bluuebunny/crossref_metadata_2025 huggingface dataset:
Locating Order-Disorder Phase Transition in a Cardiac System
Authors: Ashikaga Hiroshi , Asgari-Targhi Ameneh
Published: January 2018

To prevent sudden cardiac death, predicting where in the cardiac system an order-disorder phase transition into ventricular fibrillation begins is as important as when it begins. We present a computationally efficient, information-theoretic approach to predicting the locations of the wavebreaks. Such wavebreaks initiate fibrillation in a cardiac system where the order-disorder behavior is controlled by a single driving component, mimicking electrical misfiring from the pulmonary veins or from the Purkinje fibers. Communication analysis between the driving component and each component of the system reveals that channel capacity, mutual information and transfer entropy can locate the wavebreaks. This approach is applicable to interventional therapies to prevent sudden death, and to a wide range of systems to mitigate or prevent imminent phase transitions.
TT(N)mGCCTC inhibits archaeal family B DNA polymerases
Authors: Sun Shuhui , Guo Wei , Yang Jin-Shu , Qiu Mengsheng , Zhu Xiao-Jing , Dai Zhong-Min
Published: January 2018

The proofreading activity of the archaeal family B DNA polymerases enables PCR with high fidelity. However, thermostable proofreading DNA polymerases occasionally failed to amplify target fragment that could be amplified by Taq DNA polymerase. We have previously showed that G-rich sequences, which form G-quadruplex, can bind to and inhibit proofreading DNA polymerases. Here we showed that single-stranded oligonucleotides containing sequences of TT(N)mGCCTC can bind and inhibit archaeal family B DNA polymerases but not Taq DNA polymerase. It is very likely that TT(N)mGCCTC inhibits thermostable DNA polymerases during PCR in a single-stranded form. To the best of our knowledge, this is the first example of DNA sequence that could inhibit DNA polymerase in its single-stranded form.
Development and validation of risk prediction models for cardiovascular mortality in Chinese people initialising peritoneal dialysis: a cohort study
Authors: Yu Dahai , Cai Yamei , Chen Ying , Chen Tao , Qin Rui , Zhao Zhanzheng , Simmons David
Published: January 2018

Cardiovascular disease is the leading cause of death among patients receiving peritoneal dialysis. We aimed to develop and validate a risk prediction model for cardiovascular death within 2 years after the initiation of peritoneal dialysis (PD). A cohort including all patients registered with the Henan Peritoneal Dialysis Registry (HPDR) between 2007 and 2014. Multivariate logistic regression analysis was used to develop the risk prediction model. The HPDR data was randomly divided into two cohorts with 60% (1,835 patients) for model derivation, and 40% (1,219 patients) for model validation. The absolute rate of cardiovascular mortality was 14.2% and 14.4 in the derivation and validation cohort, respectively. Age, body mass index, blood pressure, serum lipids, fasting glucose, sodium, albumin, total protein, and phosphorus were the strongest predictors of cardiovascular mortality in the final model. Discrimination of the model was similar in both cohorts, with a C statistic above 0.70, with good calibration of observed and predicted risks. The new prediction model that has been developed and validated with clinical measurements that are available at the point of initiation of PD and could serve as a tool to screen for patients at high risk of cardiovascular death and tailor more intensive cardio-protective care.
Oxidative C-H activation of amines using protuberant lychee-like goethite
Authors: Verma Sanny , Baig R. B. Nasir , Nadagouda Mallikarjuna N. , Varma Rajender S.
Published: January 2018

Goethite with protuberant lychee morphology has been synthesized that accomplishes C-H activation of N-methylanilines to generate α-aminonitriles; the catalyst takes oxygen from air and uses it as a co-oxidant in the process.
High-throughput sequencing analysis revealed the regulation patterns of small RNAs on the development of A. comosus var. bracteatus leaves
Authors: Xiong Ying-Yuan , Ma Jun , He Ye-Hua , Lin Zhen , Li Xia , Yu San-Miao , Li Rui-Xue , Jiang Fu-Xing , Li Xi , Huang Zhuo , Sun Ling-Xia
Published: January 2018

Studies of the molecular mechanisms involved in the formation of the albino leaf cells are important for understanding the development of chimera leaves in Ananas comosus var. bracteatus. In this study, we identified a total of 163 novel miRNAs involved in the development of complete white (CWh) and complete green (CGr) leaves using high-throughput sequencing method. The potential miRNA target genes were predicted and annotated using the NR, Swiss-Prot, GO, COG, KEGG, KOG and Pfam databases. The main biological processes regulated by miRNAs were revealed. The miRNAs which potentially play important roles in the development of the leaves and the albino of the CWh leaf cells were selected and their expression patterns were analyzed. The expression levels of nine miRNAs and their potential target genes were studied using qRT-PCR. These results will help to elucidate the functional and regulatory roles of miRNAs in the formation of the albino cells and the development of the leaves of A. comosus var. bracteatus. These data may also be helpful as a resource for studies of small RNA in other leaf color chimeric plant species.
Magneto-optical detection of spin accumulation under the influence of mechanical rotation
Authors: Hirohata Atsufumi , Baba Yuji , Murphy Benedict A. , Ng Benny , Yao Yunqi , Nagao Kazuki , Kim Jun-young
Published: January 2018

