bluuebunny/crossref_metadata_2025 huggingface dataset:
Quantum advantage for probabilistic one-time programs
Authors: Roehsner Marie-Christine , Kettlewell Joshua A. , Batalhão Tiago B. , Fitzsimons Joseph F. , Walther Philip
Published: November 2018

One-time programs, computer programs which self-destruct after being run only once, are a powerful building block in cryptography and would allow for new forms of secure software distribution. However, ideal one-time programs have been proved to be unachievable using either classical or quantum resources. Here we relax the definition of one-time programs to allow some probability of error in the output and show that quantum mechanics offers security advantages over purely classical resources. We introduce a scheme for encoding probabilistic one-time programs as quantum states with prescribed measurement settings, explore their security, and experimentally demonstrate various one-time programs using measurements on single-photon states. These include classical logic gates, a program to solve Yao’s millionaires problem, and a one-time delegation of a digital signature. By combining quantum and classical technology, we demonstrate that quantum techniques can enhance computing capabilities even before full-scale quantum computers are available.
GPCR-specific autoantibody signatures are associated with physiological and pathological immune homeostasis
Authors: Cabral-Marques Otavio , Marques Alexandre , Giil Lasse Melvær , De Vito Roberta , Rademacher Judith , Günther Jeannine , Lange Tanja , Humrich Jens Y. , Klapa Sebastian , Schinke Susanne , Schimke Lena F. , Marschner Gabriele , Pitann Silke , Adler Sabine , Dechend Ralf , Müller Dominik N. , Braicu Ioana , Sehouli Jalid , Schulze-Forster Kai , Trippel Tobias , Scheibenbogen Carmen , Staff Annetine , Mertens Peter R. , Löbel Madlen , Mastroianni Justin , Plattfaut Corinna , Gieseler Frank , Dragun Duska , Engelhardt Barbara Elizabeth , Fernandez-Cabezudo Maria J. , Ochs Hans D. , al-Ramadi Basel K. , Lamprecht Peter , Mueller Antje , Heidecke Harald , Riemekasten Gabriela
Published: November 2018

Autoantibodies have been associated with autoimmune diseases. However, studies have identified autoantibodies in healthy donors (HD) who do not develop autoimmune disorders. Here we provide evidence of a network of immunoglobulin G (IgG) autoantibodies targeting G protein-coupled receptors (GPCR) in HD compared to patients with systemic sclerosis, Alzheimer’s disease, and ovarian cancer. Sex, age and pathological conditions affect autoantibody correlation and hierarchical clustering signatures, yet many of the correlations are shared across all groups, indicating alterations to homeostasis. Furthermore, we identify relationships between autoantibodies targeting structurally and functionally related molecules, such as vascular, neuronal or chemokine receptors. Finally, autoantibodies targeting the endothelin receptor type A (EDNRA) exhibit chemotactic activity, as demonstrated by neutrophil migration toward HD-IgG in an EDNRA-dependent manner and in the direction of IgG from EDNRA-immunized mice. Our data characterizing the in vivo signatures of anti-GPCR autoantibodies thus suggest that they are a physiological part of the immune system.
Real-time determination of enantiomeric and isomeric content using photoelectron elliptical dichroism
Authors: Comby A. , Bloch E. , Bond C. M. M. , Descamps D. , Miles J. , Petit S. , Rozen S. , Greenwood J. B. , Blanchet V. , Mairesse Y.
Published: November 2018

The fast and accurate analysis of chiral chemical mixtures is crucial for many applications but remains challenging. Here we use elliptically-polarized femtosecond laser pulses at high repetition rates to photoionize chiral molecules. The 3D photoelectron angular distribution produced provides molecular fingerprints, showing a strong forward-backward asymmetry which depends sensitively on the molecular structure and degree of ellipticity. Continuously scanning the laser ellipticity and analyzing the evolution of the rich, multi-dimensional molecular signatures allows us to observe real-time changes in the chemical and chiral content present with unprecedented speed and accuracy. We measure the enantiomeric excess of a compound with an accuracy of 0.4% in 10 min acquisition time, and follow the evolution of a mixture with an accuracy of 5% with a temporal resolution of 3 s. This method is even able to distinguish isomers, which cannot be easily distinguished by mass-spectrometry.
Manganese based layered oxides with modulated electronic and thermodynamic properties for sodium ion batteries
Authors: Zhang Kai , Kim Duho , Hu Zhe , Park Mihui , Noh Gahee , Yang Yujeong , Zhang Jing , Lau Vincent Wing-hei , Chou Shu-Lei , Cho Maenghyo , Choi Si-Young , Kang Yong-Mook
Published: November 2018

Manganese based layered oxides have received increasing attention as cathode materials for sodium ion batteries due to their high theoretical capacities and good sodium ion conductivities. However, the Jahn–Teller distortion arising from the manganese (III) centers destabilizes the host structure and deteriorates the cycling life. Herein, we report that zinc-doped Na0.833[Li0.25Mn0.75]O2 can not only suppress the Jahn–Teller effect but also reduce the inherent phase separations. The reduction of manganese (III) amount in the zinc-doped sample, as predicted by first-principles calculations, has been confirmed by its high binding energies and the reduced octahedral structural variations. In the viewpoint of thermodynamics, the zinc-doped sample has lower formation energy, more stable ground states, and fewer spinodal decomposition regions than those of the undoped sample, all of which make it charge or discharge without any phase transition. Hence, the zinc-doped sample shows superior cycling performance, demonstrating that zinc doping is an effective strategy for developing high-performance layered cathode materials.
Thermal assisted self-organization of calcium carbonate
Authors: Zhang Gan , Verdugo-Escamilla Cristobal , Choquesillo-Lazarte Duane , García-Ruiz Juan Manuel
Published: November 2018

