bluuebunny/crossref_metadata_2025 huggingface dataset:
Hydroxyl radical induced chemiluminescence of hyperbranched polyethyleneimine protected silver nanoclusters and its application in tea polyphenols detection
Authors: Zhao Shuang , Chen Chen , Li Zenghe , Yuan Zhiqin , Lu Chao
Published: May 2017

Selective tea polyphenols detection based on hydroxyl radical induced chemiluminescence of hyperbranched polyethyleneimine protected silver nanoclusters is presented.
Concentration-dependent circularly polarized luminescence (CPL) of chiral N,N′-dipyrenyldiamines: sign-inverted CPL switching between monomer and excimer regions under retention of the monomer emission for photoluminescence
Authors: Ito Suguru , Ikeda Kengo , Nakanishi Shoma , Imai Yoshitane , Asami Masatoshi
Published: May 2017

The CPL of a chiral diamine can be switched between two regions under concomitant inversion of the handedness, while a strong PL intensity is maintained in the same region.
A phenazine-barbituric acid based colorimetric and ratiometric near-infrared fluorescent probe for sensitively differentiating biothiols and its application in TiO2 sensor devices
Authors: Zhang Xiao , Yan Yongchao , Hang Yandi , Wang Jian , Hua Jianli , Tian He
Published: May 2017

A colorimetric and ratiometric NIR fluorescent probe based on phenazine-barbituric acid was developed for biothiols and applied to detect in cells and construct TiO2 sensor devices.
Inhibition of d-Ala incorporation into wall teichoic acid in Staphylococcus aureus by desleucyl-oritavancin
Authors: Chang J. , Coffman L. , Kim S. J.
Published: May 2017

The mode of action for desleucyl-oritavancin was investigated by adding an antibiotic to Staphylococcus aureus during its growth in a defined medium containing l,d-[1-15N]Ala and l-[1-13C]Lys, or d-[1-15N]Ala.
An example of unusual pyridine donor Schiff base uranyl (UO22+) complexes
Authors: Hardy E. E. , Wyss K. M. , Eddy M. A. , Gorden A. E. V.
Published: May 2017

New pyridyl Schiff base ligands with pentadentate coordination environments were designed to fully occupy the equatorial plane of uranyl (UO22+).
Enantioselective [3+2] cycloaddition of azomethine ylides and aldehydes via Ni/bis(oxazoline)-catalyzed ring opening of N-tosylaziridines through a chirality transfer approach
Authors: Wu Xingxing , Zhou Wei , Wu Hai-Hong , Zhang Junliang
Published: May 2017

An enantioselective [3+2] cycloaddition ofN-tosylaziridines and aldehydes catalyzed by a Ni(ii)-bisoxazoline complex has been accomplished through a chirality transfer approach.
On rhenium(i)–silver(i) cyanide porous macrocyclic clusters
Authors: Krawczyk Monika K. , Bikas Rahman , Krawczyk Marta S. , Lis Tadeusz
Published: May 2017

The first cyanide rhenium(i)–silver(i) clusters were synthesized in the course of simple one-pot high-yielding reactions.
Unexpected coordination number and phase diagram of niobium diselenide under compression
Authors: Liu Zhong-Li , Jia Hong , Li Rui , Zhang Xiu-Lu , Cai Ling-Cang
Published: May 2017

We discovered several new high-pressure structures of NbSe2 with unexpected coordination number and constructed its high pressure and temperature phase diagram based on quasi-harmonic approximation.
Photoexcited Ag ejection from a low-temperature He cluster: a simulation study by nonadiabatic Ehrenfest ring-polymer molecular dynamics
Authors: Seki Yusuke , Takayanagi Toshiyuki , Shiga Motoyuki
Published: May 2017

Nonadiabatic ring-polymer molecular dynamics simulations were performed to understand the photoexcitation dynamics of a low-temperature Ag·He500 cluster.
pH-Dependent absorption spectrum of a protein: a minimal electrostatic model of Anabaena sensory rhodopsin
Authors: Stenrup Michael , Pieri Elisa , Ledentu Vincent , Ferré Nicolas
Published: May 2017

A minimal electrostatic model is introduced which aims at reproducing and analyzing the visible-light absorption energy shift of a protein with pH.
Reduced {001}-TiO2−x photocatalysts: noble-metal-free CO2 photoreduction for selective CH4 evolution
Authors: Fang Wenzhang , Khrouz Lhoussain , Zhou Yi , Shen Bin , Dong Chunyang , Xing Mingyang , Mishra Shashank , Daniele Stéphane , Zhang Jinlong
Published: May 2017

The preparation of reduced TiO2 photocatalysts with high Ti3+ concentration is a great challenge due to their instability in air.
Non-zeolitic properties of the dipeptide l-leucyl–l-leucine as a result of the specific nanostructure formation
Authors: Ziganshin Marat A. , Safiullina Aisylu S. , Ziganshina Sufia A. , Gerasimov Alexander V. , Gorbatchuk Valery V.
Published: May 2017

Non-zeolitic sorption properties of l-leucyl–l-leucine which results from a specific self-organization of the dipeptide into different micro- and nanostructures may be used for the separation of mixtures of organic compounds.
Molecular organization in the twist–bend nematic phase by resonant X-ray scattering at the Se K-edge and by SAXS, WAXS and GIXRD
Authors: Stevenson W. D. , Ahmed Z. , Zeng X. B. , Welch C. , Ungar G. , Mehl G. H.
Published: May 2017

Resonant X-ray diffraction from the oriented Se-labelled twist–bend nematic phase suggests molecules adopt a helical conformation matching the helicoidal director field.
Photophysical properties and the NO photorelease mechanism of a ruthenium nitrosyl model complex investigated using the CASSCF-in-DFT embedding approach
Authors: de Lima Batista Ana P. , de Oliveira-Filho Antonio G. S. , Galembeck Sérgio E.
Published: May 2017