The generation of spin-polarised carriers in a non-magnetic material holds the key to realise highly efficient spintronic devices. Recently, it has been shown that the large spin-orbit coupling can generate spin-polarised currents in noble metals such as tungsten and platinum. Especially, if small samples of such metals are rotated on a plane disc in the presence of a perpendicular magnetic field, the orbital angular momentum is altered leading to a segregation of spin up and spin down electrons, i.e., a spin current in the samples. This is manifested via an induced magnetic moment on the metal. In this letter, magneto-optical Kerr effect (MOKE) is used to detect induced magnetic moments which allows remote measurements on metal samples rotating at 100~210 Hz. Our results confirm the mechanical generation of spin-polarised currents via optical detection of spin accumulation.
The intrinsically disordered Tarp protein from chlamydia binds actin with a partially preformed helix
Authors: Tolchard James , Walpole Samuel J. , Miles Andrew J. , Maytum Robin , Eaglen Lawrence A. , Hackstadt Ted , Wallace B. A. , Blumenschein Tharin M. A.
Published: January 2018

Tarp (translocated actin recruiting phosphoprotein) is an effector protein common to all chlamydial species that functions to remodel the host-actin cytoskeleton during the initial stage of infection. In C. trachomatis, direct binding to actin monomers has been broadly mapped to a 100-residue region (726–825) which is predicted to be predominantly disordered, with the exception of a ~10-residue α-helical patch homologous to other WH2 actin-binding motifs. Biophysical investigations demonstrate that a Tarp726–825 construct behaves as a typical intrinsically disordered protein; within it, NMR relaxation measurements and chemical shift analysis identify the ten residue WH2-homologous region to exhibit partial α-helix formation. Isothermal titration calorimetry experiments on the same construct in the presence of monomeric G-actin show a well defined binding event with a 1:1 stoichiometry and Kd of 102 nM, whilst synchrotron radiation circular dichroism spectroscopy suggests the binding is concomitant with an increase in helical secondary structure. Furthermore, NMR experiments in the presence of G-actin indicate this interaction affects the proposed WH2-like α-helical region, supporting results from in silico docking calculations which suggest that, when folded, this α-helix binds within the actin hydrophobic cleft as seen for other actin-associated proteins.
Predator arrival elicits differential dispersal, change in age structure and reproductive performance in a prey population
Authors: Payo-Payo A. , Sanz-Aguilar A. , Genovart M. , Bertolero A. , Piccardo J. , Camps D. , Ruiz-Olmo J. , Oro D.
Published: January 2018

Predators are an important ecological and evolutionary force shaping prey population dynamics. Ecologists have extensively assessed the lethal effects of invasive predators on prey populations. However, the role of non-lethal effects, such as physiological stress or behavioural responses like dispersal, has been comparatively overlooked and their potential population effects remain obscure. Over the last 23 years, we developed a mark-recapture program for the Audouin’s gull and an intensive carnivore monitoring program to assess how the appearance and invasion of the study site by carnivores affects population dynamics. We evaluate changes in turnover of discrete breeding patches within the colony, age structure and breeding performance. Once carnivores entered the colony, the number of occupied patches increased, indicating a higher patch turnover. Breeders responded by moving to areas less accessible to carnivores. More importantly, the presence of carnivores caused differential (and density-independent) breeding dispersal: experienced, better-performing breeders were more likely to leave the colony than younger breeders. This differential dispersal modified the age structure and reduced the reproductive performance of the population. Our results confirm the importance experience in the study of populations. The role of differential dispersal for animal population dynamics might be more important than previously thought, especially under scenarios of global change.
Metallic phase in stoichiometric CeOBiS2 revealed by space-resolved ARPES
Authors: Sugimoto T. , Paris E. , Wakita T. , Terashima K. , Yokoya T. , Barinov A. , Kajitani J. , Higashinaka R. , Matsuda T. D. , Aoki Y. , Mizokawa T. , Saini N. L.
Published: January 2018

Recently CeOBiS2 system without any fluorine doping is found to show superconductivity posing question on its origin. Using space resolved ARPES we have found a metallic phase embedded in the morphological defects and at the sample edges of stoichiometric CeOBiS2. While bulk of the sample is semiconducting, the embedded metallic phase is characterized by the usual electron pocket at X point, similar to the Fermi surface of doped BiS2-based superconductors. Typical size of the observed metallic domain is larger than the superconducting correlation length of the system suggesting that the observed superconductivity in undoped CeOBiS2 might be due to this embedded metallic phase at the defects. The results also suggest a possible way to develop new systems by manipulation of the defects in these chalcogenides with structural instability.
Anti-Rift Valley fever virus activity in vitro, pre-clinical pharmacokinetics and oral bioavailability of benzavir-2, a broad-acting antiviral compound
Authors: Islam Md. Koushikul , Strand Mårten , Saleeb Michael , Svensson Richard , Baranczewski Pawel , Artursson Per , Wadell Göran , Ahlm Clas , Elofsson Mikael , Evander Magnus
Published: January 2018

Rift Valley fever virus (RVFV) is a mosquito-borne hemorrhagic fever virus affecting both humans and animals with severe morbidity and mortality and is classified as a potential bioterror agent due to the possible aerosol transmission. At present there is no human vaccine or antiviral therapy available. Thus, there is a great need to develop new antivirals for treatment of RVFV infections. Benzavir-2 was previously identified as potent inhibitor of human adenovirus, herpes simplex virus type 1, and type 2. Here we assess the anti-RVFV activity of benzavir-2 together with four structural analogs and determine pre-clinical pharmacokinetic parameters of benzavir-2. In vitro, benzavir-2 efficiently inhibited RVFV infection, viral RNA production and production of progeny viruses. In vitro, benzavir-2 displayed satisfactory solubility, good permeability and metabolic stability. In mice, benzavir-2 displayed oral bioavailability with adequate maximum serum concentration. Oral administration of benzavir-2 formulated in peanut butter pellets gave high systemic exposure without any observed toxicity in mice. To summarize, our data demonstrated potent anti-RVFV activity of benzavir-2 in vitro together with a promising pre-clinical pharmacokinetic profile. This data support further exploration of the antiviral activity of benzavir-2 in in vivo efficacy models that may lead to further drug development for human use.
Innovatively Continuous Mass Production Couette-taylor Flow: Pure Inorganic Green-Emitting Cs4PbBr6 Perovskite Microcrystal for display technology
Authors: Song Young Hyun , Choi Seung Hee , Park Won Kyu , Yoo Jin Sun , Kwon Seok Bin , Kang Bong Kyun , Park Sang Ryul , Seo Young Soo , Yang Woo Seok , Yoon Dae Ho
Published: January 2018