Fabrication of mineral multi-textured architectures by self-organization is a formidable challenge for engineering. Current approaches follow a biomimetic route for hybrid materials based on the coupling of carbonate and organic compounds. We explore here the chemical coupling of silica and carbonate, leading to fabrication of inorganic–inorganic biomimetic structures known as silica-carbonate biomorphs. So far, biomorphic structures were restricted to orthorhombic barium, strontium, and calcium carbonate. We demonstrate that, monohydrocalcite a hydrous form of calcium carbonate with trigonal structure can also form biomorphic structures, thus showing biomorphic growth is not dictated by the carbonate crystal structure. We show that it is possible to control the growth regime, and therefore the texture and overall shape, by tuning the growth temperature, thereby shifting the textural pattern within the production of a given architecture. This finding opens a promising route to the fabrication of complex multi-textured self-organized material made of silica and chalk.
Three-dimensional atomic scale electron density reconstruction of octahedral tilt epitaxy in functional perovskites
Authors: Yuan Yakun , Lu Yanfu , Stone Greg , Wang Ke , Brooks Charles M. , Schlom Darrell G. , Sinnott Susan B. , Zhou Hua , Gopalan Venkatraman
Published: November 2018

Octahedral tilts are the most ubiquitous distortions in perovskite-related structures that can dramatically influence ferroelectric, magnetic, and electronic properties; yet the paradigm of tilt epitaxy in thin films is barely explored. Non-destructively characterizing such epitaxy in three-dimensions for low symmetry complex tilt systems composed of light anions is a formidable challenge. Here we demonstrate that the interfacial tilt epitaxy can transform ultrathin calcium titanate, a non-polar earth-abundant mineral, into high-temperature polar oxides that last above 900 K. The comprehensive picture of octahedral tilts and polar distortions is revealed by reconstructing the three-dimensional electron density maps across film-substrate interfaces with atomic resolution using coherent Bragg rod analysis. The results are complemented with aberration-corrected transmission electron microscopy, film superstructure reflections, and are in excellent agreement with density functional theory. The study could serve as a broader template for non-destructive, three-dimensional atomic resolution probing of complex low symmetry functional interfaces.
Prediction of the strength and timing of sunspot cycle 25 reveal decadal-scale space environmental conditions
Authors: Bhowmik Prantika , Nandy Dibyendu
Published: November 2018

The Sun’s activity cycle governs the radiation, particle and magnetic flux in the heliosphere creating hazardous space weather. Decadal-scale variations define space climate and force the Earth’s atmosphere. However, predicting the solar cycle is challenging. Current understanding indicates a short window for prediction best achieved at previous cycle minima. Utilizing magnetic field evolution models for the Sun’s surface and interior we perform the first century-scale, data-driven simulations of solar activity and present a scheme for extending the prediction window to a decade. Our ensemble forecast indicates cycle 25 would be similar or slightly stronger than the current cycle and peak around 2024. Sunspot cycle 25 may thus reverse the substantial weakening trend in solar activity which has led to speculation of an imminent Maunder-like grand minimum and cooling global climate. Our simulations demonstrate fluctuation in the tilt angle distribution of sunspots is the dominant mechanism responsible for solar cycle variability.
Author Correction: Genus-wide sequencing support a two-locus model for sex-determination in Phoenix
Authors: Torres Maria F. , Mathew Lisa S. , Ahmed Ikhlak , Al-Azwani Iman K. , Krueger Robert , Rivera-Nuñez Diego , Mohamoud Yasmin A. , Clark Andrew G. , Suhre Karsten , Malek Joel A.
Published: November 2018

In the original version of this Article, the affiliation of the first author, Maria F. Torres, ‘Department of Biological Sciences, University of Cincinnati, Cincinnati, 45221, OH, USA’ was incorrectly assigned as a present address and should have been listed as a full affiliation. This error has been corrected in both the PDF and HTML versions of the Article.
Precision and efficiency in solid-state pseudopotential calculations
Authors: Prandini Gianluca , Marrazzo Antimo , Castelli Ivano E. , Mounet Nicolas , Marzari Nicola
Published: November 2018

Despite the enormous success and popularity of density-functional theory, systematic verification and validation studies are still limited in number and scope. Here, we propose a protocol to test publicly available pseudopotential libraries, based on several independent criteria including verification against all-electron equations of state and plane-wave convergence tests for phonon frequencies, band structure, cohesive energy and pressure. Adopting these criteria we obtain curated pseudopotential libraries (named SSSP or standard solid-state pseudopotential libraries), that we target for high-throughput materials screening (“SSSP efficiency”) and high-precision materials modelling (“SSSP precision”). This latter scores highest among open-source pseudopotential libraries available in the Δ-factor test of equations of states of elemental solids.
Predicting the structure and stability of titanium oxide electrides
Authors: Zhong Xin , Xu Meiling , Yang Lili , Qu Xin , Yang Lihua , Zhang Miao , Liu Hanyu , Ma Yanming
Published: November 2018

The search for new inorganic electrides has attracted significant attention due to their potential applications in transparent conductors, battery electrodes, electron emitters, as well as catalysts for chemical synthesis. However, only a few inorganic electrides have been successfully synthesized thus far, limiting the variety of electride examples. Here, we show the stabilization of inorganic electrides in the Ti-rich Ti–O system through first-principles calculations in conjunction with swarm-intelligence-based CALYPSO method for structure prediction. Besides the known Ti-rich stoichiometries of Ti2O, Ti3O, and Ti6O, two hitherto unknown Ti4O and Ti5O stoichiometries are predicted to be thermodynamically stable at certain pressure conditions. We found that these Ti-rich Ti–O compounds are primarily zero-dimensional electrides with excess electrons confined in the atom-sized lattice voids or between the cationic layers playing the role as anions. The underlying mechanism behind the stabilization of electrides has been rationalized in terms of the excess electrons provided by Ti atoms and their accommodation of excess electrons by multiple cavities and layered atomic packings. The present results provide a viable direction for searching for practical electrides in the technically important Ti–O system.
Extra-Visual Systems in the Spatial Reorientation of Cavefish
Authors: Sovrano Valeria Anna , Potrich Davide , Foà Augusto , Bertolucci Cristiano
Published: November 2018