Multiconfigurational exploration of the photophysics and photochemistry of a ruthenium nitrosyl complex, unveiling the importance of spin–orbit interactions.
Near-infrared photochemistry at interfaces based on upconverting nanoparticles
Authors: Wu Si , Butt Hans-Jürgen
Published: May 2017

We review near-infrared photochemistry at interfaces based on upconverting nanoparticles, highlight its potential applications, and discuss the challenges.
Modeling DNA oxidation in water
Authors: Capobianco Amedeo , Landi Alessandro , Peluso Andrea
Published: May 2017

We report a novel set of hole energies and electronic coupling parameters that reproduce quantitatively experimental oxidation free energies of DNA.
Surface oxygen vacancy induced solar light activity enhancement of a CdWO4/Bi2O2CO3 core–shell heterostructure photocatalyst
Authors: Yang Chunming , Gao Guimei , Zhang Junjun , Liu Ruiping , Fan Ruicheng , Zhao Ming , Wang Yongwang , Gan Shucai
Published: May 2017

A CdWO4/Bi2O2CO3 core–shell heterostructure photocatalyst was fabricated via a facile two-step hydrothermal process.
Visualization of structural evolution and phase distribution of a lithium vanadium oxide (Li1.1V3O8) electrode via an operando and in situ energy dispersive X-ray diffraction technique
Authors: Zhang Qing , Bruck Andrea M. , Bock David C. , Li Jing , Sarbada Varun , Hull Robert , Stach Eric A. , Takeuchi Kenneth J. , Takeuchi Esther S. , Marschilok Amy C.
Published: May 2017

EDXRD was used to profile the phase transitions and spatial phase distribution of a Li1.1V3O8electrode.
Metal-free and VOC-free O-glycosylation in supercritical CO2
Authors: Cardona Adrià , Boutureira Omar , Castillón Sergio , Díaz Yolanda , Matheu M. Isabel
Published: May 2017

The feasibility of using scCO2 for obtaining glycoconjugates has been demonstrated, by performing metal-free glycosylation without VOCs as solvents.
Endothelial monolayer permeability under controlled oxygen tension
Authors: Funamoto Kenichi , Yoshino Daisuke , Matsubara Kento , Zervantonakis Ioannis K. , Funamoto Kiyoe , Nakayama Masafumi , Masamune Jun , Kimura Yoshitaka , Kamm Roger D.
Published: May 2017

Exposure of endothelial cell monolayer to hypoxia leads to internalization of VE-cadherins, loss of cell–cell junction integrity, and increased endothelial permeability.
New polymeric, dimeric and mononuclear dioxidomolybdenum(vi) complexes with an ONO donor ligand: crystal structures, DFT calculations, catalytic performance and protein binding study of the ligand
Authors: Biswal Debanjana , Pramanik Nikhil Ranjan , Chakrabarti Syamal , Drew Michael G. B. , Sarkar Bithika , Maurya Mannar R. , Mukherjee Sanjib K. , Chowdhury Pramit
Published: May 2017

Catalytic activity and BSA binding is reported.
Syntheses, crystal structures, magnetochemistry and catechol oxidase activity of a tetracopper(ii) compound and a new type of dicopper(ii)-based 1D coordination polymer
Authors: Mandal Leena , Mandal Shuvankar , Mohanta Sasankasekhar
Published: May 2017

One phenoxo–hydroxo bridged tetranuclear cluster and one phenoxo-µ1,1-azido-µ1,3-azido bridged one-dimensional coordination polymer of copper(ii) derived from a Schiff base ligand are described.
Tri- and tetraarylanthracenes with novel λ, χ and ψ topologies as blue-emissive and fluorescent host materials in organic light-emitting diodes (OLEDs)
Authors: Jhulki Samik , Bajpai Alankriti , Nagarajaiah Honnappa , Chow Tahsin J. , Moorthy Jarugu Narasimha
Published: May 2017

Aryl-anthracene derivatives with λ, χ and ψ topologies serve as materials in OLEDs with intriguingly similar physical and electroluminescence properties.
Theoretical study of azido gauche effect and its origin
Authors: Baranac-Stojanović Marija , Stojanović Milovan , Aleksić Jovana
Published: May 2017

The strength and origin of the azido gauche effect were studied by ab initio calculations and compared with the well-known fluorine gauche effect.
Fluorinated meso-tetraaryl Pt(ii)-porphyrins: structure, photophysical, electrochemical, and phosphorescent oxygen sensing studies
Authors: Arunkumar Chellaiah , Kooriyaden Fasalu Rahman , Zhang Xiaochen , Sujatha Subramaniam , Zhao Jianzhang
Published: May 2017

Fluorinated Pt(ii)-porphyrins are examined for their oxygen sensing studies and it is revealed that PtT(3,5-DTFMP)P (F8) shows better sensitivity, which is further supported by emission studies with significant quenching (KSV = 0.068 Torr−1).
Osmotin-loaded magnetic nanoparticles with electromagnetic guidance for the treatment of Alzheimer's disease
Authors: Amin Faiz Ul , Hoshiar Ali Kafash , Do Ton Duc , Noh Yeongil , Shah Shahid Ali , Khan Muhammad Sohail , Yoon Jungwon , Kim Myeong Ok
Published: May 2017

Alzheimer's disease (AD) is the most prevalent age-related neurodegenerative disease, pathologically characterized by the accumulation of aggregated amyloid beta (Aβ) in the brain.
Preparation of graphene by electrical explosion of graphite sticks
Authors: Gao Xin , Xu Chunxiao , Yin Hao , Wang Xiaoguang , Song Qiuzhi , Chen Pengwan
Published: May 2017

