bluuebunny/crossref_metadata_2025 huggingface dataset:
Supramolecular synthons in fluorinated benzyl nitrophenyl sulfides
Authors: Capozzi Maria Annunziata M. , Alvarez-Larena Angel , Piniella Joan Francesc , Cardellicchio Cosimo
Published: March 2019

An entangled gauche-conformation in 4-nitrophenyl pentafluorobenzyl sulfide and its “fingerprint analysis”.
Molecular engineering of anchoring groups for designing efficient triazatruxene-based organic dye-sensitized solar cells
Authors: Ghosh Narendra Nath , Habib Md. , Pramanik Anup , Sarkar Pranab , Pal Sougata
Published: March 2019

Triazatruxene with designed anchoring groups provides better photovoltaic activities.
Thio-click reaction of 2-deoxy-exo-glycals towards new glycomimetics: stereoselective synthesis of C-2-deoxy-d-glycopyranosyl compounds
Authors: József János , Juhász László , Somsák László
Published: March 2019

Photoinitiated addition of thiols to 2-deoxy-exo-glycals obtained from endo-glycals of d-arabino, d-lyxo, d-erythro and d-threo configurations resulted in highly regio- and stereoselective formation of glycosylmethyl sulfide type glycomimetics.
Preparation of nitrogen-doped carbon quantum dots and its application as a fluorescent probe for Cr(vi) ion detection
Authors: Luo Xiaomin , Bai Pengxia , Wang Xuechuan , Zhao Guohui , Feng Jianyan , Ren Huijun
Published: March 2019

A facile synthetic method was used to prepare N-CQDs via the hydrothermal treatment of gelatin.
Mesoporous TiO2/SiO2/Ag ternary composite aerogels for high photocatalysis
Authors: Zhao Xinfu , Ju Wei , Zhang Jian , Liu Benxue , Zhang Jing , Yi Xibin
Published: March 2019

The TiO2/SiO2/Ag aerogel exhibits high photocatalytic activity due to the presence of Ag nanoparticles, which can decrease the recombination of electrons and holes.
Synthesis and nonlinear optical properties of semiconducting single-walled carbon nanotubes at 1 μm
Authors: Shi Jichao , Chu Hongwei , Li Ying , Zhang Xiaodong , Pan Han , Li Dechun
Published: March 2019

Herein, we synthesized and extracted pure semiconducting single-walled carbon nanotubes (s-SWCNTs).
Ultrathin MoS2 nanosheets for high-performance photoelectrochemical applications via plasmonic coupling with Au nanocrystals
Authors: Ali Asad , Mangrio Farhana Akbar , Chen Xiaolin , Dai Yiwen , Chen Kui , Xu Xiaoliang , Xia Ruixiang , Zhu Lixin
Published: March 2019

In this work, we prepared ultrathin MoS2 nanosheets with exposed active edge sites and high electric conductivity that can sufficiently absorb light in the visible region to enable solar energy conversion.
Optimization of makerspace microfabrication techniques and materials for the realization of planar, 3D printed microelectrode arrays in under four days
Authors: Kundu Avra , Nattoo Crystal , Fremgen Sarah , Springer Sandra , Ausaf Tariq , Rajaraman Swaminathan
Published: March 2019

“Makerspace microfabrication” with the use of simple tools and materials is used to demonstrate the realization of 2D microelectrode arrays (MEAs) having a density of up to 8 × 8 MEAs in under four days which are comparable to conventional MEAs.
Patterning order and disorder with an angle: modeling single-layer dual-phase nematic elastomer ribbons
Authors: Gimenez-Pinto Vianney , Ye Fangfu
Published: March 2019

We study the rich actuation variety displayed by elastomers that combine well-defined isotropic regions and liquid crystalline regions. Design factors for actuation include orientation of director and pattern, domain-size and sample-size.
A review on graphene-based nanocomposites for electrochemical and fluorescent biosensors
Authors: Krishnan Siva Kumar , Singh Eric , Singh Pragya , Meyyappan Meyya , Nalwa Hari Singh
Published: March 2019

Biosensors with high sensitivity, selectivity and a low limit of detection, reaching nano/picomolar concentrations of biomolecules, are important to the medical sciences and healthcare industry for evaluating physiological and metabolic parameters.
Integrated optical and electrochemical detection of Cu2+ ions in water using a sandwich amino acid–gold nanoparticle-based nano-biosensor consisting of a transparent-conductive platform
Authors: Atapour Mehdi , Amoabediny Ghasem , Ahmadzadeh-Raji Mojgan
Published: March 2019

The transparent-conductive platforms of ITO/GNPs/l-cys⋯Cu2+⋯l-cys/GNPs were fabricated for quantitation of Cu2+ ions in water samples using combined LSPR and SWV methods.
A UPLC-MS-based metabolomics approach to reveal the attenuation mechanism of Caowu compatibility with Yunnan Baiyao
Authors: Ren Jun-ling , Sun Hui , Dong Hui , Yang Le , Zhang Ai-hua , Han Ying , Wang Li , Liu Liang , Wang Xi-jun
Published: March 2019

Yunnan Baiyao (YNBY) is a well-known traditional Chinese medicine containing Caowu (Aconiti kusnezoffiiradix, CW).
Sn-encapsulated N-doped porous carbon fibers for enhancing lithium-ion battery performance
Authors: Xu Zhilong , Fan Lei , Ni Xiangying , Han Jie , Guo Rong
Published: March 2019

Sn-encapsulated N-doped porous carbon fibers showed enhanced lithium-ion battery performance due to the Sn loading and porous structure.
A ratiometric fluorescent probe for detection of exogenous mitochondrial SO2 based on a FRET mechanism
Authors: Xu Zhiyang , Chen Zhen , Liu Aikun , Ji Ruixue , Cao Xiaoqun , Ge Yanqing
Published: March 2019