Disoriented humans and animals are able to reorient themselves using environmental geometry (“metric properties” and “sense”) and local features, also relating geometric to non-geometric information. Here we investigated the presence of these reorientation spatial skills in two species of blind cavefish (Astyanax mexicanus and Phreatichthys andruzzii), in order to understand the possible role of extra-visual senses in similar spatial tasks. In a rectangular apparatus, with all homogeneous walls (geometric condition) or in presence of a tactilely different wall (feature condition), cavefish were required to reorient themselves after passive disorientation. We provided the first evidence that blind cavefish, using extra-visual systems, were able i) to use geometric cues, provided by the shape of the tank, in order to recognize two geometric equivalent corners on the diagonal, and ii) to integrate the geometric information with the salient cue (wall with a different surface structure), in order to recover a specific corner. These findings suggest the ecological salience of the environmental geometry for spatial orientation in animals and, despite the different niches of adaptation, a potential shared background for spatial navigation. The geometric spatial encoding seems to constitute a common cognitive tool needed when the environment poses similar requirements to living organisms.
A single light spot GC detector employing localized surface plasmon resonance of porous Au@SiO2 nanoparticle multilayer
Authors: Lin Pei-Ying , Le Guarn-Yi , Chiu Wei-I. , Jian Rih-Sheng , Lu Chia-Jung
Published: November 2018

Miniaturization of an LSPR GC detector using porous Au@SiO2 nanoparticle multilayer.
A sensitive and quantitative immunochromatographic assay for HBsAg based on novel red silica nanoparticles
Authors: Yu Qiongqiong , Dou Wenchao , Liu Jing , Zhao Guangying , Yang Shuai , Zhu Danhua , Zhao Yalei , Li Lanjuan
Published: November 2018

An immunochromatographic assay (ICA) based on red silica nanoparticles (red-SiNPs) was developed for quantitative detection of hepatitis B surface antigen (HBsAg) in serum.
Li(NH3)B3H8: a new ionic liquid octahydrotriborate
Authors: Zheng Xiongfei , Yang Yanjing , Li Mengxuan , Zhao Fengqi , Gu Qinfen , Ma Xiaohua , Guo Yanhui
Published: November 2018

A novel liquid octahydrotriborate compound, LiB3H8·NH3, with H–H bonds between the Li(NH3) cations and B3H8 anions froze below −33.4 °C, demonstrating potential as a liquid hydrogen storage candidate.
A large spin, magnetically anisotropic, octanuclear vanadium(iii) wheel
Authors: Sorolla Maurice G. , Wang Xiqu , Makarenko Tatyana , Jacobson Allan J.
Published: November 2018

A large spin, magnetically anisotropic, ferromagnetically coupled octanuclear vanadium(iii) wheel-like cluster has been synthesized.
Synthesis and biochemical characterization of quasi-stable trimer models of full-length amyloid β40 with a toxic conformation
Authors: Irie Yumi , Hanaki Mizuho , Murakami Kazuma , Imamoto Tsuneo , Furuta Takumi , Kawabata Takeo , Kawase Taiji , Hirose Kenji , Monobe Yoko , Akagi Ken-ichi , Yanagita Ryo C. , Irie Kazuhiro
Published: November 2018

The only trimer model to exhibit weak but significant neurotoxicity against SH-SY5Y cells was the one which was linked at position 38.
Triplet-sensitised di-π-methane rearrangement of N-substituted 2-azabarrelenones
Authors: Tröster Andreas , Bach Thorsten
Published: November 2018

When irradiated at λ = 366 nm or at λ = 420 nm in the presence of an appropriate sensitiser the title compounds underwent a di-π-methane rearrangement which led to the formation of tricyclic azasemibullvalenones (2a,2a1,2b,4a-tetrahydroazacyclopropa[cd]pentalenones) in yields of 63–87%.
A single AT–GC exchange can modulate charge transfer-induced p53–DNA dissociation
Authors: Teo Ruijie D. , Smithwick Elizabeth R. , Migliore Agostino , Beratan David N.
Published: November 2018

Using molecular dynamics simulations and electronic structure theory, we shed light on the charge dynamics that causes the differential interaction of tumor suppressor protein p53 with the p21 and Gadd45 genes in response to oxidative stress.
Iridium-induced regioselective B–H and C–H activations at azo-substitutedm-carboranes: facile access to polynuclear complexes
Authors: Gao Yang , Guo Shu-Ting , Cui Peng-Fei , Aznarez Francisco , Jin Guo-Xin
Published: November 2018

Iridium-induced selective C–H and B(2,3)–H bond activations have been achieved atm-carboranes featuring azobenzene directing groups. A series of mononuclear, dinuclear and trinuclear complexes have been obtained.
Four Co(ii) coordination polymers based on 4,4′-(1H-1,2,4-triazol-1-yl)methylenebis(benzoic acid): syntheses, structural diversity, magnetic properties, dye adsorption and photocatalytic properties
Authors: Zong Zi-ao , Fan Chuan-bin , Zhang Xia , Meng Xiang-min , Jin Fan , Fan Yu-hua
Published: November 2018