An innovative route for producing graphene nanosheets by controlling energy injection through electrical explosion of graphite sticks at room temperature.
A cleft type receptor which combines an oxyanion hole with electrostatic interactions
Authors: Rubio Omayra H. , Mazo Sara del , Monleón Laura M. , Simón Luis , Temprano Álvaro G. , Morán Joaquín R.
Published: May 2017

The association of carboxylic acids with a receptor which combines an oxyanion hole structure with electrostatic forces has been studied by X-ray diffraction, finding different arrangements for the H-bond pattern.
Organocatalytic synthesis of axially chiral atropisomers
Authors: Renzi P.
Published: May 2017

Axially chiral atropisomers are privileged frameworks present in ligands, catalysts and natural products. Organocatalytic mediated reactions offer an interesting and unique alternative for their synthesis.
Exploring the full catalytic cycle of rhodium(i)–BINAP-catalysed isomerisation of allylic amines: a graph theory approach for path optimisation
Authors: Yoshimura Takayoshi , Maeda Satoshi , Taketsugu Tetsuya , Sawamura Masaya , Morokuma Keiji , Mori Seiji
Published: May 2017

The reaction mechanism of the cationic rhodium(i)–BINAP complex catalysed isomerisation of allylic amines was explored using the artificial force induced reaction method with the global reaction route mapping strategy.
Evaporated manganese films as a starting point for the preparation of thin-layer MnOx water-oxidation anodes
Authors: Frey Carolin E. , Kwok Frances , Gonzáles-Flores Diego , Ohms Jonas , Cooley Kayla A. , Dau Holger , Zaharieva Ivelina , Walter Timothy N. , Simchi Hamed , Mohney Suzanne E. , Kurz Philipp
Published: May 2017

Physical vapour deposition of Mn metal followed by annealing in air is a promising route to prepare MnOx-anodes for water-oxidation.
Retracted Article: Chemical etching of a cobalt-based metal-organic framework for enhancing the electrocatalytic oxygen evolution reaction
Authors: Zhu Ai-Xin , Dou Ai-Na , Fang Xiao-Dan , Yang Li-Bo , Xu Quan-Qing
Published: May 2017

Via chemical etching, the pillar ligands of a 3D metal-organic frameworks (MOF) were removed, and a 2D layer MOF was obtained. This 2D MOF possesses high density of open metal...
Sampled‐data reliable control for T–S fuzzy semi‐Markovian jump system and its application to single‐link robot arm model
Authors: Cheng Jun , Wang Bo , Park Ju H. , Kang Wei
Published: May 2017

This study investigates the sampled‐data reliable control for a class of Takagi‐Sugeno (T‐S) fuzzy semi‐Markovian jump system (FSMJS). The system under consideration involves semi‐Markov stochastic process that is described by the property of cumulative distribution function. To relax the difficulty of finding upper bounds in sample‐and‐hold behaviour of the FSMJS, a novel method named mismatched membership function is presented. Sufficient conditions that can guarantee the T–S FSMJS to be stochastically stable are given. More precisely, the reliable sampled‐data controller is designed in terms of linear matrix inequalities. Finally, the validity of the presented approach is demonstrated by a controller design for a single‐link robot arm model.
Estimating just‐noticeable distortion for images/videos in pixel domain
Authors: Uzair Muhammad , Dony Robert D.
Published: May 2017

Existing pixel‐based just noticeable distortion (JND) models only take into account luminance adaptation and texture masking (TM). Similarly, existing discrete cosine transform (DCT) based models do not take into account foveal vision effects and do not estimate TM efficiently. As human visual system (HVS) is not sensitive to distortion below the JND threshold, estimation of the perceptual visibility threshold is widely used in digital and video processing applications. The authors propose a comprehensive and efficient pixel‐based JND model incorporating all major factors which contribute to the JND estimation. The evaluation of contrast masking (CM) is done by distinguishing the edge and TM with respect to the entropy masking properties of the HVS. Similarly, the foveal vision effects are also taken into account for the comprehensive estimation of contrast sensitivity function (CSF). Hence, the proposed pixel‐based JND model incorporates the spatio‐temporal CSF, foveal vision effects, influence of eye‐movement, luminance adaptation and CM to be more consistent with human perception. The incorporation of these important factors makes the proposed model the most comprehensive and efficient in the current literature. Psychophysical experiments were performed to test the proposed model. The results show the proposed model comprehensively outperforms other existing models proving its efficiency.
Synthesis of Substituted Piperidines via Cationic Palladium(II)-Catalyzed Reductive Coupling of N-Tosyl-Tethered Alkynones
Authors: Zhang Xiaojuan , Han Xiuling , Hu Zhiyong , Lu Xiyan
Published: May 2017

A cationic palladium(II) complex catalyzed reductive coupling of N-tosyl-tethered alkynones for the synthesis of functionalized piperidines was successfully developed. This reaction was initiated by hydropalladation of the alkyne and quenched by addition to the intramolecular carbonyl group. The substituent on the alkyne is key to the reaction.
NHC-Copper-Catalyzed Tandem Hydrocupration and Allylation of Alkenyl Boronates
Authors: Yun Jaesook , Jang Won , Han Jung
Published: May 2017

A tandem hydrocupration/allylation of alkenyl boronates efficiently proceeds with NHC-copper catalysts using hydrosilane and allyl phosphate as reagents. In the presence of IMes–Cu catalyst, the allylation of in situ generated Β-α-copper intermediates smoothly occurs to give homoallylic boronates in high yields, despite competitive side reaction pathways. Mono- and disubstituted alkenyl boronates were effective in the reaction with terminal allyl phosphates, but trisubstituted substrates showed limited reactivity.
Scoring Systems for Postthrombotic Syndrome
Authors: Ghanima Waleed , Sandset Per , Kahn Susan , Wik Hilde
Published: May 2017