We report for the first time the mass production of Cs4PbBr6 perovskite microcrystal with a Couette-Taylor flow reactor in order to enhance the efficiency of the synthesis reaction. We obtained a pure Cs4PbBr6 perovskite solid within 3 hrs that then realized a high photoluminescence quantum yield (PLQY) of 46%. Furthermore, the Cs4PbBr6 perovskite microcrystal is applied with red emitting K2SiF6 phosphor on a blue-emitting InGaN chip, achieving a high-performance luminescence characteristics of 9.79 lm/W, external quantum efficiency (EQE) of 2.9%, and correlated color temperature (CCT) of 2976 K; therefore, this perovskite is expected to be a promising candidate material for applications in optoelectronic devices.
Micro 3D Printing of a Temperature-Responsive Hydrogel Using Projection Micro-Stereolithography
Authors: Han Daehoon , Lu Zhaocheng , Chester Shawn A. , Lee Howon
Published: January 2018

Stimuli-responsive hydrogels exhibiting physical or chemical changes in response to environmental conditions have attracted growing attention for the past few decades. Poly(N-isopropylacrylamide) (PNIPAAm), a temperature responsive hydrogel, has been extensively studied in various fields of science and engineering. However, manufacturing of PNIPAAm has been heavily relying on conventional methods such as molding and lithography techniques that are inherently limited to a two-dimensional (2D) space. Here we report the three-dimensional (3D) printing of PNIPAAm using a high-resolution digital additive manufacturing technique, projection micro-stereolithography (PμSL). Control of the temperature dependent deformation of 3D printed PNIPAAm is achieved by controlling manufacturing process parameters as well as polymer resin composition. Also demonstrated is a sequential deformation of a 3D printed PNIPAAm structure by selective incorporation of ionic monomer that shifts the swelling transition temperature of PNIPAAm. This fast, high resolution, and scalable 3D printing method for stimuli-responsive hydrogels may enable many new applications in diverse areas, including flexible sensors and actuators, bio-medical devices, and tissue engineering.
Comparison of a PCR assay using novel selective primers with current methods in terms of ABO blood phenotyping in rhesus macaques
Authors: Choi Yun-Jung , Ryu Rae Hyung , Park Hye-Jin , Lee Jae-Il
Published: January 2018

Nonhuman primates are important animal models in transplantation. To prevent fatal transplantation-induced immune responses, it is necessary to accurately phenotype the monkey ABH antigens, which are the same as those in humans but (unlike in humans) are not expressed on red blood cells (RBCs). We compared the ability of two established ABO-typing methods, namely, serological testing and immunohistochemistry (IHC), and our novel polymerase chain reaction (PCR)-based assay to type 66 rhesus monkeys. The serological test assessed the ability of monkey sera to hemagglutinate human RBCs. The IHC assay measured the binding of murine anti-A and anti-B antibodies to monkey buccal mucosa cells. The whole blood-based PCR assay involved selective primers that were derived from the exon 7 sequences of A+, B+, and O+ monkeys. IHC and PCR unequivocally yielded the same types in all monkeys. Serological testing yielded inconsistent types in seven (10.6%). FACS analysis with monkey sera preabsorbed with O+ RBCs showed that the incorrect serological results related to nonspecific or xenoreactive binding of the human RBCs. Unlike previous PCR-based assay, our algorithm directly detected O+ monkeys and A and B homozygotes and heterozygotes. Given the logistical limitations of IHC, this PCR assay may be useful for typing rhesus monkeys.
Photonic Generation of High Power, Ultrastable Microwave Signals by Vernier Effect in a Femtosecond Laser Frequency Comb
Authors: Saleh Khaldoun , Millo Jacques , Marechal Baptiste , Dubois Benoît , Bakir Ahmed , Didier Alexandre , Lacroûte Clément , Kersalé Yann
Published: January 2018

Optical frequency division of an ultrastable laser to the microwave frequency range by an optical frequency comb has allowed the generation of microwave signals with unprecedently high spectral purity and stability. However, the generated microwave signal will suffer from a very low power level if no external optical frequency comb repetition rate multiplication device is used. This paper reports theoretical and experimental studies on the beneficial use of the Vernier effect together with the spectral selective filtering in a double directional coupler add-drop optical fibre ring resonator to increase the comb repetition rate and generate high power microwaves. The studies are focused on two selective filtering aspects: the high rejection of undesirable optical modes of the frequency comb and the transmission of the desirable modes with the lowest possible loss. Moreover, the conservation of the frequency comb stability and linewidth at the resonator output is particularly considered. Accordingly, a fibre ring resonator is designed, fabricated, and characterized, and a technique to stabilize the resonator’s resonance comb is proposed. A significant power gain is achieved for the photonically generated beat note at 10 GHz. Routes to highly improve the performances of such proof-of-concept device are also discussed.
Adherence to diet recommendations and risk of abdominal aortic aneurysm in the Malmö Diet and Cancer Study
Authors: Nordkvist Sara , Sonestedt Emily , Acosta Stefan
Published: January 2018