A novel imidazo[1,5-a]pyridine-hemicyanine based ratiometric fluorescent probe for detection of mitochondrial SO2 was designed and synthesized.
Ultra-high performance of Li/Na ion batteries using N/O dual dopant porous hollow carbon nanocapsules as an anode
Authors: Wang Linlin , Lu Bo , Wang Saisai , Cheng Wei , Zhao Yufeng , Zhang Jiujun , Sun Xueliang
Published: March 2019

N/O dual dopant porous carbon nanocapsules simultaneously attain ultrafast lithium and sodium storage with both a high capacity and an ultralong cycling stability.
Improving device performance of n-type organic field-effect transistorsviadoping with a p-type organic semiconductor
Authors: Lan Shuqiong , Yan Yujie , Yang Huihuang , Zhang Guocheng , Ye Yun , Li Fushan , Chen Huipeng , Guo Tailiang
Published: March 2019

The performance of solution-processed n-type OFETs was improvedviaa facile effective route, by blending a p-type organic semiconductor into the n-type polymer semiconductor.
A Flexible e-skin based on micro-structured PZT thin films prepared via a low-temperature PLD method
Authors: Zhang Shaohui , Zhang Long , Wang Lujia , Wang Fengxia , Pan Gebo
Published: March 2019

A flexible PZT-based e-skin that could withstand fatigue over extended periods of use (more than 10 000 cycles).
The spin-coating-based immobilization of ZnTPP-dyed cation exchange resin microbeads for reversible ammonia detection
Authors: Zhou Hao , Yang Zheng , Cen Kefa
Published: March 2019

The spin-coating-based immobilization applied by a microfluidic chip exhibited efficient and stable performance in reversible ammonia detection.
Layer-by-layer assembly of a polymer of intrinsic microporosity: targeting the CO2/N2 separation problem
Authors: Pramanik Nabendu B. , Regen Steven L.
Published: March 2019

A polymer of intrinsic microporosity has been successfully incorporated into 6 nm thick polyelectrolyte multilayers and found to exhibit exceptional permeability properties with respect to CO2 and N2.
Unravelling the key role of surface features behind facet-dependent photocatalysis of anatase TiO2
Authors: Peng Yung-Kang , Keeling Benedict , Li Yiyang , Zheng Jianwei , Chen Tianyi , Chou Hung-Lung , Puchtler Tim J. , Taylor Robert A. , Tsang Shik Chi Edman
Published: March 2019

The high activity of the anatase TiO2(001) facet in photocatalytic H2 evolution is due to local electronic effects created by surface F on the facet.
Study of electronic structure in the L-edge spectroscopy of actinide materials: UO2 as an example
Authors: Ramanantoanina Harry , Kuri Goutam , Martin Matthias , Bertsch Johannes
Published: March 2019

Combined L3-edge X-ray absorption spectroscopy and first-principles modelling reveal electronic and atomic structure in uranium dioxide spent fuel.
Weak-field coherent control of photodissociation in polyatomic molecules
Authors: Serrano-Jiménez A. , Bañares L. , García-Vela A.
Published: March 2019

A coherent control scheme to modify the outcome of the photodissociation of a polyatomic molecule CH3I is proposed.
Co-Incorporated NiV2O6/Ni(HCO3)2 nanoflake arrays grown on nickel foam as a high-performance supercapacitor electrode
Authors: Zhao Shaolei , Tao Keyu , Gong Yun
Published: March 2019

Co-Incorporated NiV2O6/Ni(HCO3)2 nanoflake arrays grown on nickel foam demonstrate a high areal capacity with excellent rate capability and long-term durability.
Functionalized chitosan adsorbents allow recovery of palladium and platinum from acidic aqueous solutions
Authors: Mincke Stein , Asere Tsegaye Grima , Verheye Ivar , Folens Karel , Vanden Bussche Flore , Lapeire Linsey , Verbeken Kim , Van Der Voort Pascal , Tessema Dejene A. , Fufa Fekadu , Du Laing Gijs , Stevens Christian V.
Published: March 2019

Chitosan biosorbents for the recovery of palladium and platinum from aqueous waste streams.
A high-speed, high-performance, microfabricated comprehensive two-dimensional gas chromatograph
Authors: Whiting Joshua J. , Myers Edward , Manginell Ronald P. , Moorman Mathew W. , Anderson John , Fix Cory S. , Washburn Cody , Staton Al , Porter Daniel , Graf Darin , Wheeler David R. , Howell Stephen , Richards John , Monteith Haley , Achyuthan Komandoor E. , Roukes Michael , Simonson Robert J.
Published: March 2019

A microfabricated ultrafast GC×GC system, coupled with highly sensitive, low-power NEMS resonators, with handheld form factor for civilian, military, and space applications.
New methods to assess 6-thiopurine toxicity and expanding its therapeutic application to pancreatic cancer via small molecule potentiators
Authors: Weeramange Chamitha , Lansakara Ashabha , Dallman Johnathan , Nguyen Thi , Hulangamuwa Wasundara , Rafferty Ryan J.
Published: March 2019

6-Thiopurine (6TP) is a potent cytotoxic agent that is a clinically prescribed anti-metabolite employed in the treatment of numerous blood cancers since 1952.
Copper(ii) complexes based on tripodal pyridyl amine derivatives as efficient anticancer agents
Authors: Massoud Salah S. , Louka Febee R. , Tusa Ada F. , Bordelon Nicole E. , Fischer Roland C. , Mautner Franz A. , Vančo Ján , Hošek Jan , Dvořák Zdeněk , Trávníček Zdeněk
Published: March 2019