Postthrombotic syndrome (PTS) is the most common long-term complication after deep vein thrombosis (DVT) and is associated with reduced quality of life. There is no single objective test to diagnose the presence of PTS and it is usually diagnosed on the basis of typical symptoms and signs in a limb previously affected by DVT. Scoring systems for PTS are primarily developed as research tools, but could possibly also be useful in the clinical setting. A main advantage of a good scoring system is standardization of the diagnostic process. An optimal scoring system should be both sensitive and specific for PTS, but this has been difficult to achieve because the symptoms and signs of PTS can be similar to other conditions leading to complaints in the lower limb. In an effort to standardize the definition of PTS, in 2009, the International Society on Thrombosis and Haemostasis Subcommittee on Control of Anticoagulation reviewed available scales and recommended use of the Villalta scale as the most appropriate measure to diagnose and grade the severity of PTS. The aim of this article is to review the existing scoring systems for PTS and to present our view on the advantages and disadvantages of these diagnostic tools.
Scoring Systems for Diagnosis of Acute Venous Thromboembolism
Authors: Righini Marc , Wells Philip , Le Gal Grégoire
Published: May 2017

Modern diagnostic strategies for venous thromboembolism almost all rely on an initial assessment of the pretest probability. Assessing the patient's pretest probability for venous thromboembolism is a critical step in the diagnostic strategy and for therapeutic management. Clinical prediction rules combine medical signs and symptoms to provide accurate and reproducible estimates of the probability of a disease before diagnostic tests are performed. The use of scoring systems in patients with suspected acute venous thromboembolism should be encouraged, as their implementation in guidelines for venous thromboembolism diagnosis results in cost-effective care with improved patient outcomes.
Mikrolaryngoskopie: Eine populationsbezogene Analyse zu Outcome, Komplikationen und Operationsraten
Authors: Gräfe Lisa , Böger Daniel , Büntzel Jens , Eßer Dirk , Hoffmann Kerstin , Jecker Peter , Müller Andreas , Radtke Gerald , Volk Gerd , Koscielny Sven , Guntinas-Lichius Orlando
Published: May 2017

Obwohl die Mikrolaryngoskopie (MLS) ein integraler Bestandteil der operative HNO-Heilkunde ist, gibt es keine populationsbezogenen Untersuchungen zu den Operationsraten und der Effektivität der MLS in der klinischen Routine.

Alle 616 Patienten, die 2011 in einer der 8 Thüringer HNO-Kliniken eine MLS erhielten, wurden hinsichtlich Patientencharakteristika, Therapie, Komplikationen und Nachuntersuchung analysiert.

Die stationäre Aufnahme erfolge vorrangig wegen einer gutartigen Erkrankung des Larynx (60%) und bei 33% wegen eines Malignoms oder Verdacht auf ein Malignom. Bei Verdacht auf einen gutartigen Prozess wurde dies in 98% der Fälle bestätigt. Der Verdacht auf einen bösartigen Tumor bestätigte die MLS in 51% der Fälle bzw. wurde in 49% ausgeschlossen. Ein transientes Larynxödem (22%) und revisionspflichtige Blutung (1%) waren die häufigsten Komplikationen. Ein Zahnschaden trat in 2 Fällen auf (0,2%). Ein Rezidiv der ursprünglichen Erkrankung wurde in 14% beobachtet. Eine längere Operationszeit war ein unabhängiger Prädiktor für eine postoperative Blutung (p=0,05) oder ein Larynxödem (p=0,013). Eine Re-MLS (p<0,0001) und die endgültige Diagnose eines bösartigen Tumors (p=0,017) waren unabhängige Prädiktoren für ein Rezidiv. Die Operationsrate lag bei 22,98/100000 Einwohner. Die höchste Inzidenz lag beim Patientenalter von 50–59 Jahren mit 39,76/100000. Gutartige Tumoren waren die häufigste Indikation mit einer Rate von 19,33/100000.

Diese populationsbezogene Analyse zeigt dass die MLS eine effektive chirurgische Maßnahme mit geringen Risiken im Alltag des HNO-Arztes ist.
Patienten-Instruktionsvideo mit synchroner Videoaufnahme von Gesichtsbewegungen bei Fazialisparese
Authors: Schaede Rebecca , Volk Gerd , Modersohn Luise , Barth Jodi , Denzler Joachim , Guntinas-Lichius Orlando
Published: May 2017

Hintergrund Um die Schwere einer Fazialisparese zu dokumentieren oder um die Schwere mit einem Grading System zu bewerten, werden Photografien und Videoaufnahmen benötigt. Für die Videoaufnahmen gibt es keinen internationalen Standard, was die Vergleichbarkeit von Patientengruppen behindert.

Methoden Es wurde ein Instruktionsvideo entwickelt, in dem Patienten Gesichtsbewegungen vorgemacht werden mit der Aufforderung diese nachzumachen. Während die Instruktionen dem Patienten vorgespielt wurden, wurden die Patienten synchron beim Nachmachen der Gesichtsbewegungen mit handelsüblicher Hardware (Webcam, Bildschirm sowie LED-Beleuchtung) gefilmt. Die mimischen Bewegungsübungen wurden so ausgewählt, dass die Patientenaufnahmen anschließend mit verschiedenen Grading Systemen (House-Brackmann, Sunnybrook, Stennert, Yanagihara) oder auch (semi)automatisch ausgewertet werden konnten. Für die Qualitätskontrolle wurde ein Evaluationsbogen erstellt.

Ergebnisse Das Instruktionsvideo dauert 11 min und 05 s und gliedert sich in 3 Teile: 1) Erklärung des Ablaufs, 2) Vormachen und Nachmachen der mimischen Bewegungen, 3) Nachsprechen von Sätzen für die Analyse der Kommunikationsfähigkeit. Es wurden bisher 13 Probanden und 10 Patienten mit akuter als auch chronischer Fazialisparese gefilmt. Die so gewonnenen Patientenaufnahmen ließen sich nach den oben genannten Grading Systemen auswerten. Die Instruktionen wurden von den Probanden und Patienten als gut erklärt und einfach nachzuahmen bewertet.

