bluuebunny/crossref_metadata_2025 huggingface dataset:
Nano-layer deposition of metal oxides via a condensed water film
Authors: Jasim Ahmed M. , He Xiaoqing , White Tommi A. , Xing Yangchuan
Published: March 2020

Nanocoatings on solids can be achieved by various processes, including sol-gel and atomic layer deposition. However, challenges remain for achieving uniform nanocoatings on nanoscale substrates at a large scale. Here, we report a versatile and fundamentally different technique, termed condensed layer deposition, for depositing conformal metal oxide nanocoatings on nanoparticles and nanofibers. This approach involves water in liquid hydrocarbons condensing as a nanoscale water film on the substrate surface, enabled by interfacial tension between polar water and nonpolar liquid hydrocarbons. Chemical precursors are then added, which react with the condensed water film to form a metal oxide nanocoating. We demonstrate this for titania, alumina, and niobia on substrates including carbon nanotubes, iron oxide particles and carbon black. Condensed layer deposition can achieve oxide nanocoatings on a variety of substrates with tunable thickness, in one pass, at room temperature.
Genetically fused charged peptides induce rapid crystallization of proteins
Authors: Minamihata K. , Tsukamoto K. , Adachi M. , Shimizu R. , Mishina M. , Kuroki R. , Nagamune T.
Published: March 2020

Electrostatic interaction between genetically fused charged peptides facilitates self-assembly of streptavidin to form crystals within a few hours.
Biological control ofS-nitrosothiol reactivity: potential role of sigma-hole interactions
Authors: Hendinejad Niloufar , Timerghazin Qadir K.
Published: March 2020

S-Nitrosothiols, ubiquitous biological derivatives of nitric oxide, can engage in σ-hole/bonding with Lewis bases, which, in combination with hydrogen bonding with Lewis acids, could be the basis of enzymatic control ofS-nitrosothiol reactions.
Molecular dynamics simulations reveal distinct differences in conformational dynamics and thermodynamics between the unliganded and CD4-bound states of HIV-1 gp120
Authors: Li Yi , Deng Lei , Liang Jing , Dong Guang-Heng , Xia Yuan-Ling , Fu Yun-Xin , Liu Shu-Qun
Published: March 2020

Large changes in dynamics and thermodynamics of gp120 upon CD4 binding account for the functional and immunological properties of HIV/gp120.
H/D solvent isotope effects on the photoracemization reaction of enantiomeric the tris(2,2′-bipyridine)ruthenium(ii) complex and its analogues
Authors: Asahara Masahiro , Kurimoto Haruhiko , Nakamizu Masato , Hattori Shingo , Shinozaki Kazuteru
Published: March 2020

This work assessed solvent isotope effects on the photoracemization rate and emission lifetime for [Ru(bpy)3]2+ (bpy = 2,2′-bipyridine) in water.
New insights into HER catalysis: the effect of nano-silica support on catalysis by silver nanoparticles
Authors: Rolly Gifty Sara , Meyerstein Dan , Yardeni Guy , Bar-Ziv Ronen , Zidki Tomer
Published: March 2020

Nano-silica support affects the activity of silver nanoparticles towards the hydrogen evolution reaction by (CH3)2COH˙ radicals.
Towards high-performance solid-state Li–S batteries: from fundamental understanding to engineering design
Authors: Yang Xiaofei , Luo Jing , Sun Xueliang
Published: March 2020

This review article provides a comprehensive overview of solid-state Li–S batteries from the viewpoints of fundamental study and engineering design.
Origin of high piezoelectricity of inorganic halide perovskite thin films and their electromechanical energy-harvesting and physiological current-sensing characteristics
Authors: Kim Da Bin , Park Kwan Hyun , Cho Yong Soo
Published: March 2020

This work reports the origin of high piezoelectricity of inorganic halide thin films poled at high fields along with the electromechanical energy-harvesting and motion-sensing performance.
Comparative differential cuproproteomes of Rhodobacter capsulatus reveal novel copper homeostasis related proteins
Authors: Selamoglu Nur , Önder Özlem , Öztürk Yavuz , Khalfaoui-Hassani Bahia , Blaby-Haas Crysten E , Garcia Benjamin A , Koch Hans-Georg , Daldal Fevzi
Published: March 2020