The in vitro cytotoxicity of a series of chlorido-Cu(ii) complexes based on tripod pyridyl N4-donor derivatives revealed significant-to-moderate cytotoxicity against human cancer cell lines with the best results obtained for [Cu(BQPA)Cl]ClO4/PF6 (5-ClO4/PF6) with IC50 values of 4.7–10.8 μM.
A carbon quantum dot–gold nanoparticle system as a probe for the inhibition and reactivation of acetylcholinesterase: detection of pesticides
Authors: Korram Jyoti , Dewangan Lakshita , Nagwanshi Rekha , Karbhal Indrapal , Ghosh Kallol K. , Satnami Manmohan L.
Published: March 2019

In this work, fluorescence (FL) quenching (turn-off) and recovery (turn-on) of carbon quantum dots (CQDs) in the presence of dispersed and aggregated gold nanoparticles (AuNPs) was used as a probe for monitoring the inhibition and reactivation of acetylcholinesterase (AChE).
Model study on trapping of protein selenenic acids by utilizing a stable synthetic congener
Authors: Sase Shohei , Kimura Ryutaro , Masuda Ryosuke , Goto Kei
Published: March 2019

Model studies on the trapping reaction of protein selenenic acids were carried out with a stable primary-alkyl model compound.
Cubic versus hexagonal – effect of host crystallinity on the T1 shortening behaviour of NaGdF4 nanoparticles
Authors: Liu Nan , Marin Riccardo , Mazouzi Yacine , Cron Greg O. , Shuhendler Adam , Hemmer Eva
Published: March 2019

Assessing the T1 shortening behaviour of NaGdF4 nanoparticles demonstrated better performance of cubic NaGdF4 when compared to the hexagonal counterpart.
3D printed self-adhesive PEGDA–PAA hydrogels as modular components for soft actuators and microfluidics
Authors: Valentin Thomas M. , DuBois Eric M. , Machnicki Catherine E. , Bhaskar Dhananjay , Cui Francis R. , Wong Ian Y.
Published: March 2019

Hydrogel building blocks that are stimuli-responsive and self-adhesive could be utilized as a simple “do-it-yourself” construction set for soft machines and microfluidic devices.
Evolution of white organic light-emitting devices: from academic research to lighting and display applications
Authors: Yin Yongming , Ali Muhammad Umair , Xie Wenfa , Yang Huai , Meng Hong
Published: March 2019

Recently, Apple Inc. launched the highly anticipated cellphone, the iPhone X, which adopts an active-matrix organic light-emitting display (AMOLED) for the first time.
Expanded graphite/NiAl layered double hydroxide nanowires for ultra-sensitive, ultra-low detection limits and selective NOx gas detection at room temperature
Authors: Zhang Xueying , Ikram Muhammad , Liu Zhi , Teng Lei , Xue Jialing , Wang Di , Li Li , Shi Keying
Published: March 2019

Expanded graphite/NiAl-LDH nanowires for ultra-sensitive, ultra-low detection limits and selective NOx gas detection at room temperature.
Synthesis of C4-alkynylisoxazoles via a Pd-catalyzed Sonogashira cross-coupling reaction
Authors: Yang Wen , Yao Yongqi , Yang Xin , Deng Yingying , Lin Qifu , Yang Dingqiao
Published: March 2019

A Pd-catalyzed Sonogashira cross-coupling reaction for the synthesis of C4-alkynylisoxazoles from 3,5-disubsitituted-4-iodoisoxazoles and terminal alkynes was described, which could afford the corresponding products with high yield (up to 98%).
Luminescent bis(benzo[d]thiazolyl)quinoxaline: facile synthesis, nucleic acid and protein BSA interaction, live-cell imaging, biopharmaceutical research and cancer theranostic application
Authors: Babu Lavanya Thilak , Jadhav Gajanan Raosaheb , Paira Priyankar
Published: March 2019

A series of luminescent bis(benzo[d]thiazolyl)quinoxalines have been synthesized and their fluorescence properties, anticancer potency, DNA and BSA interactions, cellular uptake, and metabolic stabilities are investigated.
The mechanism of adhesion and graft polymerization of a PNIPAAm thermoresponsive hydrogel to polypropylene meshes
Authors: Lanzalaco Sonia , Turon Pau , Weis Christine , Alemán Carlos , Armelin Elaine
Published: March 2019

In this study, a commercial and fully flexible monofilament mesh has been used for the deposition of a thermosensitive hydrogel, generated by graft copolymerization of N-isopropylacrylamide (NIPAAm) and N,N′-methylene bis(acrylamide) (MBA) monomers.
Tuning copper sulfide nanosheets by cation exchange reactions to realize two-dimensional CZTS dielectric layers
Authors: Khan Ali Hossain , Pal Somnath , Dalui Amit , Pradhan Bapi , Sarma D. D. , Acharya Somobrata
Published: March 2019

Colloidal synthesis of ultrathin phase-pure CZTS nanosheets has been demonstrated, which exhibit a nearly temperature and frequency independent dielectric constant (>6.1) with a low dielectric loss over broad temperature and frequency ranges.
Simultaneously tuning cationic and anionic redox in a P2-Na0.67Mn0.75Ni0.25O2 cathode material through synergic Cu/Mg co-doping
Authors: Kong Weijin , Gao Rui , Li Qingyuan , Yang Wenyun , Yang Jinbo , Sun Limei , Liu Xiangfeng
Published: March 2019

Anionic redox chemistry has attracted increasing attention in research on P2-type layered oxide cathodes for sodium-ion batteries.
Synthesis of highly effective stabilized CaO sorbents via a sacrificial N-doped carbon nanosheet template
Authors: Wang Ke , Clough Peter T. , Zhao Pengfei , Anthony Edward J.
Published: March 2019

Highly macroporous MgO-stabilized CaO nanosheets with rapid reaction rates, high capacity, and good stability for high-temperature CO2 capture.
Ultrathin FeOOH nanosheets as an efficient cocatalyst for photocatalytic water oxidation
Authors: Ge Ge , Liu Min , Liu Chao , Zhou Wei , Wang Defa , Liu Lequan , Ye Jinhua
Published: March 2019