Diskussion Es gibt nun ein Instruktionsvideo für die standardisierte Aufzeichnung von Gesichtsbewegungen; dieses sollte zur Bewertung von Fazialisparesen im klinischen Alltag und in Studien verwendet werden, um zukünftig Daten von Patienten innerhalb von internationalen Studien besser vergleichen zu können.
Morphologische Hornhautveränderungen nach Crosslinking bei Keratokonus
Authors: Müller P. , Löffler K. , Kohlhaas M. , Holz F. , Herwig-Carl M.
Published: May 2017

Der Keratokonus ist eine relativ häufige (1 : 2000), meist bilateral auftretende Erkrankung, die zu einer Verdünnung, Veränderung der biochemischen und biomechanischen Struktur sowie Vorwölbung der Hornhaut führt. Seit mehr als 10 Jahren steht das Crosslinking als therapeutisches Verfahren für den progredienten Keratokonus zur Verfügung. Dabei wird mittels Riboflavin und UVA-Bestrahlung eine Verfestigung der Quervernetzung der Kollagenfasern in den vorderen 300 µm des Hornhautstromas erreicht. Es ist als wirksam und komplikationsarm beschrieben worden, sofern entsprechende Protokolle und Indikationen eingehalten werden. Diese Übersicht beinhaltet die physiologischen und pathologischen morphologischen Veränderungen der Hornhaut vor und nach Crosslinking bei Keratokonus. Die verfügbare Literatur wird aufgearbeitet und um eigene Beobachtungen und Erfahrungen, basierend auf histopathologischen Untersuchungen, ergänzt.
Laseriridotomie – nur bei akuter Engwinkelsituation?
Authors: Handzel Daniel , Meyer Carsten , Wegener Alfred
Published: May 2017

Die Einengung des Kammerwinkels durch anatomische Prädisposition – z. B. bei hoher Hyperopie oder durch zunehmende Dicke der kristallinen Linse – stellt den größten Risikofaktor für einen akuten Winkelblock dar. Während die Anlage einer Iridotomie zur Durchbrechung eines akuten Winkelblocks eine Standardprozedur darstellt, gibt es bisher keine einheitlichen Empfehlungen oder Leitlinien für eine prophylaktische Therapie. Moderne bildgebende Verfahren wie die optische Kohärenztomografie oder computergestützte Scheimpflug-Fotografie können bei der Therapieentscheidung wertvolle Informationen liefern. In der vorliegenden Übersicht werden traditionelle wie moderne Untersuchungstechniken vorgestellt und die sich aus den Ergebnissen erster Studien abgeleiteten Handlungsempfehlungen zusammengefasst.
Accurate structures and energetics of neutral-framework zeotypes from dispersion-corrected DFT calculations
Authors: Fischer Michael , Angel Ross J.
Published: May 2017

Density-functional theory (DFT) calculations incorporating a pairwise dispersion correction were employed to optimize the structures of various neutral-framework compounds with zeolite topologies. The calculations used the PBE functional for solids (PBEsol) in combination with two different dispersion correction schemes, the D2 correction devised by Grimme and the TS correction of Tkatchenko and Scheffler. In the first part of the study, a benchmarking of the DFT-optimized structures against experimental crystal structure data was carried out, considering a total of 14 structures (8 all-silica zeolites, 4 aluminophosphate zeotypes, and 2 dense phases). Both PBEsol-D2 and PBEsol-TS showed an excellent performance, improving significantly over the best-performing approach identified in a previous study (PBE-TS). The temperature dependence of lattice parameters and bond lengths was assessed for those zeotypes where the available experimental data permitted such an analysis. In most instances, the agreement between DFT and experiment improved when the experimental data were corrected for the effects of thermal motion and when low-temperature structure data rather than room-temperature structure data were used as a reference. In the second part, a benchmarking against experimental enthalpies of transition (with respect to α-quartz) was carried out for 16 all-silica zeolites. Excellent agreement was obtained with the PBEsol-D2 functional, with the overall error being in the same range as the experimental uncertainty. Altogether, PBEsol-D2 can be recommended as a computationally efficient DFT approach that simultaneously delivers accurate structures and energetics of neutral-framework zeotypes.
Vibronic exciton theory of singlet fission. I. Linear absorption and the anatomy of the correlated triplet pair state
Authors: Tempelaar Roel , Reichman David R.
Published: May 2017

Recent time-resolved spectroscopic experiments have indicated that vibronic coupling plays a vital role in facilitating the process of singlet fission. In this work, which forms the first article of a series, we set out to unravel the mechanisms underlying singlet fission through a vibronic exciton theory. We formulate a model in which both electronic and vibrational degrees of freedom are treated microscopically and non-perturbatively. Using pentacene as a prototypical material for singlet fission, we subject our theory to comparison with measurements on polarization-resolved absorption of single crystals, and employ our model to characterize the excited states underlying the absorption band. Special attention is given to the convergence of photophysical observables with respect to the basis size employed, through which we determine the optimal basis for more expensive calculations to be presented in subsequent work. We furthermore evaluate the energetic separation between the optically prepared singlet excited state and the correlated triplet pair state, as well as provide a real-space characterization of the latter, both of which are of key importance in the discussion of fission dynamics. We discuss our results in the context of recent experimental studies.
Imaging characterization of the rapid adiabatic passage in a source-rotatable, crossed-beam scattering experiment
Authors: Pan Huilin , Mondal Sohidul , Yang Chung-Hsin , Liu Kopin
Published: May 2017