The research examining the association between quality of diet and abdominal aortic aneurysm (AAA) is scarce. The aim of the present study was to explore the association between diet quality and development of AAA for middle-aged individuals in the Malmö Diet and Cancer Study (MDCS), a prospective cohort study with baseline data collection carried out between 1991 and 1996. At baseline, the study participants who were eligible for this study (n = 26133) documented their dietary habits in a food diary and questionnaire. Incident AAA cases during an average of 20.7 years of follow-up were identified by using registers. A diet quality index consisting of six components, saturated fat, polyunsaturated fat, fibre, sucrose, fruits and vegetables and fish and shellfish, was used to assess the diet quality. After adjusting for potential confounders, the diet quality index was not associated with incident AAA. However, a tendency of decreased risk was observed among individuals adhering to recommendations for fruit and vegetables compared with non-adherence. When comparing the risk of more extreme intake groups, high intakes of both fruits and vegetables were associated with decreased risk.
AmrZ is a major determinant of c-di-GMP levels in Pseudomonas fluorescens F113
Authors: Muriel Candela , Arrebola Eva , Redondo-Nieto Miguel , Martínez-Granero Francisco , Jalvo Blanca , Pfeilmeier Sebastian , Blanco-Romero Esther , Baena Irene , Malone Jacob G. , Rivilla Rafael , Martín Marta
Published: January 2018

The transcriptional regulator AmrZ is a global regulatory protein conserved within the pseudomonads. AmrZ can act both as a positive and a negative regulator of gene expression, controlling many genes implicated in environmental adaption. Regulated traits include motility, iron homeostasis, exopolysaccharides production and the ability to form biofilms. In Pseudomonas fluorescens F113, an amrZ mutant presents a pleiotropic phenotype, showing increased swimming motility, decreased biofilm formation and very limited ability for competitive colonization of rhizosphere, its natural habitat. It also shows different colony morphology and binding of the dye Congo Red. The amrZ mutant presents severely reduced levels of the messenger molecule cyclic-di-GMP (c-di-GMP), which is consistent with the motility and biofilm formation phenotypes. Most of the genes encoding proteins with diguanylate cyclase (DGCs) or phosphodiesterase (PDEs) domains, implicated in c-di-GMP turnover in this bacterium, appear to be regulated by AmrZ. Phenotypic analysis of eight mutants in genes shown to be directly regulated by AmrZ and encoding c-di-GMP related enzymes, showed that seven of them were altered in motility and/or biofilm formation. The results presented here show that in P. fluorescens, AmrZ determines c-di-GMP levels through the regulation of a complex network of genes encoding DGCs and PDEs.
Polarization-maintaining reflection-mode THz time-domain spectroscopy of a polyimide based ultra-thin narrow-band metamaterial absorber
Authors: Astorino Maria Denise , Fastampa Renato , Frezza Fabrizio , Maiolo Luca , Marrani Marco , Missori Mauro , Muzi Marco , Tedeschi Nicola , Veroli Andrea
Published: January 2018

This paper reports the design, the microfabrication and the experimental characterization of an ultra-thin narrow-band metamaterial absorber at terahertz frequencies. The metamaterial device is composed of a highly flexible polyimide spacer included between a top electric ring resonator with a four-fold rotational symmetry and a bottom ground plane that avoids misalignment problems. Its performance has been experimentally demonstrated by a custom polarization-maintaining reflection-mode terahertz time-domain spectroscopy system properly designed in order to reach a collimated configuration of the terahertz beam. The dependence of the spectral characteristics of this metamaterial absorber has been evaluated on the azimuthal angle under oblique incidence. The obtained absorbance levels are comprised between 67% and 74% at 1.092 THz and the polarization insensitivity has been verified in transverse electric polarization. This offers potential prospects in terahertz imaging, in terahertz stealth technology, in substance identification, and in non-planar applications. The proposed compact experimental set-up can be applied to investigate arbitrary polarization-sensitive terahertz devices under oblique incidence, allowing for a wide reproducibility of the measurements.
Hydrogen storage of Li4&B36 cluster
Authors: Du Jiguang , Sun Xiyuan , Zhang Li , Zhang Chuanyu , Jiang Gang
Published: January 2018

The Saturn-like charge-transfer complex Li4&B36, which was recently predicted with extensive first-principles theory calculations, were studied as a candidate for hydrogen storage material in the present work. The bonding characters of Li-B, B-B and Li-H2bonds were revealed by the quantum theory of atoms in molecules (QTAIM). Each Li atom in Li4&B36cluster can bind six H2molecules at most, which results into the gravimetric density of 10.4%. The adsorption energies of H2molecules on Li4&B36cluster are predicted in the range of 0.08-0.14 eV at thewB97xlevel of theory.
MGAT1 and Complex N-Glycans Regulate ERK Signaling During Spermatogenesis
Authors: Biswas Barnali , Batista Frank , Sundaram Subha , Stanley Pamela
Published: January 2018

Mechanisms that regulate spermatogenesis in mice are important to define as they often apply to fertility in man. We previously showed that conditional deletion of the mouse Mgat1 gene (Mgat1 cKO) in spermatogonia causes a germ-cell autonomous defect leading to infertility. MGAT1 is the N-acetylglucosaminyltransferase (GlcNAcT-I) that initiates the synthesis of complex N-glycans. Mechanistic bases of MGAT1 loss were investigated in germ cells from 22- and 23-day males, before any changes in germ cell morphology were apparent. Gene expression changes induced by deletion of Mgat1 were determined using the Affymetrix gene chip Mouse Mogene 2.0 ST array, and relationships were investigated by bioinformatics including Gene Ontology (GO), Ingenuity Pathway Analysis (IPA), and Gene Set Enrichment Analysis (GSEA). The loss of complex N-glycans promoted the premature up-regulation of genes normally expressed later in spermatogenesis and spermiogenesis, and IPA and GSEA implicated ERK signaling. EGFR and PDGFRA transcripts and ERK1/2 signaling were reduced in 22-day Mgat1 cKO germ cells. Basigin, a germ cell target of MGAT1, activated ERK1/2 in CHO cells, but not in a Lec1 CHO mutant that lacks MGAT1 and complex N-glycans. Thus, MGAT1 is required to regulate ERK1/2 signaling during spermatogenesis, potentially via different mechanisms.
Dramatic declines in snowpack in the western US
Authors: Mote Philip W. , Li Sihan , Lettenmaier Dennis P. , Xiao Mu , Engel Ruth
Published: January 2018