FeOOH nanosheets with abundantVoeffectively promote water oxidation with a 90% apparent activation energy decrease.
Hierarchically porous metal-free carbon with record high mass activity for oxygen reduction and Zn-air batteries
Authors: Cheng Yuanhui , Wang Yalan , Wang Qiuli , Liao Zhijian , Zhang Ningyuan , Guo Yinjian , Xiang Zhonghua
Published: March 2019

A cheap polymer with a robust structure was used to produce metal-free carbon materials with record high mass activity.
A broadban-tunable photonic bandgap and thermally convertible laser with an ultra-low lasing threshold from a refilled chiral polymer template
Authors: Lin Jia-De , Lin Hsin-Yu , Wei Guan-Jhong , Chuang Yu-Chou , Chen Lin-Jer , Mo Ting-Shan , Lee Chia-Rong
Published: March 2019

This study reports broadband-tunable photonic bandgap and thermally-convertible lasers with ultra-low lasing thresholds based on refilled chiral polymer templates.
Ultrahigh photosensitive organic phototransistors by photoelectric dual control
Authors: Han Tao , Shou Meihua , Liu Linlin , Xie Zengqi , Ying Lei , Jiang Chunzhi , Wang Huanyou , Yao Min , Deng Haiming , Jin Gui , Chen Junwu , Ma Yuguang
Published: March 2019

We report a novel OPT working mode by photoelectric dual control. After each light switch, the dark current is erased by the gate voltage in depletion mode which remains unchanged during light off; the photocurrent increases by the device converting to accumulation mode when the light is on.
Glycolytic flux in Saccharomyces cerevisiae is dependent on RNA polymerase III and its negative regulator Maf1
Authors: Szatkowska Roza , Garcia-Albornoz Manuel , Roszkowska Katarzyna , Holman Stephen W. , Furmanek Emil , Hubbard Simon J. , Beynon Robert J. , Adamczyk Malgorzata
Published: March 2019

Protein biosynthesis is energetically costly, is tightly regulated and is coupled to stress conditions including glucose deprivation. RNA polymerase III (RNAP III)-driven transcription of tDNA genes for production of tRNAs is a key element in efficient protein biosynthesis. Here we present an analysis of the effects of altered RNAP III activity on the Saccharomyces cerevisiae proteome and metabolism under glucose-rich conditions. We show for the first time that RNAP III is tightly coupled to the glycolytic system at the molecular systems level. Decreased RNAP III activity or the absence of the RNAP III negative regulator, Maf1 elicit broad changes in the abundance profiles of enzymes engaged in fundamental metabolism in S. cerevisiae. In a mutant compromised in RNAP III activity, there is a repartitioning towards amino acids synthesis de novo at the expense of glycolytic throughput. Conversely, cells lacking Maf1 protein have greater potential for glycolytic flux.
Serum from Jiao-Tai-Wan treated rats increases glucose consumption by 3T3-L1 adipocytes through AMPK pathway signaling
Authors: Yuan Lin , Tang Peng , Li Hui-Jiao , Hu Na , Zhong Xiao-Yu , Lin Min , Sun Yin-Qiang , Lu Min , Lu Xiong
Published: March 2019

Type 2 diabetes (T2DM) is characterized by hyperglycemia resulting from insulin resistance. Jiao-Tai-Wan (JTW), a traditional Chinese medicine consisting of a 10:1 formulation of Rhizoma Coptidis (RC) and Cortex Cinnamomi (cinnamon) was shown to have hypoglycemic efficacy in a type 2 diabetic mouse model. Here we investigated whether glucose consumption by insulin-resistant adipocytes could be modulated by serum from JTW-treated rats, and if so, through what mechanism. JTW-medicated serum was prepared from rats following oral administration of JTW decoction twice a day for 4 days. Fully differentiated 3T3-L1 adipocytes – rendered insulin resistance by dexamethasone treatment – were cultured in medium containing JTW-medicated rat serum. JTW-medicated serum treatment increased glucose uptake, up-regulated levels of phosphorylated adenosine 5′-monophoshate-activated protein kinase (p-AMPK), and stimulated expression and translocation of glucose transporter 4 (GLUT4). JTW-medicated serum induced significantly greater up-regulation of p-AMPK and GLUT4 than either RC or cinnamon-medicated serum. JTW-medicated serum induced effects on 3T3-L1 adipocytes could be partially inhibited by treatment with the AMPK inhibitor compound C. In conclusion, JTW-medicated serum increased glucose consumption by IR adipocytes partially through the activation of the AMPK pathway, and JTW was more effective on glucose consumption than either RC or cinnamon alone.
Deciphering the role of trehalose in hindering antithrombin polymerization
Authors: Naseem Asma , Khan Mohammad Sazzad , Ali Hashim , Ahmad Irshad , Jairajpuri Mohamad Aman
Published: March 2019

Serine protease inhibitors (serpins) family have a complex mechanism of inhibition that requires a large scale conformational change. Antithrombin (AT), a member of serpin superfamily serves as a key regulator of the blood coagulation cascade, deficiency of which leads to thrombosis. In recent years, a handful of studies have identified small compounds that retard serpin polymerization but abrogated the normal activity. Here, we screened small molecules to find potential leads that can reduce AT polymer formation. We identified simple sugar molecules that successfully blocked polymer formation without a significant loss of normal activity of AT under specific buffer and temperature conditions. Of these, trehalose proved to be most promising as it showed a marked decrease in the bead like polymeric structures of AT shown by electron microscopic analysis. A circular dichroism (CD) analysis indicated alteration in the secondary structure profile and an increased thermal stability of AT in the presence of trehalose. Guanidine hydrochloride (GdnHCl)-based unfolding studies of AT show the formation of a different intermediate in the presence of trehalose. A time-dependent fluorescence study using 1,1′-bi(4-anilino)naphthalene-5,5′-disulfonic acid (Bis-ANS) shows that trehalose affects the initial conformational change step in transition from native to polymer state through its binding to exposed hydrophobic residues on AT thus making AT less polymerogenic. In conclusion, trehalose holds promise by acting as an initial scaffold that can be modified to design similar compounds with polymer retarding propensity.
MIR100HG: a credible prognostic biomarker and an oncogenic lncRNA in gastric cancer
Authors: Li Jun , Xu Qingfeng , Wang Wen , Sun Shaojun
Published: March 2019