In order to achieve a more efficient preparation of a specific ro-vibrationally excited reactant state for reactive scattering experiments, we implemented the rapid adiabatic passage (RAP) scheme to our pulsed crossed-beam machine, using a single-mode, continuous-wave mid-infrared laser. The challenge for this source-rotatable apparatus lies in the non-orthogonal geometry between the molecular beam and the laser propagation directions. As such, the velocity spread of the supersonic beam results in a significantly broader Doppler distribution that needs to be activated for RAP to occur than the conventional orthogonal configuration. In this report, we detail our approach to shifting, locking, and stabilizing the absolute mid-infrared frequency. We exploited the imaging detection technique to characterize the RAP process and to quantify the excitation efficiency. We showed that with appropriate focusing of the IR laser, a nearly complete population transfer can still be achieved in favorable cases. Compared to our previous setup—a pulsed optical parametric oscillator/amplifier in combination with a multipass ring reflector for saturated absorption, the present RAP scheme with a single-pass, continuous-wave laser yields noticeably higher population-transfer efficiency.
Quantum super torus and super mirror symmetry
Authors: Kim Hoil
Published: May 2017

There is a mirror symmetry between symplectic manifolds and complex manifolds. In this paper, we describe the super version of mirror symmetry. One side is the super symplectic torus and the other side is the noncommutative super abelian varieties. We compare the super Lagrangian in super symplectic torus with the super 2-form on super abelian varieties.
Circumspheres of sets of n + 1 random points in the d-dimensional Euclidean unit ball (1 ≤ n ≤ d)
Authors: Le Caër G.
Published: May 2017

In the d-dimensional Euclidean space, any set of n + 1 independent random points, uniformly distributed in the interior of a unit ball of center O, determines almost surely a circumsphere of center C and radius Ω (1 ≤ n ≤ d) and an n-flat (1 ≤ n ≤ d − 1). The orthogonal projection of O onto this flat is called O′ while Δ designates the distance O′C. The classical problem of the distance between two random points in a unit ball corresponds to n = 1. The focus is set on the family of circumspheres which are contained in this unit ball. For any d≥2 and 1≤n≤d−1, the joint probability density function of the distance Δ≡O′C and circumradius Ω has a simple closed-form expression. The marginal probability density functions of Δ and Ω are both products of powers and a Gauss hypergeometric function. Stochastic representations of the latter random variables are described in terms of geometric means of two independent beta random variables. For n=d≥1, Δ and Ω have a joint Dirichlet distribution with parameters (d, d2, 1) while Δ and Ω are beta distributed. Results of Monte Carlo simulations are in very good agreement with their calculated counterparts. The tail behavior of the circumradius probability density function has been studied by Monte Carlo simulations for 2≤n=d≤9, where all circumspheres are this time considered, regardless of whether or not they are entirely contained in the unit ball.
Spectral properties of hydrogen-like ions in finite-temperature quantum plasmas
Authors: Zhao G. P. , Liu L. , Wang J. G. , Janev R. K.
Published: May 2017

The oscillator strengths and radiative transition probabilities for the Lyman and Balmer series for transitions up to n = 5 of a hydrogen-like ion embedded in a finite-temperature quantum plasma are calculated in a wide range of plasma densities and temperatures for the first time. The plasma screened Coulomb interaction includes the quantum electron degeneracy, exchange-correlation, and finite-temperature gradient correction effects. The results for the oscillator strengths at temperatures 0.35 eV and 3.5 keV are compared with those for zero-temperature quantum plasmas and for Debye plasmas, respectively.
Highly efficient flexible piezoelectric nanogenerator and femtosecond two-photon absorption properties of nonlinear lithium niobate nanowires
Authors: Gupta Manoj Kumar , Aneesh Janardhanakurup , Yadav Rajesh , Adarsh K. V. , Kim Sang-Woo
Published: May 2017

We present a high performance flexible piezoelectric nanogenerator (NG) device based on the hydrothermally grown lead-free piezoelectric lithium niobate (LiNbO3) nanowires (NWs) for scavenging mechanical energies. The non-linear optical coefficient and optical limiting properties of LiNbO3 were analyzed using femtosecond laser pulse assisted two photon absorption techniques for the first time. Further, a flexible hybrid type NG using a composite structure of the polydimethylsiloxane polymer and LiNbO3 NWs was fabricated, and their piezoelectric output signals were measured. A large output voltage of ∼4.0 V and a recordable large current density of about 1.5 μA cm−2 were obtained under the cyclic compressive force of 1 kgf. A subsequent UV-Vis analysis of the as-prepared sample provides a remarkable increase in the optical band gap (UV absorption cut-off, ∼251 nm) due to the nanoscale size effect. The high piezoelectric output voltage and current are discussed in terms of large band gap, significant nonlinear optical response, and electric dipole alignments under poling effects. Such high performance and unique optical properties of LiNbO3 show its great potential towards various next generation smart electronic applications and self-powered optoelectronic devices.
Magnetically induced Stark-like splitting and asymmetric refractive index effect in plasmonic nanostructures
Authors: Liu Wanguo , Shen Yang , Liu Wenjie , Jin Chongjun
Published: May 2017

We develop an analytical method to investigate the eigenmodes of the surface plasmonic polaritons propagating along the interface of metal and magneto-optical (MO) medium by using perturbation theory. The solution shows that the MO activity can eliminate the eigenfrequency degeneracy of a pair of time-reversed waves. Analogously to the electron's magneto-Stark effect, we show this splitting can be understood as a result of “Lorentz force” acting on photons and it exhibits a Stark-like shape, which causes a difference between the forward and backward refractive index. It can be further enhanced by the surface plasmonic polaritons. Then, a hybrid structure composed with MO medium and metallic array is proposed to demonstrate this effect. In such a hybrid structure, the one-way property of surface wave presents a much higher efficiency than that of conventional magnetic photonic crystal. This Stark-like splitting at the interface of metal and magneto-optical (MO) medium can be used in the design of nanophotonic circuits, such as surface wave diode and asymmetric prism.
Gadolinium cation (Gd+) reaction with O2: Potential energy surface mapped experimentally and with theory
Authors: Demireva Maria , Armentrout P. B.
Published: May 2017