Mountain snowpack stores a significant quantity of water in the western US, accumulating during the wet season and melting during the dry summers and supplying much of the water used for irrigated agriculture, and municipal and industrial uses. Updating our earlier work published in 2005, we find that with 14 additional years of data, over 90% of snow monitoring sites with long records across the western US now show declines, of which 33% are significant (vs. 5% expected by chance) and 2% are significant and positive (vs. 5% expected by chance). Declining trends are observed across all months, states, and climates, but are largest in spring, in the Pacific states, and in locations with mild winter climate. We corroborate and extend these observations using a gridded hydrology model, which also allows a robust estimate of total western snowpack and its decline. We find a large increase in the fraction of locations that posted decreasing trends, and averaged across the western US, the decline in average April 1 snow water equivalent since mid-century is roughly 15–30% or 25–50 km3, comparable in volume to the West’s largest man-made reservoir, Lake Mead.
Protein-engineered hydrogels enhance the survival of induced pluripotent stem cell-derived endothelial cells for treatment of peripheral arterial disease
Authors: Foster Abbygail A. , Dewi Ruby E. , Cai Lei , Hou Luqia , Strassberg Zachary , Alcazar Cynthia A. , Heilshorn Sarah C. , Huang Ngan F.
Published: January 2018

A protein-engineered hydrogel was designed for promoting cell survival and therapeutic efficacy of human induced pluripotent stem cell-derived endothelial cells.
Amorphous TiO2@NH2-MIL-125(Ti) homologous MOF-encapsulated heterostructures with enhanced photocatalytic activity
Authors: Li Xiyi , Pi Yunhong , Hou Qingqing , Yu Hao , Li Zhong , Li Yingwei , Xiao Jing
Published: January 2018

We have provided the first case of successfully synthesising amorphous TiO2@NH2-MIL-125(Ti) MOF-encapsulated heterostructures by a facile process.
Developing ciprofloxacin analogues against plant DNA gyrase: a novel herbicide mode of action
Authors: Wallace Michael D. , Waraich Nidda F. , Debowski Aleksandra W. , Corral Maxime G. , Maxwell Anthony , Mylne Joshua S. , Stubbs Keith A.
Published: January 2018

The development of ciprofloxacin analogues against plant DNA gyrase, a novel herbicidal target, with increased herbicidal activity and diminished antibacterial activity is described.
Manifestation of axiotaxy induced by the (10.4) plane in high-temperature-grown bismuth telluride films on InP(111)
Authors: Takagaki Y. , Jenichen B. , Trampert A.
Published: January 2018

The axiotaxy of BiTe films on InP(111) was identified to be caused by the (10.4) plane of BiTe.
Weak interactions cause selective cocrystal formation of lanthanide nitrates and tetra-2-pyridinylpyrazine
Authors: Zeng Cheng-Hui , Wu Haiming , Luo Zhixun , Yao Jiannian
Published: January 2018

Two series of cocrystals Ln(NO3)5·H2TPPZ are synthesized enlightening the lanthanide contraction effect and weak hydrogen bonding interactions in determining the selective cocrystallization, stability and energy transfer for luminescence.
Probing halogen⋯halogen interactions via thermal expansion analysis
Authors: Ovens Jeffrey S. , Leznoff Daniel B.
Published: January 2018

The magnitude of the thermal expansion of the 1-D chain coordination polymer Cu(MeCN)2[AuX2(CN)2] (X = Cl, Br, I) is significantly reduced in the presence of interchain halogen⋯halogen interactions.
The influence of the size and symmetry of cations and anions on the physicochemical behavior of organic ionic plastic crystal electrolytes mixed with sodium salts
Authors: Makhlooghiazad F. , Guazzagaloppa J. , O’Dell L. A. , Yunis R. , Basile A. , Howlett P. C. , Forsyth M.
Published: January 2018

The influence of cations and anions chemistry on the physicochemical behaviour of OIPCs mixed with Na salts is illustrated.
Prediction of topological property in TlPBr2 monolayer with appreciable Rashba effect
Authors: Yuan Min , Ji Wei-xiao , Ren Miao-juan , Li Ping , Li Feng , Zhang Shu-feng , Zhang Chang-wen , Wang Pei-ji
Published: January 2018

Two-dimensional TlPBr2 monolayer is an appropriate candidate for hosting nontrivial topological state and controllable Rashba spin splitting, and shows great potential applications in spintronics.
Nanopore-mediated ultrashort laser-induced formation and erasure of volume nanogratings in glass
Authors: Rudenko Anton , Colombier Jean-Philippe , Itina Tatiana E.
Published: January 2018

The phenomena involved in the formation and erasure of ultrashort laser-induced volume nanogratings in glass are elucidated by a coupled multiphysical approach.
Electrochemically controlled winding and unwinding of substrate-supported carbon nanoscrolls
Authors: Tarábková H. , Zelinger Z. , Janda P.
Published: January 2018