Four multi-functional Co(ii) complexes are applied in removing organic dye molecules from the wastewater.
Room temperature growth of CH3NH3PbCl3 single crystals by solvent evaporation method
Authors: Nandi Pronoy , Giri Chandan , Swain Diptikanta , Manju U. , Topwal Dinesh
Published: November 2018

Rectangular shaped, high crystalline quality, defect free and colorless 3D perovskite single crystals of CH3NH3PbCl3 were grown using the solvent evaporation method at room temperature for the first time.
Core electron binding energies of adsorbates on Cu(111) from first-principles calculations
Authors: Kahk J. Matthias , Lischner Johannes
Published: November 2018

C1s and O1s core level binding energy shifts have been calculated for various adsorbates on Cu(111) using the ΔSCF method.
On the impact of competing intra- and intermolecular triplet-state quenching on photobleaching and photoswitching kinetics of organic fluorophores
Authors: Smit Jochem H. , van der Velde Jasper H. M. , Huang Jingyi , Trauschke Vanessa , Henrikus Sarah S. , Chen Si , Eleftheriadis Nikolaos , Warszawik Eliza M. , Herrmann Andreas , Cordes Thorben
Published: November 2018

How photostabilizer molecules influence the photophysical properties of various organic fluorophores used for single-molecule and super-resolution imaging.
Progress on ternary oxide-based photoanodes for use in photoelectrochemical cells for solar water splitting
Authors: Lee Dong Ki , Lee Dongho , Lumley Margaret A. , Choi Kyoung-Shin
Published: November 2018

Advancements made in the development of ternary oxide-based photoanodes for use in water splitting photoelectrochemical cells (PECs) are reviewed.
Electronicversussteric control in palladium complexes of carboranyl phosphine-iminophosphorane ligands
Authors: Rodríguez-Rey José Luis , Esteban-Gómez David , Platas-Iglesias Carlos , Sousa-Pedrares Antonio
Published: November 2018

Subtle changes in the electronic properties of C- and B3-carboranyl phosphineiminophosphoranes allows a fine control of the donor ability of the imine nitrogen atom, which results in Pd complexes with the ligands providing (P,N)-chelating or P-terminal coordination.
Biological impact of nanoscale lithium intercalating complex metal oxides to model bacteriumB. subtilis
Authors: Feng Z. Vivian , Miller Blake R. , Linn Taylor G. , Pho Thomas , Hoang Khoi Nguyen L. , Hang Mimi N. , Mitchell Stephanie L. , Hernandez Rodrigo Tapia , Carlson Erin E. , Hamers Robert J.
Published: November 2018

The wide applications of lithium intercalating complex metal oxides in energy storage devices call for a better understanding of their environmental impact at the end of their life cycle.
Evaluating the impacts of amino acids in the second and outer coordination spheres of Rh-bis(diphosphine) complexes for CO2 hydrogenation
Authors: Walsh Aaron P. , Laureanti Joseph A. , Katipamula Sriram , Chambers Geoffrey M. , Priyadarshani Nilusha , Lense Sheri , Bays J. Timothy , Linehan John C. , Shaw Wendy J.
Published: November 2018

The influence of a biologically inspired second and outer coordination sphere on Rh-bis(diphosphine) CO2 hydrogenation catalysts was explored.
Design, synthesis, and biological activity of novel ammonium salts containing sterically hindered phenolic fragment and phosphoryl group
Authors: Starodubtseva Ramilya R. , Gibadullina Elmira M. , Pazilova Nurbala B. , Sapunova Anastasiia S. , Voloshina Alexandra D. , Sudakov Igor A. , Vyshtakalyuk Alexandra B. , Pudovik Michael A. , Burilov Alexander R. , Bukharov Sergey V.
Published: November 2018

Novel multifunctional ammonium salts was obtained with high antimicrobial, antioxidant and low cytotoxic activity.
Controlling the Dirac point voltage of graphene by mechanically bending the ferroelectric gate of a graphene field effect transistor
Authors: Hu Guangliang , Wu Jingying , Ma Chunrui , Liang Zhongshuai , Liu Weihua , Liu Ming , Wu Judy Z. , Jia Chun-Lin
Published: November 2018

The linear shift in VDirac of a flexible GFET, caused by the flexoelectric effect of a PLZT gate, makes it enormously useful for both tuning the graphene doping state and detecting bending curvature.
Sulfhydryl functionalized graphene oxide for efficient preconcentration and photoablation of pathogenic bacteria
Authors: Chen Xuelei , Dai Xiaomei , Yu Yunjian , Wei Xiaosong , Zhang Xinge , Li Chaoxing
Published: November 2018

Sulfhydryl functionalized graphene oxide was synthesized for efficient preconcentration and photoablation of pathogenic bacteria.
Pyrazoline-based colorimetric and fluorescent probe for detection of sulphite
Authors: Uchacz Tomasz , Jajko Gabriela , Danel Andrzej , Szlachcic Paweł , Zapotoczny Szczepan
Published: November 2018

This work reports a novel Michael addition based sensor for fluorescence detection of sulphite in river water samples.
High-performance solar-blind SnO2 nanowire photodetectors assembled using optical tweezers
Authors: Yan Jianwei , Chen Yang , Wang Xiaowu , Fu Ying , Wang Juxiang , Sun Jia , Dai Guozhang , Tao Shaohua , Gao Yongli
Published: November 2018

An optical tweezer system is used to individually trap, transfer, and assemble SnO2 nanowires into two-terminal photodetectors in a liquid environment.
Motion recognition by a liquid filled tubular triboelectric nanogenerator
Authors: Yuan Zuqing , Du Xinyu , Niu Huidan , Li Nianwu , Shen Guozhen , Li Congju , Wang Zhong Lin
Published: November 2018