Guided ion beam tandem mass spectrometry is used to measure the kinetic energy dependent cross sections for reactions of the lanthanide metal gadolinium cation (Gd+) and GdO+ with O2 and for collision-induced dissociation (CID) of GdO2+ with Xe. Gd+ reacts with O2 in an exothermic and barrierless reaction to form GdO+ and O. GdO2+ is also formed in this reaction, but this product ion is formed in a sequential reaction, as verified by pressure dependent measurements and comparison with the results for the reaction of GdO+ with O2. The CID experiments of GdO2+ indicate the presence of two GdO2+ precursor ion populations, assigned to a weakly bound oxygen molecule adduct (Gd+–O2) and an inserted cyclic Gd+ dioxide species (O–Gd+–O). Analysis of the resulting product ion cross sections yields bond dissociation energies (BDEs, D0) for Gd+–O2 and OGd+–O, where the latter BDE is also independently measured in an exchange reaction between GdO+ and O2. The CID experiments also provide the energy of the barrier for the rearrangement of the Gd+–O2 adduct to the inserted O–Gd+–O structure (as identified by loss of a single oxygen atom). The thermochemistry measured here yields D0(OGd+–O) = 2.86 ± 0.08 eV, D0(Gd+–O2) = 0.75 ± 0.11 eV, and a barrier height relative to Gd+–O2 of 0.31 ± 0.07 eV. These data are sufficient to characterize in some detail the potential energy surface of the Gd+ reaction with O2 entirely from experiment. Theoretical calculations are performed for comparison with the experimental energetics and for further insight into the reaction mechanisms.
Effects of dimensionality on kinetic simulations of laser-ion acceleration in the transparency regime
Authors: Stark D. J. , Yin L. , Albright B. J. , Guo F.
Published: May 2017

A particle-in-cell study of laser-ion acceleration mechanisms in the transparency regime illustrates how two-dimensional (2D) S and P simulations (laser polarization in and out of the simulation plane, respectively) capture different physics characterizing these systems, visible in their entirety often in cost-prohibitive three-dimensional (3D) simulations. The electron momentum anisotropy induced in the target by a laser pulse is dramatically different in the two 2D cases, manifested in differences in target expansion timescales, electric field strengths, and density thresholds for the onset of relativistically induced transparency. In particular, 2D-P simulations exhibit dramatically greater electron heating in the simulation plane, whereas 2D-S ones show a much more isotropic energy distribution, similar to 3D. An ion trajectory analysis allows one to isolate the fields responsible for ion acceleration and to characterize the acceleration regimes in time and space. The artificial longitudinal electron heating in 2D-P exaggerates the effectiveness of target-normal sheath acceleration into its dominant acceleration mechanism throughout the laser-plasma interaction, whereas 2D-S and 3D both have sizable populations accelerated preferentially during transparency.
Nonlinear interaction of electromagnetic waves with 3-component relativistic quantum plasma
Authors: Ikramullah  , Ahmad Rashid , Sharif Saqib , Khattak Fida Younus
Published: May 2017

The interaction of intense circularly polarized electro-magnetic (CPEM) wave with 3-component relativistic-quantum plasma consisting of relativistic-degenerate electrons and positrons, and dynamic degenerate ions is theoretically studied. A mathematical model is structured by coupling Klein-Gordon equations for the electrons and positrons, and Schrödinger equation for the ions with Maxwell equations through Poisson equations. The solutions of the dispersion relation are plotted for relativistic quantum plasma in the density-range of ∼1030→1036m−3 for several positron concentrations. Three wave modes are observed: electrons, ions, and positrons. The pair branch mode having a possible association with the positron states stays unaltered by variation in the positron concentration but varies significantly with a change in the quantum parameter defined in terms of the particles number density. The addition of positron to the plasma and increasing the positron concentration suggest enhancement of the opacity of the relativistic quantum plasma. The nonlinear interaction of large amplitude CPEM waves with the plasma leads to self-induced transparency. The transparency decreases with increasing positron concentration. The model so developed is then applied to study stimulated Raman scattering, modulational instability, and stimulated Brillouin scattering of intense CPEM waves in such plasmas. The results show that the growth rates are affected by the positron concentration, the quantum parameter of the plasma, as well as by the amplitude of the incident electromagnetic wave.
Comparison of divertor heat flux splitting by 3D fields with field line tracing simulation in KSTAR
Authors: Kim Kimin , Ahn J.-W. , Lee H. H. , Park J.-K. , Kang C. S. , In Y. , Kwak J. G. , Yoon S. W. , Oh O. K. , Choe Wonho
Published: May 2017

We present the experimental and numerical analysis of divertor heat flux spitting by 3D magnetic fields in KSTAR. A dedicated experiment to measure the modification of the divertor heat flux profile in the n = 2 resonant and non-resonant field configurations has been conducted. The measured heat flux profiles were directly compared to the magnetic field line tracing (FLT) simulation using the POCA-FLT code, which fully considers vacuum and ideal plasma response models. Measurements indicate that the 3D fields induce strong splitting of heat flux on the divertor target due to the formation of stochastic field layers. Splitting characteristics largely depend on the applied 3D field structure and its alignment to the axisymmetric magnetic pitch. The modeling of the field line connection length shows good agreement with measurements, reproducing well the pattern of heat flux splitting. Simulations with the ideal plasma response better reproduce measured heat flux profiles by excitation of non-resonant field components in the non-resonant 0° phase and shielding of resonant field components in the resonant 90° phase.
Sensitivity on materials optical properties of single beam torsional Casimir actuation
Authors: Tajik Fatemeh , Sedighi Mehdi , Palasantzas George
Published: May 2017