Copper (Cu) is an essential, but toxic, micronutrient for living organisms and cells have developed sophisticated response mechanisms towards both the lack and the excess of Cu in their environments. In this study, we achieved a global view of Cu-responsive changes in the prokaryotic model organism Rhodobacter capsulatus using label-free quantitative differential proteomics. Semi-aerobically grown cells under heterotrophic conditions in minimal medium (∼0.3 μM Cu) were compared with cells supplemented with either 5 μM Cu or with 5 mM of the Cu-chelator bathocuproine sulfonate. Mass spectrometry based bottom-up proteomics of unfractionated cell lysates identified 2430 of the 3632 putative proteins encoded by the genome, producing a robust proteome dataset for R. capsulatus. Use of biological and technical replicates for each growth condition yielded high reproducibility and reliable quantification for 1926 of the identified proteins. Comparison of cells grown under Cu-excess or Cu-depleted conditions to those grown under minimal Cu-sufficient conditions revealed that 75 proteins exhibited statistically significant (p < 0.05) abundance changes, ranging from 2- to 300-fold. A subset of the highly Cu-responsive proteins was orthogonally probed using molecular genetics, validating that several of them were indeed involved in cellular Cu homeostasis.
AgNPs encapsulated by an amine-functionalized polymer nanocatalyst for CO2fixation as a carboxylic acid and the oxidation of cyclohexane under ambient conditions
Authors: Salam Noor , Paul Priyanka , Ghosh Swarbhanu , Mandi Usha , Khan Aslam , Alam Seikh Mafiz , Das Debasis , Manirul Islam Sk.
Published: March 2020

A novel catalyst comprising Ag NPs grafted to a porous polystyrene material was synthesized for the production of valuable propiolic acid derivativesviaCO2(1 atm) incorporation, and the oxidation of cyclohexane under ambient reaction conditions.
An intramolecular 1,5-chalcogen bond on the conformational preference of carbonyl thiocarbamate species
Authors: Channar Pervaiz Ali , Saeed Aamer , Larik Fayaz Ali , Flörke Ulrich , El-Seedi Hesham , Rodríguez Pirani Lucas S. , Erben Mauricio F.
Published: March 2020

Two closely related carbamothioates were prepared by the reaction of benzoyl isothiocyanates and methanol. The crystal structures show the occurrence of 1,5-O⋯O intramolecular short distance that determines the conformational preference.
The fabrication of dendrimeric phenylboronic acid-functionalized magnetic graphene oxide nanoparticles with excellent adsorption performance for the separation and purification of horseradish peroxidase
Authors: Xing Youyuan , Han Juan , Wang Lei , Li Chunmei , Wu Jiacong , Mao Yanli , Ni Liang , Wang Yun
Published: March 2020

A dendrimeric phenylboronic acid-affinitive magnetic graphene oxide nanoparticle was synthesized and used to separate and purify HRP.
Understanding the structural diversity of freestanding Al2O3 ultrathin films through a DFTB-aided genetic algorithm
Authors: Van den Bossche Maxime , Noguera Claudine , Goniakowski Jacek
Published: March 2020

Global optimization reveals a host of unexpected Al2O3 thin film structures stabilized by three different microscopic mechanisms.
A self-assembled nanohelix for white circularly polarized luminescenceviachirality and energy transfer
Authors: Ma Sijia , Jiang Jian , Liu Zongwen , Jiang Yuqian , Wu Zhanpeng , Liu Minghua
Published: March 2020

Chiral nanostructures and their optical activity have been attracting great interest.
Dehydrogenation and α-functionalization of secondary amines by visible-light-mediated catalysis
Authors: Stanek Filip , Pawlowski Robert , Morawska Paulina , Bujok Robert , Stodulski Maciej
Published: March 2020

A visible-light-mediated process for dehydrogenation of amines has been described. The given protocol showed a broad substrate scope, mild reaction conditions and excellent results without the requirement of tedious purification.
Peculiarities of crystal structures and photophysical properties of GaIII/LnIII metallacrowns with a non-planar [12-MC-4] core
Authors: Nguyen Tu N. , Eliseeva Svetlana V. , Chow Chun Y. , Kampf Jeff W. , Petoud Stéphane , Pecoraro Vincent L.
Published: March 2020