A liquid-polymer tubular triboelectric nanogenerator constructed by combing conductive liquid and a stretchable elastomer tube to achieve multifunctional sensing.
Correction: Dye-embedded YAG:Ce3+@SiO2 composite phosphors toward warm wLEDs through radiative energy transfer: preparation, characterization and luminescence properties
Authors: Pan Guo-Hui , Wu Huajun , He Shuai , Zhang Liangliang , Hao Zhendong , Zhang Xia , Zhang Jiahua
Published: November 2018

Correction for ‘Dye-embedded YAG:Ce3+@SiO2 composite phosphors toward warm wLEDs through radiative energy transfer: preparation, characterization and luminescence properties’ by Guo-Hui Pan, Jiahua Zhang et al., Nanoscale, 2018, DOI: 10.1039/c8nr07360k.
Visible-light induced decarboxylative C2-alkylation of benzothiazoles with carboxylic acids under metal-free conditions
Authors: Wang Bin , Li Pinhua , Miao Tao , Zou Long , Wang Lei
Published: November 2018

A photoredox catalyzed C2-alkylation of benzothiazoles with carboxylic acids was developed by using an acridinium salt as a photocatalyst and air as an oxidant.
Thermal runaway of large automotive Li-ion batteries
Authors: Golubkov Andrey W. , Planteu René , Krohn Philipp , Rasch Bernhard , Brunnsteiner Bernhard , Thaler Alexander , Hacker Viktor
Published: November 2018

Damaged or heavily over-heated Li-ion batteries in electric vehicles can transit into a thermal runaway reaction with further heat and gas release.
Pseudocapacitive-battery-like behavior of cobalt manganese nickel sulfide (CoMnNiS) nanosheets grown on Ni-foam by electrodeposition for realizing high capacity
Authors: Verma Mahesh , Yadav Rohit , Sinha Lichchhavi , Mali Sawanta S. , Hong Chang Kook , Shirage Parasharam M.
Published: November 2018

Hierarchical interconnected nanosheets (HIN) of cobalt manganese nickel sulfide (CoMnNiS) were synthesized on Ni foam by a simple and economical electrodeposition technique for energy storage application.
Efficient production of sugar-derived aldonic acids byPseudomonas fragiTCCC11892
Authors: Mao Shuhong , Liu Yanna , Hou Yali , Ma Xiaoyu , Yang Juanjuan , Han Haichao , Wu Jianlin , Jia Longgang , Qin Huimin , Lu Fuping
Published: November 2018

Pseudomonas fragiTCCC11892 was found to be an efficient producer of aldonic acids which are receiving increased interest due to their applications in nanotechnology, food, pharmaceutical and chemical industries.
Allosteric inhibition induces an open WPD-loop: a new avenue towards glioblastoma therapy
Authors: Agoni Clement , Ramharack Pritika , Soliman Mahmoud E. S.
Published: November 2018

Structural mechanism of inhibition of NAZ2329 at the allosteric site of PTPRZ, with particular emphasis on the dynamics of the WPD-loop.
Correction: Diffusion of methyl oleate in hierarchical micro-/mesoporous TS-1-based catalysts probed by PFG NMR spectroscopy
Authors: Dvoyashkin Muslim , Wilde Nicole , Haase Jürgen , Gläser Roger
Published: November 2018

Correction for ‘Diffusion of methyl oleate in hierarchical micro-/mesoporous TS-1-based catalysts probed by PFG NMR spectroscopy’ by Muslim Dvoyashkin et al., RSC Adv., 2018, 8, 38941–38944.
Continuous flow aerobic alcohol oxidation using a heterogeneous Ru0 catalyst
Authors: Sofack Kreutzer Julien , Vanoye Laurent , Guicheret Boris , Philippe Régis , Metay Estelle , Duclos Marie-Christine , Lemaire Marc , De Bellefon Claude , Fongarland Pascal , Favre-Réguillon Alain
Published: November 2018

Stable Ru0 on γ-Al2O3 has been used for the selective aerobic oxidation of benzyl alcohol in flow.
Chemical CD oscillation and chemical resonance phenomena in a competitive self-catalytic reaction system: a single temperature oscillation induces CD oscillations twice
Authors: Sawato Tsukasa , Shinozaki Yasuhiro , Saito Nozomi , Yamaguchi Masahiko
Published: November 2018

Chemical CD oscillation and chemical resonance phenomena appear in a competitive chemical reaction system involving amplification.
Dithiocarbamate-inspired side chain stapling chemistry for peptide drug design
Authors: Li Xiang , Tolbert W. David , Hu Hong-Gang , Gohain Neelakshi , Zou Yan , Niu Fan , He Wang-Xiao , Yuan Weirong , Su Jia-Can , Pazgier Marzena , Lu Wuyuan
Published: November 2018

A novel peptide stapling strategy based on the dithiocarbamate chemistry linking the side chains of residues Lys(i) and Cys(i + 4) of unprotected peptides is developed.
Block co-polyMOFs: morphology control of polymer–MOF hybrid materials
Authors: Ayala Sergio , Bentz Kyle C. , Cohen Seth M.
Published: November 2018

Block copolymers were used to generate metal–organic frameworks (MOFs) as novel materials (block co-polyMOFs, BCPMOFs) with controlled morphologies.
Dithioesters: simple, tunable, cysteine-selective H2S donors
Authors: Cerda Matthew M. , Newton Turner D. , Zhao Yu , Collins Brylee K. , Hendon Christopher H. , Pluth Michael D.
Published: November 2018