Here, we investigate the dynamical sensitivity of electrostatic torsional type microelectromechanical systems (MEMS) on the optical properties of interacting materials. This is accomplished by considering the combined effect of mechanical Casimir and electrostatic torques to drive the device actuation. The bifurcation curves and the phase portraits of the actuation dynamics have been analyzed to compare the sensitivity of a single beam torsional device operating between materials with conductivities that differ by several orders of magnitude. It is shown that the range of stable operation of torsional MEMS against stiction instabilities can increase by decreasing the conductivity of interacting materials. Moreover, the introduction of controlled dissipation, corresponding to a finite quality factor, in an otherwise unstable torsional system, could alter an unstable motion towards stiction to dissipative stable motion.
Isochronous dynamics in pulse coupled oscillator networks with delay
Authors: Li Pan , Lin Wei , Efstathiou Konstantinos
Published: May 2017

We consider a network of identical pulse-coupled oscillators with delay and all-to-all coupling. We demonstrate that the discontinuous nature of the dynamics induces the appearance of isochronous regions—subsets of the phase space filled with periodic orbits having the same period. For each fixed value of the network parameters, such an isochronous region corresponds to a subset of initial states on an appropriate surface of section with non-zero dimensions such that all periodic orbits in this set have qualitatively similar dynamical behaviour. We analytically and numerically study in detail such an isochronous region, give proof of its existence, and describe its properties. We further describe other isochronous regions that appear in the system.
Kinetic Jeans instability and nonlinear damping of electromagnetic waves in self gravitating dusty plasma
Authors: Rozina Ch. , Tsintsadze N. L. , Madiha M. , Zeba I.
Published: May 2017

A kinetic theory of the Jeans instability of a self gravitating dusty plasma has been developed in the presence of nonlinear Landau damping (NLD) term. We demonstrate that NLD alters the growth rate of the gravitational collapse of the gravitating dusty plasma. The dispersion relation of modified Jeans instability is obtained and analyzed for specific conditions. Jeans frequency is compared with the dust acoustic frequency; new definition of Jeans wave length is introduced. The maximum growth rate is obtained for a particular condition as well as the Jeans critical mass is defined. Next to address the heating of plasma through radiation processes, we investigate the nonlinear theory of high frequency electromagnetic waves (EMWs) in a collisionless dusty plasma by using a set of Vlasov-Poisson equations. The effects of the nonlocal nonlinear Landau term (appearing due to the nonlinear interaction of EMWs with gravitating dusty plasma) in the nonlinear Schrödinger equation are examined. It is found that nonlinear Landau damping of EMWs leads to transfer of effective energy to the plasma particles, the corresponding decay rate of EMWs appears to be a function of amplitude of electromagnetic pump waves, and damping can be faster in the presence of large ion number density.
Photoionization for He1+ ions moving in plasmas
Authors: Hu Hongwei
Published: May 2017

The photo-ionization processes of an ion moving in fusion plasma are investigated. Bound state wavefunctions are calculated using the Ritz variation method. Continuum state wavefunctions of the photoelectron are constructed using the proposed orthogonalized-spherical wave method. The formula for the photo-ionization cross section is derived. The photo-ionization of a moving ion consists of many ionization channels. Cross sections of the main channels are much larger than those of the other channels. Photo-ionization is influenced by the incident photon energy and ionic speed.
Extended Rice-Walsh equation of state for metals based on shock Hugoniot data for porous samples
Authors: Nagayama K.
Published: May 2017

The dimensionless material parameter R introduced by Wu and Jing into the Rice-Walsh equation of state (EOS) deduced from the shock Hugoniot data for porous Al and Cu was shown to be well approximated by a function of pressure alone. This data processing was extended to several metals including Mo, Ni, Co, Cr, Pb, Ta, W, and Fe using porous shock data basically published by Russian researchers. It was again found that the parameter R/p for all metals decays smoothly with shock pressure p and displays small experimental scatter in the high pressure region. It is then possible to construct the Rice-Walsh EOS using the empirically determined function R(p) and its known full-density shock Hugoniot and to reproduce porous shock Hugoniot for these metals. For most degrees of porosity, the agreement between the porous data and the calculated Hugoniots using the empirical function described was very good, while anomalous Hugoniots of Mo and Ni with extremely high porosity exhibit appreciable discrepancies. In this paper, the Wu-Jing parameter as a function of pressure together with thermal contribution was introduced to extend the Rice-Walsh EOS to explain Hugoniots with extremely high porosities. Extended EOS was also formulated with newly introduced thermal variables, which enabled the calculation of the cold compression curve for these metals. The present analysis suggested that the Rice-Walsh type EOS is, in most cases, a preferable choice for analysis with its simple form, pressure-dependent empirical Wu-Jing parameter and its compatibility with porous shock data. Extended Rice-Walsh EOS is only necessary for anomalous Hugoniots.
Quantization of acoustic-phonon shear modes in a nanowaveguide
Authors: Mazouchi M. , Dutta M. , Stroscio M. A.
Published: May 2017

Acoustic energy trapping in a thin non-piezoelectric plate is studied. The confinement of resonant acoustic fields is described for the case where energy trapping is caused by thickening the center region of the plate. The elastic continuum mechanics model is used to determine the quantized acoustic-phonon modes in an isotropic nanowaveguide. The acoustic-phonon amplitudes and relative frequency dispersion relations are obtained analytically and presented for both the odd symmetry shear modes and even symmetry shear modes. The acoustic-phonon modes in the non-piezoelectric nanowaveguide are quantized. Furthermore, the limit of the quality factor and frequency (fQ) product achievable by a resonator is theoretically discussed and calculated in silicon resonators for three different orientations.