The direct synthetic approach can be used to create a series of visible and near-infrared emitting GaIII/LnIII metallacrowns with a non-planar [12-MC-4] core.
Construction of well-designed 1D selenium–tellurium nanorods anchored on graphene sheets as a high storage capacity anode material for lithium-ion batteries
Authors: Ullah Sadeeq , Yasin Ghulam , Ahmad Aftab , Qin Lei , Yuan Qipeng , Khan Arif Ullah , Khan Usman Ali , Rahman Aziz Ur , Slimani Yassine
Published: March 2020

The graphical illustration of the preparation of the SeTe@rGO composite material and its electrochemical application in Li-ion batteries.
Tunable spin-polarized band gap in Si2/NiI2 vdW heterostructure
Authors: Duarte de Vargas Douglas , Baierle Rogério José
Published: March 2020

Using density functional theory (DFT) calculations we investigate the structural and electronic properties of a heterogeneous van der Waals (vdW) structure consisting of silicene and NiI2 single layers.
Boosting the oxygen evolution catalytic performance of perovskites via optimizing calcination temperature
Authors: Lin Qian , Zhu Yinlong , Hu Zhiwei , Yin Yichun , Lin Hong-Ji , Chen Chien-Te , Zhang Xiwang , Shao Zongping , Wang Huanting
Published: March 2020

Simultaneous modulation of intrinsic activity and active site numbers via calcination temperature regulation leads to optimal OER performance of perovskites.
Nanoclay-functionalized 3D nanofibrous scaffolds promote bone regeneration
Authors: Yao Qingqing , Fuglsby Kirby E. , Zheng Xiao , Sun Hongli
Published: March 2020

A nanoclay-enriched 3D nanofibrous biomimetic scaffold with strong bone regenerative ability by virtue of its improved mechanical properties, osteoconductivity, and drug binding capacity was developed.
Gold nanoparticle-conjugated nanomedicine: design, construction, and structure–efficacy relationship studies
Authors: Wang Wenjie , Wang Jing , Ding Ya
Published: March 2020

Recent studies on gold nanoparticle-conjugated nanomedicine are reviewed with a focus on design, construction, and structure–efficacy relationship studies.
Electrochemiluminescence analysis of tryptophan in aqueous solutions based on its reaction with tetraphenylborate anions
Authors: Zholudov Yuriy , Lysak Natalia , Snizhko Dmytro , Reshetniak Olena , Xu Guobao
Published: March 2020

A pulsed electrogenerated chemiluminescence is observed upon the oxidation of tryptophan amino acid in aqueous solutions with a tetraphenylborate co-reactant.
High yielding self-assembly favored by preorganization
Authors: Zhang Chi , Jiao Tianyu , Tong Lu , Wang Hongye , Pan Yuanjiang , Li Hao
Published: March 2020

A series of macrocyclic molecules were self-assembled via imine condensation. Their yields result from preorganization of the precursors.
Selective metalation of phenol-type proligands for preparative organometallic chemistry
Authors: Berkefeld Andreas , Fröhlich Markus , Kordan Mike , Hörner Gerald , Schubert Hartmut
Published: March 2020

The selective C-metalation of phenol ester derived proligands is a readily applicable addition to state-of-the-art protocols toward cyclometalated structures, in particular of the base metals.
Phonon coupling induced thermophoresis of water confined in a carbon nanotube
Authors: Rajegowda Rakesh , Anandakrishnan Abhijith , Sathian Sarith P.
Published: March 2020

The phonons in CNT are found to be suppressed by the presence of water, giving new insight into thermophoresis.
Liquid ToF-SIMS revealing the oil, water, and surfactant interface evolution
Authors: Shen Yanjie , Yao Jenn , Son Jiyoung , Zhu Zihua , Yu Xiao-Ying
Published: March 2020

