functions as a ligand-activated transcription factor and plays important roles in the regulation of adipocyte differentiation, insulin resistance, and inflammation. Here, we report the crystal structures of PPARγ in complex with lobeglitazone, a novel PPARγ agonist, and with rosiglitazone for comparison. The thiazolidinedione (TZD) moiety of lobeglitazone occupies the canonical ligand-binding pocket near the activation function-2 (AF-2) helix (i.e., helix H12) in ligand-binding domain as the TZD moiety of rosiglitazone does. However, the elongated p-methoxyphenol moiety of lobeglitazone interacts with the hydrophobic pocket near the alternate binding site of PPARγ. The extended interaction of lobeglitazone with the hydrophobic pocket enhances its binding affinity and could affect the cyclin-dependent kinase 5 (Cdk5)-mediated phosphorylation of PPARγ at Ser245 (in PPARγ1 numbering; Ser273 in PPARγ2 numbering). Lobeglitazone inhibited the phosphorylation of PPARγ at Ser245 in a dose-dependent manner and exhibited a better inhibitory effect on Ser245 phosphorylation than rosiglitazone did. Our study provides new structural insights into the PPARγ regulation by TZD drugs and could be useful for the discovery of new PPARγ ligands as an anti-diabetic drug, minimizing known side effects.
Radiogenomic analysis of hypoxia pathway is predictive of overall survival in Glioblastoma
Authors: Beig Niha , Patel Jay , Prasanna Prateek , Hill Virginia , Gupta Amit , Correa Ramon , Bera Kaustav , Singh Salendra , Partovi Sasan , Varadan Vinay , Ahluwalia Manmeet , Madabhushi Anant , Tiwari Pallavi
Published: January 2018

Hypoxia, a characteristic trait of Glioblastoma (GBM), is known to cause resistance to chemo-radiation treatment and is linked with poor survival. There is hence an urgent need to non-invasively characterize tumor hypoxia to improve GBM management. We hypothesized that (a) radiomic texture descriptors can capture tumor heterogeneity manifested as a result of molecular variations in tumor hypoxia, on routine treatment naïve MRI, and (b) these imaging based texture surrogate markers of hypoxia can discriminate GBM patients as short-term (STS), mid-term (MTS), and long-term survivors (LTS). 115 studies (33 STS, 41 MTS, 41 LTS) with gadolinium-enhanced T1-weighted MRI (Gd-T1w) and T2-weighted (T2w) and FLAIR MRI protocols and the corresponding RNA sequences were obtained. After expert segmentation of necrotic, enhancing, and edematous/nonenhancing tumor regions for every study, 30 radiomic texture descriptors were extracted from every region across every MRI protocol. Using the expression profile of 21 hypoxia-associated genes, a hypoxia enrichment score (HES) was obtained for the training cohort of 85 cases. Mutual information score was used to identify a subset of radiomic features that were most informative of HES within 3-fold cross-validation to categorize studies as STS, MTS, and LTS. When validated on an additional cohort of 30 studies (11 STS, 9 MTS, 10 LTS), our results revealed that the most discriminative features of HES were also able to distinguish STS from LTS (p = 0.003).
Yield and resource use efficiency of Plukenetia volubilis plants at two distinct growth stages as affected by irrigation and fertilization
Authors: Gong He-De , Geng Yan-Jing , Yang Chun , Jiao Dong-Ying , Chen Liang , Cai Zhi-Quan
Published: January 2018

This study is to test how seedlings (vegetative) and large plants (reproductive) of an oilseed crop (Plukenetia volubilis) responded to regulated deficit irrigation techniques (conventional deficit irrigation, DI; alternative partial root-zone irrigation, APRI) in a tropical humid monsoon area. Seedlings were more sensitive to water deficit than large plants. Although APRI did better than DI in saving water for both seedlings and large plants at the same amount of irrigation, full irrigation (FI) is optimal for faster seedling growth at the expense of water-use efficiency (WUE). The seed number per unit area was responsible for the total seed oil yield, largely depending on the active process of carbon and nitrogen storages at the whole-plant level. The magnitude of the increase in total seed and seed oil yield by fertilization was similar under different irrigation regimes. Compared with FI, DI can save water, but reduced the total seed yield and had lower agronomic nutrient-use efficiency (NUEagr); whereas APRI had similar total seed yield and NUEagr, but reduced water use greatly. Although the dual goal of increasing the yield and saving water was not compatible, maintaining a high yield and NUEagr at the cost of WUE is recommended for P. volubilis plantation in t he water-rich areas.
Locking bandwidth of two laterally-coupled semiconductor lasers subject to optical injection
Authors: Li Nianqiang , Susanto H. , Cemlyn B. R. , Henning I. D. , Adams M. J.
Published: January 2018

We report here for the first time (to our knowledge), a new and universal mechanism by which a two-element laser array is locked to external optical injection and admits stably injection-locked states within a nontrivial trapezoidal region. The rate equations for the system are studied both analytically and numerically. We derive a simple mathematical expression for the locking conditions, which reveals that two parallel saddle-node bifurcation branches, not reported for conventional single lasers subject to optical injection, delimit the injection locking range and its width. Important parameters are the linewidth enhancement factor, the laser separation, and the frequency offset between the two laterally-coupled lasers; the influence of these parameters on locking conditions is explored comprehensively. Our analytic approximations are validated numerically by using a path continuation technique as well as direct numerical integration of the rate equations. More importantly, our results are not restricted by waveguiding structures and uncover a generic locking behavior in the lateral arrays in the presence of injection.