The MIR100HG expression was observed to be up-regulated or down-regulated in human cancer tissues depending on tumor types. However, there was no report about the role of MIR100HG in gastric cancer. In our study, we first found levels of MIR100HG expression were increased in gastric cancer cell lines and tissue samples compared with normal gastric epithelial cell line and adjacent normal gastric mucosa tissue samples, respectively. Moreover, high MIR100HG expression was positively associated with clinical stage, tumor invasion, lymph node metastasis, and distant metastasis in gastric cancer patients. Survival analysis showed MIR100HG expression was negative correlated with clinical outcome in gastric cancer patients from The Cancer Genome Atlas (TCGA) database or our study, and high MIR100HG expression served as an independent poor prognostic factor for gastric cancer patient’s overall survival. The study in vitro suggested down-regulation of MIR100HG expression inhibits cell proliferation, migration, and invasion in gastric cancer. In conclusion, MIR100HG is a credible prognostic biomarker and functions as an oncogenic lncRNA in gastric cancer.
Pharmacologic normalization of pathogenic dosage underlying genetic diseases: an overview of the literature and path forward
Authors: Poirier Mathieu B. , Hadwen Jeremiah , MacKenzie Alex
Published: March 2019

Most monogenic disorders are caused by a pathologic deficit or excess of a single transcript and/or protein. Given that small molecules, including drugs, can affect levels of mRNA and protein, the pharmacologic normalization of such pathogenic dosage represents a possible therapeutic approach for such conditions. Here, we review the literature exploring pharmacologic modulation of mRNA and/or protein levels for disorders with paralogous modifier genes, for haploinsufficient disorders (insufficient gene-product), as well as toxic gain-of-function disorders (surplus or pathologic gene-product). We also discuss challenges facing the development of rare disease therapy by pharmacologic modulation of mRNA and protein. Finally, we lay out guiding principles for selection of disorders which may be amenable to this approach.
Model-independent cosmic acceleration and redshift-dependent intrinsic luminosity in type-Ia supernovae
Authors: Tutusaus I. , Lamine B. , Blanchard A.
Published: March 2019

Context. The cosmological concordance model (ΛCDM) is the current standard model in cosmology thanks to its ability to reproduce the observations. The first observational evidence for this model appeared roughly 20 years ago from the type-Ia supernovae (SNIa) Hubble diagram from two different groups. However, there has been some debate in the literature concerning the statistical treatment of SNIa, and their stature as proof of cosmic acceleration.

Aims. In this paper we relax the standard assumption that SNIa intrinsic luminosity is independent of redshift, and examine whether it may have an impact on our cosmological knowledge and more precisely on the accelerated nature of the expansion of the universe.

Methods. To maximise the scope of this study, we do not specify a given cosmological model, but we reconstruct the expansion rate of the universe through a cubic spline interpolation fitting the observations of the different cosmological probes: SNIa, baryon acoustic oscillations (BAO), and the high-redshift information from the cosmic microwave background (CMB).

Results. We show that when SNIa intrinsic luminosity is not allowed to vary as a function of redshift, cosmic acceleration is definitely proven in a model-independent approach. However, allowing for redshift dependence, a nonaccelerated reconstruction of the expansion rate is able to fit, at the same level of ΛCDM, the combination of SNIa and BAO data, both treating the BAO standard ruler rd as a free parameter (not entering on the physics governing the BAO), and adding the recently published prior from CMB observations. We further extend the analysis by including the CMB data. In this case we also consider a third way to combine the different probes by explicitly computing rd from the physics of the early universe, and we show that a nonaccelerated reconstruction is able to nicely fit this combination of low- and high-redshift data. We also check that this reconstruction is compatible with the latest measurements of the growth rate of matter perturbations. We finally show that the value of the Hubble constant (H0) predicted by this reconstruction is in tension with model-independent measurements.

Conclusions. We present a model-independent reconstruction of a nonaccelerated expansion rate of the universe that is able to fit all the main background cosmological probes nicely. However, the predicted value of H0 is in tension with recent direct measurements. Our analysis points out that a final reliable and consensual value for H0 is critical to definitively prove cosmic acceleration in a model-independent way.
Structure and evolution of the photospheric magnetic field in 2010–2017: comparison of SOLIS/VSM vector field and BLOS potential field
Authors: Virtanen Ilpo I. , Pevtsov Alexei A. , Mursula Kalevi
Published: March 2019

Context. The line-of-sight (LOS) component of the large-scale photospheric magnetic field has been observed since the 1950s, but the daily full-disk observations of the full vector magnetic field started only in 2010 using the SOLIS Vector Stokes Magnetograph (VSM) and the SDO helioseismic and magnetic imager (HMI). Traditionally, potential field extrapolations are based on the assumption that the magnetic field in the photosphere is approximately radial. The validity of this assumption has not been tested yet.

Aims. We investigate here the structure and evolution of the three components of the solar large-scale magnetic field in 2010–2017, covering the ascending to mid-declining phase of solar cycle 24, using SOLIS/VSM vector synoptic maps of the photospheric magnetic field.

Methods. We compare the observed VSM vector magnetic field to the potential vector field derived using the VSM LOS magnetic field observations as an input. The new vector field data allow us to derive the meridional inclination and the azimuth angle of the magnetic field and to investigate their solar cycle evolution and latitudinal profile of these quantities.