Carbon nanoscrolls (CNSs) formed spontaneously on the basal plane of highly ordered pyrolytic graphite (HOPG) show winding and unwinding movements when potential steps from 0 V to −0.5 V, −0.6 V and −0.9 V are applied on HOPG immersed in an aqueous electrolyte solution (0.1 M H2SO4).
Probing the surface fine structure through electrochemical oscillations
Authors: Previdello B. A. F. , Fernández P. S. , Tremiliosi-Filho G. , Varela H.
Published: January 2018

In the course of (electro)catalytic reactions, reversible and irreversible changes, namely the formation of adsorbed poisons, catalyst degradation, surface roughening, etc., take place at distinct time-scales.
Intermolecular and very strong intramolecular C–Se⋯O/N chalcogen bonds in nitrophenyl selenocyanate crystals
Authors: Wang Hui , Liu Ju , Wang Weizhou
Published: January 2018

Different bonding strengths of C–Se⋯O/N chalcogen bonds involved in polymorphico-NSC (1a/1b) and monomorphicp-NSC (2) result in different thermal properties.
Chiral effects on the final step of an octahedron-shaped coordination capsule self-assembly
Authors: Matsumura Y. , Iuchi S. , Hiraoka S. , Sato H.
Published: January 2018

The final step of the self-assembly of an octahedron-shaped coordination capsule was investigated by a novel theoretical method.
Effect of GCAA stabilizing loops on three- and four-way intramolecular junctions
Authors: Carr Carolyn E. , Marky Luis A.
Published: January 2018

Addition of a GCAA tetraloop leads to an increase in water immobilization that is dependent on the position of the loop; counterion uptake is dependent on secondary structure.
Origin of the overpotentials for HCOO− and CO formation in the electroreduction of CO2 on Cu(211): the reductive desorption processes decide
Authors: Liu Ling , Liu Chungen
Published: January 2018

Potential-related free energy profiles of CO and HCOO− pathways in CO2RR on Cu(211) are computed with implicit solvent model.
Nonequilibrium self-assembly induced Liesegang rings in a non-isothermal system
Authors: Arango-Restrepo Andrés , Barragán Daniel , Rubi J. Miguel
Published: January 2018

A formalism based on nonequilibrium self-assembly processes is proposed to understand the structures formation composing the Liesegang rings in a non-isothermal system.
Highly efficient electrolysis of pure CO2 with symmetrical nanostructured perovskite electrodes
Authors: Li Yihang , Zhan Zhongliang , Xia Changrong
Published: January 2018

A novel symmetrical cell was prepared by facile tape-casting and infiltration methods.
Flammulina velutipes polysaccharides improve scopolamine-induced learning and memory impairment in mice by modulating gut microbiota composition
Authors: Su Anxiang , Yang Wenjian , Zhao Liyan , Pei Fei , Yuan Biao , Zhong Lei , Ma Gaoxing , Hu Qiuhui
Published: January 2018

Flammulina velutipes polysaccharides (FVP) and the FVP-induced microbiota have been proved to be effective in improving learning and memory impairment in mice.
Bioplastics from vegetable waste via an eco-friendly water-based process
Authors: Perotto Giovanni , Ceseracciu Luca , Simonutti Roberto , Paul Uttam C. , Guzman-Puyol Susana , Tran Thi-Nga , Bayer Ilker S. , Athanassiou Athanassia
Published: January 2018

A water-based process to convert vegetable waste into bioplastic films with appealing properties for packaging.
Complexation of An(vi) with succinic acid in aqueous acid solutions: uranyl vs. plutonyl
Authors: Sladkov V. , Bessonov A. A. , Roques J. , Charushnikova I. A. , Fedosseev A. M.
Published: January 2018

Due to stronger electrostatic interaction in a uranyl–succinate system, complex species of U(vi) with succinate are more stable than the ones of Pu(vi).
Polypyrrole with a functionalized multi-walled carbon nanotube hybrid nanocomposite: a new and efficient nitrite sensor
Authors: Arulraj Abraham Daniel , Sundaram Ellairaja , Vasantha Vairathevar Sivasamy , Neppolian Bernaurdshaw
Published: January 2018

This study mainly focuses on the electrochemical-assisted synthesis of conducting polymers such as polypyrrole (PPy) with sodium dodecyl sulfate (SDS) as a surfactant and supported with functionalized multi-walled carbon nanotubes (f-MWCNTs).
Polypyrrole nanocomposites doped with functional ionic liquids for high performance supercapacitors
Authors: Cao Peng , Fan Yuxia , Yu Junrui , Wang Rongmin , Song Pengfei , Xiong Yubing
Published: January 2018

Functional ionic liquids (ILs) were fabricated as the dopants of polypyrrole (PPy) and the capacitance performance of the as-obtained nanocomposites could be significantly enhanced.
A novel thermodynamic approach for the complexation study of toxic metal cations by a landfill leachate
Authors: Cataldo Salvatore , Lando Gabriele , Milea Demetrio , Orecchio Santino , Pettignano Alberto , Sammartano Silvio
Published: January 2018

The leachate humic fraction is a good sequestering agent towards toxic metal ions, influencing their aqueous solution behaviour and their environmental impact.
Comparative study of WCx-based catalysts for aqueous phase hydrogenolysis of glycerol into bioadditives
Authors: Wei Lingfei , Bibi Rehana , Tian Wei , Chen Lingyu , Zheng Yu , Li Naixu , Zhou Jiancheng
Published: January 2018

Metal-loaded WCx catalysts were synthesized and investigated in hydrogenolysis of glycerol.
Band alignments and heterostructures of monolayer transition metal trichalcogenides MX3 (M = Zr, Hf; X = S, Se) and dichalcogenides MX2 (M = Tc, Re; X=S, Se) for solar applications
Authors: Zhao Qiyi , Guo Yaohui , Zhou Yixuan , Yao Zehan , Ren Zhaoyu , Bai Jintao , Xu Xinlong
Published: January 2018