In situ liquid ToF-SIMS, a unique tool to observe water clusters and cluster ions, gives new insight into the evolution of the oil–water interface.
Ru–polyoxometalate as a single-atom electrocatalyst for N2 reduction to NH3 with high selectivity at applied voltage: a perspective from DFT studies
Authors: Lin Linghui , Gao Liye , Xie Ke , Jiang Rong , Lin Sen
Published: March 2020

Polyoxometalate supported Ru1 achieves high NRR selectivity at applied voltage while maintaining high activity.
Effect of lattice mismatch and shell thickness on strain in core@shell nanocrystals
Authors: Gamler Jocelyn T. L. , Leonardi Alberto , Sang Xiahan , Koczkur Kallum M. , Unocic Raymond R. , Engel Michael , Skrabalak Sara E.
Published: March 2020

Bimetallic nanocrystals with core@shell architectures are versatile particles. Geometric phase analysis of TEM images and atomistic simulations are coupled to reveal the lattice relaxation as a function of lattice mismatch and shell thickness.
Electrostatically modulated magnetophoretic transport of functionalised iron-oxide nanoparticles through hydrated networks
Authors: Lyons Stephen , Mc Kiernan Eoin P. , Dee Garret , Brougham Dermot F. , Morrin Aoife
Published: March 2020

Factors that determine magnetophoretic transport of magnetic nanoparticles (MNPs) through hydrated polymer networks under the influence of an external magnetic field gradient were studied.
Use of calixarenes bearing diazonium groups for the development of robust monolayers with unique tailored properties
Authors: Troian-Gautier Ludovic , Mattiuzzi Alice , Reinaud Olivia , Lagrost Corinne , Jabin Ivan
Published: March 2020

Calixarene-based diazonium salts can be easily synthesized in a few steps. This review surveys recent examples that illustrate the key advantages of these highly reactive molecular platforms for surface modification.
Construction of hierarchical MoSe2@C hollow nanospheres for efficient lithium/sodium ion storage
Authors: Zhang Xueqian , Xiong Yali , Dong Mengfei , Hou Zhiguo , Qian Yitai
Published: March 2020

Hierarchical MoSe2@C hollow nanospheres are synthesized via an anion-exchange reaction and exhibit good electrochemical performance.
Effect of NH3 and HCOOH on the H2O2 + HO → HO2 + H2O reaction in the troposphere: competition between the one-step and stepwise mechanisms
Authors: Zhang Tianlei , Wen Mingjie , Zeng Zhaopeng , Lu Yousong , Wang Yan , Wang Wei , Shao Xianzhao , Wang Zhiyin , Makroni Lily
Published: March 2020

The H2O2 + HO → HO2 + H2O reaction is an important reservoir for both radicals of HO and HO2 catalyzing the destruction of O3.
Efficient fluorescent OLEDS based on assistant acceptor modulated HLCT emissive state for enhancing singlet exciton utilization
Authors: Jayabharathi Jayaraman , Anudeebhana Jagathratchagan , Thanikachalam Venugopal , Sivaraj Sekar
Published: March 2020

OLED with C6/C9 substituted phenanthroimidazoles (DDPPPA/DDPBA) show blue emission with maximum external quantum efficiency (ηex), current efficiency (ηc) and power efficiency (ηp) of 5.7/6.0%, 10.5/12.0 cd A−1and 8.3/9.2 lm W−1, respectively.
Acyl azide generation and amide bond formation in continuous-flow for the synthesis of peptides
Authors: Mata Alejandro , Weigl Ulrich , Flögel Oliver , Baur Pius , Hone Christopher A. , Kappe C. Oliver
Published: March 2020

Acyl azides were safely generated by using nitrous acid in water and reactedin situwithin a flow system. The acyl azide was efficiently extracted into the organic phase containing an amine nucleophile for a highly enantioselective peptide coupling.
A happy medium: the synthesis of medicinally important medium-sized rings via ring expansion
Authors: Clarke Aimee K. , Unsworth William P.
Published: March 2020