Results. SOLIS/VSM vector data show that the photospheric magnetic field is in general fairly non-radial. In the meridional plane the field is inclined toward the equator, reflecting the dipolar structure of the solar magnetic field. Rotationally averaged meridional inclination does not have significant solar cycle variation. While the vector radial component Br and the potential radial component BPFSSr are fairly similar, the meridional and zonal components do not agree very well. We find that SOLIS/VSM vector observations are noisy at high latitudes and suffer from the vantage point effect more than LOS observations. This is due to different noise properties in the LOS and transverse components of the magnetic field, which needs to be addressed in future studies.
Electron capture in slow collisions of O6+ions with atomic hydrogen
Authors: Lin Xiaohe , Wu Yong , Wang J. G. , Shao Bin , Janev R. K.
Published: March 2019

Aims. Electron capture in collisions of highly charged O6+ions with ground-state hydrogen atoms is a very important process in solar wind X-ray studies.

Methods. In the present study, the full quantum-mechanical molecular-orbital close-coupling method is employed to study electron capture reactions in collisions of O6+ion with ground-state atomic hydrogen in the energy region from 10−4keV u−1to 5 keV u−1. The ab initio multi-reference single- and double-excitation configuration interaction (MRD-CI) method is used to calculate the potential and coupling data used in the QMOCC calculations.

Results. Total and state-selective cross sections for the dominant and subdominant reaction channels are calculated and compared with the available experimental and theoretical data. The branching ratios for Lithium-like O5+excited ions are used to calculate the contribution of cascade radiative transitions fromn = 5 levels to the population of 4l states. From the calculated cross sections, reaction rate coefficients are obtained for temperatures between 1000 and 1 × 109K and compared with other calculations.
Mugilids fisheries of Tunisian coasts and lagoons
Authors: Romdhane Mohamed Salah , Fassatoui Chiheb , Shaiek Moez , Ben Rejeb Jenhani Amel , Changeux Thomas
Published: March 2019

With its 1300 km coastline and 110 000 ha of coastal lagoons, Tunisia offers important resources to demersal and pelagic fisheries. Among all the exploited fish species in Tunisia, mugilids are the most widespread. They are known in temperate, subtropical and tropical regions, and occur both in coastal areas, lagoon ecosystems and inland waters. Six mugilids species have been inventoried in Tunisia. Their migratory behavior consists of moving back and forth between brackish and saline environment where they spend a large part of their life cycles. This behavior results in a peculiar high vulnerability to human pressure. Consequently, they require special attention from fisheries managers for sustainable catches. This study was based on the data from the national fishing and aquaculture directorate (DGPA) statistics, and comprised time series from 1995 to 2015. We looked for clear tendencies and correlations between harvest from the coastal sea and lagoons of the different coastal regions, in relation to recruitment in coastal marine waters. We focused on two species, i.e. Mugil cephalus and Liza aurata, which are best appreciated for local consumption and, therefore, most targeted by the fishery in Tunisia. The Tunisian lagoons show a decreasing trend in mugilids landings. This may be explained by the disturbance of migratory ways and the degradation of the coastal habitats, by the harvest of fry used for the inland water-stocking program, and by the multiplication of droughts. Particularly the latter strongly limits the migration of juveniles. The harvest in the coastal zones is relatively stable, follows perfectly the total national landings, with although a clear increase since 2011 as a result of uncontrolled illegal fishing. The negative correlation between the total harvests of mugilids in the coastal sea and coastal lagoon was highly significant (Pearson coefficient r = −0.702, p < 0.001).
Pluralité des instruments et des logiques politiques pour l’adaptation aux changements globaux en zone côtière
Authors: Dhénain Sandrine , Barreteau Olivier
Published: March 2019

L’adaptation au changement climatique est un nouvel enjeu pour la gestion des territoires. Au niveau local, elle apparaît souvent comme une injonction, alors même que, pour l’instant, elle est un concept flou. Elle est présentée comme l’application de bonnes pratiques, mais les questions « qui s’adapte à quoi ? » et « pourquoi ? » demeurent implicites. En explicitant ces éléments, nous proposons de montrer que l’adaptation est une question plurielle et politique. À partir de l’analyse des documents de planification et des plans d’action faisant référence aux changements globaux sur un territoire littoral, nous montrons l’existence de quatre logiques d’adaptation distinctes, plus ou moins transformatrices du système socioécologique, que l’on peut appréhender à partir de la typologie suivante : « contrôler et maintenir », « faire faire », « réguler » et « reconfigurer », qui portent en germe différentes reconfigurations socioéconomiques et politiques.
Do Anthropometric and Aerobic Parameters Predict a Professional Career for Adolescent Skiers?
Authors: Windhaber Jana , Steinbauer Monica , Castellani Christoph , Singer Georg , Till Holger , Schober Peter
Published: March 2019

The aim of this study was to evaluate whether spiroergometry performance in adolescent alpine ski racers can predict later advancement to a professional career. Over 10 consecutive years, adolescent skiers of the regional Austrian Youth Skier Squad (local level) underwent annual medical examinations, including exhaustive bicycle spiroergometry. The performance was determined at fixed (2 and 4 mmol/l serum lactate) and individual (individual anaerobic threshold (IAT) and lactate equivalent (LAE)) thresholds. Data from the last available test were compared between skiers who later advanced to the professional level (Austrian national ski team) and those who did not. Ninety-seven alpine skiers (n=51 male; n=46 female); mean age 16.6 years (range 15–18) were included. Of these, 18 adolescents (n=10 male; n=8 female) entered a professional career. No significant differences were found for maximum oxygen uptake (VO2max). Athletes advancing to the professional level had significantly higher performance and VO2 at LAE. Additionally, male professionals had significantly higher performances at fixed thresholds and the IAT. The performance and VO2 at the LAE, and thus the ability to produce power at a particular metabolic threshold, was the most relevant spiroergometric parameter to predict a later professional career.
Palladium-Catalyzed C–P Cross-Coupling between (Het)aryl Halides and Secondary Phosphine Oxides
Authors: Zakirova Gladis , Mladentsev Dmitrii , Borisova Nataliya
Published: March 2019