The band gaps and work functions of monolayer IVB-VIA 2D TMTs MX3 and VIIB-VIA 2D TMDs MX2 are calculated and their band alignments and the relevant physical origins of the band alignments are investigated.
Deoxygenation of sulphoxides to sulphides with trichlorophosphane
Authors: Zhao Xia , Zheng Xiancai , Yang Bo , Sheng Jianqiao , Lu Kui
Published: January 2018

An efficient route to deoxygenation of sulphoxides to sulphides with PCl3 under mild reaction condition was developed.
Ribosomal incorporation of backbone modified amino acids via an editing-deficient aminoacyl-tRNA synthetase
Authors: Iqbal Emil S. , Dods Kara K. , Hartman Matthew C. T.
Published: January 2018

A promiscuous aminoacyl-tRNA synthetase charges diverse amino acids onto tRNAs, and enables their incorporation into peptides using in vitro transation.
Oxalic/malonic acids as carbon building blocks for benzazole, quinazoline and quinazolinone synthesis
Authors: Sharma Saurabh , Bhattacherjee Dhananjay , Das Pralay
Published: January 2018

Oxalic/malonic acids as CH/C2H3carbon building blocks for the synthesis of 2-substituted and un-substituted benzazoles, quinazolines and quinazolinones.
Mechanical synthesis of chemically bonded phosphorus–graphene hybrid as high-temperature lubricating oil additive
Authors: Wu Xinhu , Gong Kuiliang , Zhao Gaiqing , Lou Wenjing , Wang Xiaobo , Liu Weimin
Published: January 2018

Red phosphorus (P) was covalently attached to graphene nanosheets (Gr) using high-energy ball-milling under a nitrogen atmosphere.
Layered zinc hydroxide monolayers by hydrolysis of organozincs
Authors: Leung Alice H. M. , Pike Sebastian D. , Clancy Adam J. , Yau Hin Chun , Lee Won Jun , Orchard Katherine L. , Shaffer Milo S. P. , Williams Charlotte K.
Published: January 2018

Organometallic precursors provide a new and clean route to solutions of 2D materials relevant for applications including catalysis, electronics and sensing.
Intra-mitochondrial biomineralization for inducing apoptosis of cancer cells
Authors: Kim Sangpil , Palanikumar L. , Choi Huyeon , Jeena M. T. , Kim Chaekyu , Ryu Ja-Hyoung
Published: January 2018

Mitochondria targeting mineralization can form biominerals inside cancerous mitochondria through concentration dependent silicification, resulting in dysfunction of mitochondria leading to apoptosis. These results suggest potential therapeutics for cancer treatment.
Facile fluorescent labeling of a polyacrylamide-based hydrogel filmviaradical initiation enables selective and reversible detection of Al3+
Authors: Lee Kyoung Min , Oh Yuree , Chang Ji Young , Kim Hyungwoo
Published: January 2018

An amine-containing probe plays dual roles in film fabricationviaredox-initiated radical polymerisation and in fluorescence response to Al3+.
Synthesis, structure and N–N bonding character of 1,1-disubstituted indazolium hexafluorophosphate
Authors: Ning Yingtang , Kawahata Masatoshi , Yamaguchi Kentaro , Otani Yuko , Ohwada Tomohiko
Published: January 2018

An efficient method for the synthesis of thermodynamically unstable 1,1-disubstituted indazolium by means of intramolecular electrophilic amination under mild conditions was reported.
Copper(ii)-catalyzed trifluoromethylation of iodoarenes using Chen's reagent
Authors: Zhao Shiyu , Guo Yong , Han En-Jian , Luo Jun , Liu Hui-Min , Liu Chao , Xie Weidong , Zhang Wei , Wang Mengying
Published: January 2018

The utility of Chen's reagent in trifluoromethylation revisited.
Correction: Geometric frustration and compatibility conditions for two-dimensional director fields
Authors: Niv Idan , Efrati Efi
Published: January 2018

Correction for ‘Geometric frustration and compatibility conditions for two-dimensional director fields’ by Idan Niv et al., Soft Matter, 2018, DOI: 10.1039/c7sm01672g.
Fast DOA estimation using co‐prime array
Authors: Yan Feng‐Gang , Liu Shuai , Wang Jun , Jin Ming , Shen Yi
Published: January 2018

A new method is proposed to estimate the direction‐of‐arrivals (DOAs) of multiple narrow‐band signals using a co‐prime array (CPA). The CPA is divided into two uniform linear arrays (ULAs) and two polynomials are derived by utilising the unitary transformation technique on the covariance matrices of these two ULAs. Rather than rooting the two polynomials straightforwardly, their first‐order derivatives are exploited to construct a new difference polynomial, and DOAs are uniquely estimated without ambiguity by finding the roots of this difference polynomial that lie closest to the unit circle. The new technique shows improved accuracy with reduced complexity as compared to most state‐of‐the‐art methods, which are verified by numerical simulations.
Angle‐dependent reflectivity of twill‐weave carbon fibre reinforced polymer for millimetre waves
Authors: Artner G. , Zöchmann E. , Pratschner S. , Lerch M. , Rupp M. , Mecklenbräuker C. F.
Published: January 2018

Twill‐weave carbon fibre reinforced polymer is measured as a reflector material for electromagnetic waves at 60 GHz. The reflectivity at millimetre wavelength shows a predominant direction, which coincides with the diagonal pattern of the twill's top layer. In the remaining directions, the investigated 2/2 twill‐weave composite's reflectivity is almost isotropic.
Optimised sliding mode control for MIMO uncertain non‐linear system with mismatched disturbances
Authors: Sunila M.S. , Sankaranarayanan V. , Sundereswaran K.
Published: January 2018