Dithioesters release H2S upon treatment with cysteine, and the rate can be tuned by structural and electronic modifications.
Crystal structure and improved thermoelectric performance of iron stabilized cubic Cu3SbS3compound
Authors: Du Baoli , Zhang Ruizhi , Liu Ming , Chen Kan , Zhang Hangfeng , Reece Michael J.
Published: November 2018

The high performance of the iron-stabilized cubic structure of Cu3SbS3makes it a strong candidate for thermoelectric application.
Moving target imaging in multistatic passive radar
Authors: Bączyk Marcin Kamil , Kulpa Krzysztof
Published: November 2018

This study presents the concept of multistatic passive images. Theoretical considerations are illustrated by the results obtained by imaging a small general aviation plane using DVB‐T signals. These results are compared with simulated images derived from the same scenarios in real‐life tests. The results described here show that it is possible to obtain ISAR images of aerial targets using multistatic passive radars based on DVB‐T signals. Such images could be next applied for non‐cooperative target recognition.
Knowledge‐aided detection for airborne MIMO radar by exploiting structured clutter spectrum
Authors: Zhao Xiang , He Zishu , Wang Yikai
Published: November 2018

In this study, the authors propose two knowledge‐aided detection schemes based on prior structured clutter information for airborne collocated multiple‐input multiple‐output (MIMO) radars. Based on a first‐order representation of the clutter spectrum, they propose the first‐order generalised likelihood ratio test (FO‐GLRT) detector. Meanwhile, Based on a second‐order representation of the clutter spectrum, they propose the second‐order GLRT (SO‐GLRT) detector. They also analyse and compare the detection performance of those two detectors in different situations. The FO‐GLRT detector can achieve acceptable performance without any secondary data, and thus immune to the clutter heterogeneity. The SO‐GLRT detector that exploits the structured clutter covariance matrix is able to achieve a nearly optimal performance in certain cases. Both the proposed detectors are suitable for the collocated MIMO radars, which have a high signal dimension and a large demand for independent identically distributed training samples. Simulations validate those results.
Bayesian approach to multiple extended targets tracking with random hypersurface models
Authors: Gao Lei , Jing Zhongliang , Li Minzhe , Pan Han
Published: November 2018

A Bayesian approach to multiple moving extended targets tracking is proposed for estimating the shape approximation of the extended targets in addition to their kinematics. Within this approach, the extended target extensions are modelled with random hypersurface models, and a new variant of probabilistic multi‐hypothesis tracking is used for modelling assignments of measurements to extended targets. Moreover, an approximate measurement update that arises directly from the analytical techniques of the variational Bayesian framework is derived to simultaneously estimate the posterior states iteratively including the shape and kinematics of each extended target. The performance of the proposed algorithm is demonstrated with simulated data.
Entropy based reconstruction technique for analysis of hybrid‐polarimetric SAR data
Authors: Kumar Ajeet , Panigrahi Rajib Kumar
Published: November 2018

The analysis of hybrid‐polarimetric (pol) data can be performed using any of the well‐established full‐pol decomposition techniques through reconstruction of pseudo quad‐pol data. This reconstruction requires estimation of cross‐polarisation () information from the hybrid‐pol measurements. In this study, the authors established a direct relationship to estimate from hybrid‐pol entropy. This proposed reconstruction approach overcomes the limitations related to the iterative based procedure implemented in the conventional Souyris’ reconstruction method. The proposed method also circumvents a non‐linear co‐ and cross‐pol linking used in Souyris’ method that holds only for volume scattering dominated areas. The comparative analysis over four different datasets indicates that the proposed method can perform better for the application of landcover classification, in comparison with conventional Souyris’ as well as recently reported Espeseth's reconstruction methods.
Beneficial impact of a thin tunnel barrier in quantum well intermediate-band solar cell
Authors: Cavassilas Nicolas , Suchet Daniel , Delamarre Amaury , Michelini Fabienne , Bescond Marc , Okada Yoshitaka , Sugiyama Masakazu , Guillemoles Jean-Francois
Published: November 2018

Based on electronic quantum transport modeling, we study the transition between the intermediate-band and the conduction-band in nano-structured intermediate-band solar cell. We show that a tunnel barrier between the quantum well (QW) and the host material could improve the current. The confinement generated by such a barrier favors the inter-subband optical coupling in the QW and then changes the excitation-collection trade-off. More surprisingly, we also show that tunneling impacts the radiative recombination and then the voltage. Using a detailed balance model we explain and we propose a broadening factor for this Voc modification. Finally we show that a thin tunnel barrier is beneficial for both current and voltage.
Prinzipien der Osteosynthese im Bereich des
Gesichtsschädels
Authors: Wilde Frank , Schramm Alexander
Published: November 2018

Während sich die Grundprinzipien der Osteosyntheseverfahren bei der
Gesichtsschädelrekonstruktion in den letzten Jahren wenig verändert haben, fand
durch Weiterentwicklung der Osteosynthesesysteme und Instrumente sowie durch die
Implementierung der computerassistierten Chirurgie einschließlich der Verwendung
anatomisch präformierter oder patientenspezifischer Implantate eine
entscheidende Weiterentwicklung statt.
Optimale Belastung
Authors: Glasgow Phil
Published: November 2018

Unter Sportphysiotherapeuten besteht weitgehend Einigkeit darüber, dass ein
sorgfältig geplantes und konsequent durchgeführtes Training das beste Mittel
ist, einen verletzten Sportler so schnell wie möglich in den Wettkampf
zurückzuführen. Doch wie findet man heraus, welche Belastungen man einem
Rekonvaleszenten zumuten kann? Phil Glasgow hat sich dazu grundlegende Gedanken
gemacht.
Metal-Free Synthesis of Biaryl- and Teraryl-Cored Diarylmethanes by Ring Transformation of 2H-Pyran-2-ones
Authors: Singh Fateh , Kole Priyanka
Published: November 2018