An efficient procedure for C–P bond formation via the palladium-catalyzed [Pd(OAc)2/dppf/Cs2CO3] reaction between dichloroheterocycles and secondary phosphine oxides was developed. The steric and electronic properties of substituents were varied to establish the scope and limitations of the method developed. By applying these conditions, a variety of new heterocyclic compounds bearing two tertiary phosphine oxides were successfully synthesized in moderate to excellent yields. After adjustments to the reaction conditions [Pd(OAc)2/dippf/t-BuOK], cross-coupling of secondary phosphine oxides with bulky (secondary or tertiary alkyl) substituents on the phosphorus atom was achieved. Extension of the methodology to monohalohetarenes and monohaloarenes was successfully carried out; once again, the steric and electronic properties of the halides were varied widely. The desired reaction occurred in all cases studied, giving high to excellent yields of product regardless of the nature and positions of substituents.
Time-resolved x-ray/optical pump-probe simulations on N2 molecules
Authors: Hanna Athiya Mahmud , Vendrell Oriol , Santra Robin
Published: March 2019

The dynamics of N22+ dications after x-ray-induced Auger decay and their probing with a delayed infrared probe pulse are theoretically investigated based on a quantum-mechanical model including all relevant electronic states for which wave-packet calculations on ab-initio potential energy curves are performed. Our results demonstrate that the N22+ yield modulated by the delay of the probe pulse contains dynamical information on the wave-packet evolution in the quasi-bound final electronic states. The Fourier transform of the calculated yield can be readily compared to experimental results [Fung et al., Nature 532, 471 (2016)] and good agreement of the main frequencies is found. Moreover, assignment of these frequencies to specific vibrational energy levels in the quasi-bound potentials is reported as well.
Assessing the utility of structure in amorphous materials
Authors: Wei Dan , Yang Jie , Jiang Min-Qiang , Dai Lan-Hong , Wang Yun-Jiang , Dyre Jeppe C. , Douglass Ian , Harrowell Peter
Published: March 2019

This paper presents a set of general strategies for the analysis of structure in amorphous materials and a general approach to assessing the utility of any selected structural description. Two measures of structure are defined, “diversity” and “utility,” and applied to two model glass forming binary atomic alloys, Cu50Zr50 and a Lennard-Jones A80B20 mixture. We show that the change in diversity associated with selecting Voronoi structures with high localization or low energy, while real, is too weak to support claims that specific structures are the prime cause of these local physical properties. In addition, a new structure-free measure of incipient crystal-like organization in mixtures is introduced, suitable for cases where the stable crystal is a compound structure.
The self-diffusion coefficients of liquid binary M-Si (M=Al, Fe, Mg and Au) alloy systems by first principles molecular dynamics simulation
Authors: Qin Jingyu , Li Xinxin , Wang Jin , Pan Shaopeng
Published: March 2019

Through first-principles molecular dynamics simulation, the self-diffusion coefficients of five elements in the four liquid binary M-Si (M=Al,Fe,Mg,Au) alloy systems are obtained under the same overheating temperature. Except for DFe, the self-diffusion coefficient of the other four elements vary significantly with concentration of Si (cSi). The mixing enthalpy between Si and M elements determines the slop of DSi vs cSi curves in Si-rich range. The dominant factor on DSi is the partial coordination number of NSiSi: the larger the NSiSi is, the smaller DSi becomes. The secondary factor on DSi is the medium-range order in liquid alloys: the stronger the medium-range order is, the smaller DSi will be. Complex behavior of coupling or decoupling of self-diffusion coefficients in these liquid binary alloys are observed.
Robust modeling of acoustic phonon transmission in nanomechanical structures
Authors: Bartlett J. , Rostem K. , Wollack E. J.
Published: March 2019

The transmission of acoustic phonons is an important element in the design and performance of nano-mechanical devices operating in the mesoscopic limit. Analytic expressions for the power transmission coefficient, T, exist only in the low-frequency limit, in cases described by thin-plate elasticity theory, and for well-defined elastic waveguiding geometries. We compare two numerical techniques based on finite-element computations to determine the frequency dependence of T for arbitrary phonon scattering structures. Both methods take into account acoustic mode conversion to acoustic and optical modes. In one case, the phase and amplitude of complex-valued reflected waves are determined and related to transmission through a Fresnel equation, while in the other, the magnitude of the transmitted mechanical power is directly calculated. The numerical robustness of these methods is demonstrated by considering the transmission across an abrupt junction in a rectangular elastic beam, a well-known problem of considerable importance in mesoscopic device physics. The simulations presented extend the standard results for acoustic phonon transmission at an abrupt junction, and are in good agreement with analytic predictions in the long-wavelength limit. More generally, the numerical methods developed provide an effective tool for calculating acoustic mode energy loss in nano-mechanical resonators through mode conversion and heat transfer in arbitrary mesoscopic structures.
Understanding the impact of C60 at the interface of perovskite solar cells via drift-diffusion modeling
Authors: Golubev Timofey , Liu Dianyi , Lunt Richard , Duxbury Phillip
Published: March 2019

Perovskite solar cells have recently seen rapid improvements in performance with certified efficiencies of above 23%. Fullerene compounds are a very popular electron-transfer material in these devices. In a previous report, it has been shown that while an ultrathin fullerene layer of just 1 nm is sufficient to achieve good device performance, removal of this layer causes a drastic decrease in performance. We provide an explanation to these observed effects by use of a numerical device model. This work provides theoretical support to the experimental understanding of the dominant role of fullerenes in perovskite solar cells.
The roles of self–absorption and radiative energy transfer in photoluminescence of N–doped carbon nanodots in solution
Authors: Zhang J. , Su Z. C. , Cui Y. , Hu G. , Tang Y. L. , Gan Z. X. , Yang L. , Lao X. Z. , Bao Y. T. , Xu S. J.
Published: March 2019