The optimised sliding mode control for a MIMO non‐linear system is designed using a proportional, integral and derivative (PID)‐based sliding manifold without limiting the bounds on system uncertainties/disturbances. The probabilistic particle swarm optimisation technique is used to optimise the PID coefficients of the sliding manifold and the sliding mode controller gain. The stability of the uncertain non‐linear system using this controller is verified by Lyapunov analysis. Simulation results are presented to validate the proposed controller.
Channel correlation‐based relay attack avoidance in vehicle keyless‐entry systems
Authors: Jeong Hyera , So Jaewoo
Published: January 2018

In passive keyless entry and start (PKES) systems, the car unlocks or starts the car when the key is in the proximity of the car. In conventional PKES systems, the car determines the physical proximity of the key on the basis of the received signal strength or the round‐trip time (RTT). However, the conventional schemes are vulnerable to relay attacks because the relay amplifies the signal and minimises the processing time. A solution to avoid the relay attacks in PKES systems is proposed, where the car verifies the proximity of the key on the basis of the correlation of the channel state information as well as the RTT.
Metal abundances in hot white dwarfs with signatures of a superionized wind
Authors: Werner K. , Rauch T. , Kruk J. W.
Published: January 2018

About a dozen hot white dwarfs with effective temperatures Teff = 65 000−120 000 K exhibit unusual absorption features in their optical spectra. These objects were tentatively identified as Rydberg lines of ultra-high excited metals in ionization stages v–x, indicating line formation in a dense environment with temperatures near 106 K. Since some features show blueward extensions, it was argued that they stem from a superionized wind. A unique assignment of the lines to particular elements is not possible, although they probably stem from C, N, O, and Ne. To further investigate this phenomenon, we analyzed the ultraviolet spectra available from only three stars of this group; that is, two helium-rich white dwarfs, HE 0504–2408 and HS 0713+3958 with spectral type DO, and a hydrogen-rich white dwarf, HS 2115+1148 with spectral type DAO. We identified light metals (C, N, O, Si, P, and S) with generally subsolar abundances and heavy elements from the iron group (Cr, Mn, Fe, Co, Ni) with solar or oversolar abundance. The abundance patterns are not unusual for hot WDs and can be interpreted as the result of gravitational settling and radiative levitation of elements. As to the origin of the ultra-high ionized metals lines, we discuss the possible presence of a multicomponent radiatively driven wind that is frictionally heated.
Jupiter’s evolution with primordial composition gradients
Authors: Vazan Allona , Helled Ravit , Guillot Tristan
Published: January 2018

Recent formation and structure models of Jupiter suggest that the planet can have composition gradients and not be fully convective (adiabatic). This possibility directly affects our understanding of Jupiter’s bulk composition and origin. In this Letter we present Jupiter’s evolution with a primordial structure consisting of a relatively steep heavy-element gradient of 40 M⊕. We show that for a primordial structure with composition gradients, most of the mixing occurs in the outer part of the gradient during the early evolution (several 107 yr), leading to an adiabatic outer envelope (60% of Jupiter’s mass). We find that the composition gradient in the deep interior persists, suggesting that ~40% of Jupiter’s mass can be non-adiabatic with a higher temperature than the one derived from Jupiter’s atmospheric properties. The region that can potentially develop layered convection in Jupiter today is estimated to be limited to ~10% of the mass.
The size, morphology, site, and access score predicts critical outcomes of endoscopic mucosal resection in the colon
Authors: Sidhu Mayenaaz , Tate David , Desomer Lobke , Brown Gregor , Hourigan Luke , Lee Eric , Moss Alan , Raftopoulos Spiro , Singh Rajvinder , Williams Stephen , Zanati Simon , Burgess Nicholas , Bourke Michael
Published: January 2018

Background The SMSA (size, morphology, site, access) polyp scoring system is a method of stratifying the difficulty of polypectomy through assessment of four domains. The aim of this study was to evaluate the ability of SMSA to predict critical outcomes of endoscopic mucosal resection (EMR).

Methods We retrospectively applied SMSA to a prospectively collected multicenter database of large colonic laterally spreading lesions (LSLs) ≥ 20 mm referred for EMR. Standard inject-and-resect EMR procedures were performed. The primary end points were correlation of SMSA level with technical success, adverse events, and endoscopic recurrence.

Results 2675 lesions in 2675 patients (52.6 % male) underwent EMR. Failed single-session EMR occurred in 124 LSLs (4.6 %) and was predicted by the SMSA score (P < 0.001). Intraprocedural and clinically significant postendoscopic
bleeding was significantly less common for SMSA 2 LSLs (odds ratio [OR] 0.36, P < 0.001 and OR 0.23, P < 0.01) and SMSA 3 LSLs (OR 0.41, P  < 0.001 and OR 0.60, P = 0.05) compared with SMSA 4 lesions. Similarly, endoscopic recurrence at first surveillance was less likely among SMSA 2 (OR 0.19, P < 0.001) and SMSA 3 (OR 0.33, P < 0.001) lesions compared with SMSA 4 lesions. This also extended to second surveillance among SMSA 4 LSLs.

Conclusion SMSA is a simple, readily applicable, clinical score that identifies a subgroup of patients who are at increased risk of failed EMR, adverse events, and adenoma recurrence at surveillance colonoscopy. This information may be useful for improving informed consent, planning endoscopy lists, and developing quality control measures for practitioners of EMR, with potential implications for EMR benchmarking and training.