An efficient metal-free approach for the synthesis of functionalized biaryl-cored diarylmethanes is described by the ring transformation of 2H-pyran-2-ones using 4-phenylbutan-2-one as carbanion source. Moreover, 2H-pyran-2-ones were reacted with 1,3-diphenylacetone in the presence of base to achieve functionalized teraryl-cored diarylmethanes. All the ring transformation reactions were performed under mild reaction conditions to afford the biaryl- and teraryl-cored reaction products in high yields.
One-Pot Three-Component Synthesis of 2,4,5-Triaryl-1H-imidazoles in the Presence of a Molecular Sieve Supported Titanium Catalyst under Mild Basic Conditions
Authors: Hell Zoltán , Magyar Ágnes
Published: November 2018

A series of 2,4,5-trisubstituted-imidazoles has been synthesized with good to excellent yields by the one-pot condensation reaction of 1,2-dicarbonyl compounds, benzaldehydes, and ammonium acetate in the presence of 4 Å molecular sieves modified with titanium(IV) as an efficient heterogeneous catalyst. The catalyst could be recovered easily and reused without significant loss of activity.
The Involvement of Toll-like Receptor-2 in Arterial Thrombus Formation
Authors: Reinhardt Christoph
Published: November 2018

There is emerging evidence for the participation of toll-like receptor-2 (TLR2) expressed on platelets and endothelial cells in the setting of arterial thrombosis. In isolated human platelets, TLR2/1 activation was demonstrated to induce platelet activation, secretion, aggregation, adhesion to collagen coatings and the formation of platelet–leukocyte conjugates, whereas murine platelets were less sensitive to TLR2/1 stimulation. Also, endothelial cells can be activated by stimulation with TLR2 agonists, resulting in increased expression of adhesion molecules, synthesis of inflammatory mediators and Weibel–Palade body exocytosis. Endothelial TLR2 signalling promotes atherosclerotic lesion development in mouse atherosclerosis models. Experiments with germ-free mouse models demonstrated that the presence of commensal microbiota increased endothelial von Willebrand factor synthesis in the liver through TLR2. In the carotid artery ligation model, the elevated von Willebrand factor plasma levels enhanced platelet deposition to the injury site. Furthermore, in the hyperlipidemic ApoE-deficient mouse model, TLR2 deficiency was shown to protect from ferric chloride–induced carotid artery thrombosis. This review article provides an overview on TLR2 signalling in platelets and the vascular endothelium and summarizes how TLR2 signalling contributes to arterial thrombosis.
Isolated Fetal Cardiac Abnormalities: Are They Really Isolated?
Authors: Razavi Armin , Chasen Stephen
Published: November 2018

Objective To determine the rate of unsuspected noncardiac abnormalities in newborns suspected to have isolated cardiac abnormalities in the second trimester.

Study Design A review of the ultrasound database from the Weill Cornell Medical Center identified fetuses with a suspected cardiac abnormality from January 2006 to November 2016. Cases with prenatally suspected noncardiac structural abnormalities, abnormal fetal or neonatal karyotype or microarray, and those who delivered at an outside institution or underwent abortion were excluded. Neonatal records were reviewed to confirm prenatal findings and to identify anomalies not suspected in the second trimester.

Results Sixty-eight live births met the inclusion criteria. Five newborns (7.4%) had major abnormalities not identified in the second trimester. Three newborns had an imperforate anus. One newborn had left hydronephrosis and absent right lung, and one had hemifacial microsomia and fused ribs. All five newborns with unsuspected anomalies were in the group with suspected conotruncal anomalies, with a 11.9% rate of unsuspected anomalies versus 0% in those with nonconotruncal cardiac anomalies (p = 0.15).

Conclusion Patients with a suspected isolated fetal cardiac anomaly on ultrasound should be aware of the possibility of other major structural abnormalities, especially in cases of conotruncal cardiac anomalies.
Uncommon Complications after Anterior Cruciate Ligament Reconstruction
Authors: Palazzolo Anna , Rosso Federica , Bonasia Davide , Saccia Francesco , Rossi Roberto ,   Knee Committee SIGASCOT
Published: November 2018

Anterior cruciate ligament reconstruction (ACL-R) is a common surgical procedure, with good outcome in 75 to 97% of the cases. However, different complications have been described including infection, hemarthrosis, deep vein thrombosis (DVT), and pulmonary embolism (PE) with a rate ranging from 1 to 15%. There are few case reports in the literature describing rare complications after ACL-R and they can be divided into: (1) complications related to the fixation device (rupture, migration); (2) fractures (tibial or femoral side); (3) infections due to uncommon bacteria, mycobacterium, and mycosis; (4) rare vascular injuries; (5) nerve injuries; and (6) other rare complications. In case of fixation device rupture or migration, device removal can be easy but the diagnosis may be challenging. Patellar fracture after ACL-R may be related to harvesting and it is not uncommon. Conversely, femoral or tibial fractures are most frequently due to bone weakness related to bone tunnels. Some rare infections related to uncommon bacteria or mycosis are also described with potentially devastating joint damage. Popliteal artery injuries are uncommon in ACL-R but minor vessels damages are described with possible severe consequences for patients. Injuries to the infrapatellar branch of the saphenous nerve are not uncommon in ACL-R. However, there are few case reports also describing injuries to the saphenous nerve, the common peroneal nerve and the sciatic nerve. The aim of this paper is to review the literature describing uncommon complications after ACL-R, giving some more information about diagnosis and treatment.
Risk Factors and Maternal Morbidity Associated with Unintentional Hysterotomy Extension at the Time of Cesarean Delivery
Authors: Bligard Katherine H. , Durst Jennifer K. , Stout Molly J. , Martin Shannon , Cahill Alison G. , Macones George A. , Tuuli Methodius G.
Published: November 2018

Objective Our aim was to estimate the incidence of unintentional hysterotomy extension at the time of cesarean delivery and to identify associated risk factors and maternal morbidity.