Luminescent carbon nanodots (CDs) are attracting great interests due to their unique properties in physics and chemistry. In this study we present the experimental evidences of the significant roles of self–absorption and radiative energy transfer in the photoluminescence process of N–doped CDs in water. It is found that the PL spectra, especially the relative intensity between the UV and visible bands, which are the major spectral structures, show a distinctive dependence on the concentrations of CDs, and can be well understood with the well–known Beer–Lambert law. These findings could be very helpful to deepen the existing understanding of the complex luminescence mechanisms of CDs.
Molecular force fields with gradient-domain machine learning: Construction and application to dynamics of small molecules with coupled cluster forces
Authors: Sauceda Huziel E. , Chmiela Stefan , Poltavsky Igor , Müller Klaus-Robert , Tkatchenko Alexandre
Published: March 2019

We present the construction of molecular force fields for small molecules (less than 25 atoms) using the recently developed symmetrized gradient-domain machine learning (sGDML) approach [Chmiela et al., Nat. Commun. 9, 3887 (2018) and Chmiela et al., Sci. Adv. 3, e1603015 (2017)]. This approach is able to accurately reconstruct complex high-dimensional potential-energy surfaces from just a few 100s of molecular conformations extracted from ab initio molecular dynamics trajectories. The data efficiency of the sGDML approach implies that atomic forces for these conformations can be computed with high-level wavefunction-based approaches, such as the “gold standard” coupled-cluster theory with single, double and perturbative triple excitations [CCSD(T)]. We demonstrate that the flexible nature of the sGDML model recovers local and non-local electronic interactions (e.g., H-bonding, proton transfer, lone pairs, changes in hybridization states, steric repulsion, and n → π* interactions) without imposing any restriction on the nature of interatomic potentials. The analysis of sGDML molecular dynamics trajectories yields new qualitative insights into dynamics and spectroscopy of small molecules close to spectroscopic accuracy.
Self-biased magnetoelectric gyrators in composite of samarium substituted nickel zinc ferrites and piezoelectric ceramics
Authors: Zhang Jitao , Chen Dongyu , Li Kang , Filippov D. A. , Ge Bingfeng , Zhang Qingfang , Hang Xinxin , Cao Lingzhi , Srinivasan Gopalan
Published: March 2019

Magnetoelectric (ME) gyrators consisting of system of Sm-doped NiZn ferrites (Ni1-xZnxSm0.02Fe1.98O4, 0.2≤x≤0.5) and piezoelectric ceramics [Pb(Zr, Ti)O3] with coil wound around have been developed. Distinct hysteresis behaviors were observed in off-resonance ME couplings and power conversion efficiency (PE) characterizations, resulting in a non-zero ME response and anticipating a higher remanent PE at zero bias. Consequently, light samarium doping facilitates the enhancement of PE, which reaches its maximum of 81.5% under optimum bias and self-biasing value of 58.5% under zero bias in the composite of Ni0.8Zn0.2Sm0.02Fe1.98O4/PZT trilayer respectively, exhibiting approximately 2.2 times higher than the counterpart without any samarium doping. These findings provide great possibilities of ME gyrators for miniaturized devices deployed in power electronics, converters and wireless energy harvesters without a sacrifice in magneto-mechanical efficiency.
Sub-nanosecond pulse programming and device design strategy for analog resistive switching in HfOx-based resistive random access memory
Authors: Hang Cheng-Zhou , Wang Chen , Gao Bin , Chen Huan , Xu Ming-Hong , Hao Liang , Lu Hong-Liang
Published: March 2019

The analog switching behavior of resistive random access memory (RRAM) is crucial for its application in neuromorphic computing. This paper investigates the switching mechanism of RRAM under sub-nanosecond and nanosecond pulse programming, with selected device materials and structures, using the kinetic Monte Carlo simulation method. The microscopic distribution of oxygen vacancies is simulated in all three spatial dimensions and in the time dimension (four-dimensional). According to the simulation results, thermal effects are a critical factor affecting the switching behavior. The thermal effects inside the HfOx switching layer can be almost completely eliminated by using sub-nanosecond pulses with low voltage, finally leading to good analog behavior. When nanosecond pulses are applied, effective heat insulation is the key to realizing analog characteristics. In general, the switching process is proposed to involve three stages. Having the lowest energy consumption, the first stage shows the greatest potential for achieving analog behavior. The use of heat-isolating structures, like capping layers and side wall materials with lower thermal conductance, could be a solution to improve the analog behavior of RRAM at the first stage when down-scaling the device size.
Mössbauer analysis of compositional tuning of magnetic exchange interactions in high entropy alloys
Authors: Perrin Alice , Sorescu Monica , Ravi Vishal , Laughlin David E. , McHenry Michael E.
Published: March 2019

We measured the change in the average hyperfine field strength of several high entropy alloys in relation to small compositional deviations from the equiatomic alloy, FeCoNiCuMn. Mössbauer spectra of four psuedo-binary systems, in which Mn content is increased and another element was decreased in equal measure, reveal several discrete peaks in the hyperfine field distribution that show evidence of the discrete exchange interactions between magnetic elements in the alloy. A simple linear regression modelling the perturbation of the average hyperfine field when the composition is altered calculates the contribution of each atom to the overall average. The average hyperfine field is linear with Tc, so these values allow us to estimate Tc for alloys with more complex compositional variation within the window of linearity (<24% Mn based on other alloys). The results were confirmed experimentally by calculating Tc of two new alloys, Fe19Co20Ni19Cu19Mn23 and Fe19Co20Ni19Cu20Mn22.