Study Design We conducted a secondary analysis of a randomized controlled trial evaluating chlorhexidine-alcohol versus iodine-alcohol for skin antisepsis in women undergoing cesarean delivery. We included patients with a low transverse hysterotomy. The primary outcome was the incidence of unintentional hysterotomy extension. Logistic regression was performed to identify independent factors associated with hysterotomy extension. Maternal morbidity was compared between patients with and without extension.

Results Of 1,038 patients meeting the inclusion criteria, 71 (6.8%; 95% confidence interval [CI]: 5.4–8.5%) experienced a hysterotomy extension. Of several potential risk factors assessed, the second stage of labor was the only independent predictor of hysterotomy extension (adjusted odds ratio: 10.2; 95% CI: 2.6–39.8). Hysterotomy extension was associated with increased operative time (73 vs. 55.3 minutes; p< 0.01), need for blood transfusion (relative risk: 5; 95% CI: 1.6–15.2), and rate of additional surgical injury (RR: 17; 95% CI: 6.9–41.8).

Conclusion Hysterotomy extensions are not infrequent at the time of cesarean delivery and are associated with increased maternal morbidity. Cesarean delivery during the second stage of labor is the main independent risk factor for hysterotomy extension.
Control of voltage-driven instabilities in cardiac myocytes with memory
Authors: Landaw Julian , Qu Zhilin
Published: November 2018

Sudden cardiac death is known to be associated with dynamical instabilities in the heart, and thus control of dynamical instabilities is considered a potential therapeutic strategy. Different control methods were developed previously, including time-delayed feedback pacing control and constant diastolic interval pacing control. Experimental, theoretical, and simulation studies have examined the efficacy of these control methods in stabilizing action potential dynamics. In this study, we apply these control methods to control complex action potential (AP) dynamics under two diseased conditions: early repolarization syndrome and long QT syndrome, in which voltage-driven instabilities occur in the presence of short-term cardiac memory. In addition, we also develop a feedback pacing method to stabilize these instabilities. We perform theoretical analyses using iterated map models and carry out numerical simulations of AP models. We show that under the normal condition where the memory effect is minimal, all three methods can effectively control the action potential duration (APD) dynamics. Under the two diseased conditions where the memory effect is exacerbated, constant diastolic pacing control is least effective, while the feedback pacing control is most effective. Under a very strong memory effect, all three methods fail to stabilize the voltage-driven instabilities. The failure of effective control is due to memory and the all-or-none AP dynamics which results in very steep changes in APD.
NanoMine schema: An extensible data representation for polymer nanocomposites
Authors: Zhao He , Wang Yixing , Lin Anqi , Hu Bingyin , Yan Rui , McCusker James , Chen Wei , McGuinness Deborah L. , Schadler Linda , Brinson L. Catherine
Published: November 2018

Polymer nanocomposites consist of a polymer matrix and fillers with at least one dimension below 100 nanometers (nm) [L. Schadler et al., Jom 59(3), 53–60 (2007)]. A key challenge in constructing an effective data resource for polymer nanocomposites is building a consistent, coherent, and clear data representation of all relevant parameters and their interrelationships. The data resource must address (1) data representation for representing, saving, and accessing the data (e.g., a data schema used in a data resource such as a database management system), (2) data contribution and uploading (e.g., an MS Excel template file that users can use to input data), (3) concept and knowledge modeling in a computationally accessible form (e.g., generation of a knowledge graph and ontology), and (4) ultimately data analytics and mining for new materials discovery. This paper addresses the first three issues, paving the way for rich, nuanced data analysis. We present the NanoMine polymer nanocomposite schema as an XML-based data schema designed for nanocomposite materials data representation and distribution and discuss its relationship to a higher level polymer data core consistent with other centralized materials data efforts. We also demonstrate aspects of data entry in an accessible manner consistent with the XML schema and discuss our mapping and augmentation approach to provide a more comprehensive representation in the form of an ontology and an ontology-enabled knowledge graph framework for nanopolymer systems. The schema and ontology and their easy accessibility and compatibility with parallel material standards provide a platform for data storage and search, customized visualization, and machine learning tools for material discovery and design.
Superfocusing plate of terahertz waves based on a gradient refractive index metasurface
Authors: Han Feng-Yuan , Huang Tie-Jun , Yin Li-Zheng , Liu Jiang-Yu , Liu Pu-Kun
Published: November 2018

A new scenario to realize superfocusing of terahertz waves based on a gradient index (GRIN) metasurface is proposed. To design the GRIN material, a robust algorithm is presented and numerically demonstrated to retrieve the constitutive effective parameters (permittivity and permeability) of the metasurface from the measurement of S parameters. In addition, a new kind of unit cell with a simple structure is designed to verify the theory of effective parameters. By computing the effective refractive index of the unit cell using the algorithm, we design a plate with a thickness of approximately 0.11λ0 (free-space wavelength) at 0.967 THz to superfocus terahertz waves in one dimension. We also revise the theory of superfocusing to make full use of the coupling effect among the cells in the plate and are able to demonstrate it. Comprehensive simulations of focusing are provided, and the full width at half-maximum beam width reaches up to 0.167λ0 at a distance of 0.2λ0. The focusing depth can be further enhanced by decreasing the cell size of the metasurface. This work is beneficial for metasurface design, super-resolution imaging, and other applications in the near field.