Ring expansion strategies are ideally suited to make synthetically challenging, medium-sized rings with much potential in medicinal chemistry.
Type I photosensitizers based on phosphindole oxide for photodynamic therapy: apoptosis and autophagy induced by endoplasmic reticulum stress
Authors: Zhuang Zeyan , Dai Jun , Yu Maoxing , Li Jianqing , Shen Pingchuan , Hu Rong , Lou Xiaoding , Zhao Zujin , Tang Ben Zhong
Published: March 2020

Phosphindole oxide-based photosensitizers with Type I reactive oxygen species generation ability are developed and used for endoplasmic reticulum stress-mediated photodynamic therapy of tumors.
A highly mismatched NiO2-to-Pd hetero-structure as an efficient nanocatalyst for the hydrogen evolution reaction
Authors: Bhalothia Dinesh , Shuan Lin , Wu Yi-Jia , Yan Che , Wang Kuan-Wen , Chen Tsan-Yao
Published: March 2020

NiO2 base crystal serves as an electron donor source which injects electrons to Pd nanocrystals by strong electronegativity difference and lattice strain. It creates a high density of active sites on the NC surface and thus improves the HER kinetics.
Probing particle heteroaggregation using analytical centrifugation
Authors: Rey Marcel , Uttinger Maximilian J. , Peukert Wolfgang , Walter Johannes , Vogel Nicolas
Published: March 2020

We study the aggregation of silica particles and poly(N-isopropylacrylamide) microgels by analytical centrifugation. We demonstrate that the technique can yield quantitative information on the formation of defined clusters and large aggregates.
Multiplicity of the red supergiant population in the young massive cluster NGC 330
Authors: Patrick L. R. , Lennon D. J. , Evans C. J. , Sana H. , Bodensteiner J. , Britavskiy N. , Dorda R. , Herrero A. , Negueruela I. , de Koter A.
Published: March 2020

Context. The multiplicity properties of massive stars are one of the important outstanding issues in stellar evolution. Quantifying the binary statistics of all evolutionary phases is essential to paint a complete picture of how and when massive stars interact with their companions, and to determine the consequences of these interactions.

Aims. We investigate the multiplicity of an almost complete census of red supergiant stars (RSGs) in NGC 330, a young massive cluster in the Small Magellanic Cloud.

Methods. Using a combination of multi-epoch HARPS and MUSE spectroscopy, we estimate radial velocities and assess the kinematic and multiplicity properties of 15 RSGs in NGC 330.

Results. Radial velocities are estimated to better than ±100 m s−1 for the HARPS data. The line-of-sight velocity dispersion for the cluster is estimated as σ1D = 3.20 +0.69−0.52 km s−1. When virial equilibrium is assumed, the dynamical mass of the cluster is log (Mdyn/M⊙) = 5.20 ± 0.17, in good agreement with previous upper limits. We detect significant radial velocity variability in our multi-epoch observations and distinguish between variations caused by atmospheric activity and those caused by binarity. The binary fraction of NGC 330 RSGs is estimated by comparisons with simulated observations of systems with a range of input binary fractions. In this way, we account for observational biases and estimate the intrinsic binary fraction for RSGs in NGC 330 as fRSG = 0.3 ± 0.1 for orbital periods in the range 2.3 < log P [days] < 4.3, with q >  0.1. Using the distribution of the luminosities of the RSG population, we estimate the age of NGC 330 to be 45 ± 5 Myr and estimate a red straggler fraction of 50%.

Conclusions. We estimate the binary fraction of RSGs in NGC 330 and conclude that it appears to be lower than that of main-sequence massive stars, which is expected because interactions between an RSG and a companion are assumed to effectively strip the RSG envelope.
Modelling the He I triplet absorption at 10 830 Å in the atmosphere of HD 209458 b
Authors: Lampón M. , López-Puertas M. , Lara L. M. , Sánchez-López A. , Salz M. , Czesla S. , Sanz-Forcada J. , Molaverdikhani K. , Alonso-Floriano F. J. , Nortmann L. , Caballero J. A. , Bauer F. F. , Pallé E. , Montes D. , Quirrenbach A. , Nagel E. , Ribas I. , Reiners A. , Amado P. J.
Published: March 2020

Context. HD 209458 b is an exoplanet with an upper atmosphere undergoing blow-off escape that has mainly been studied using measurements of the Lyα absorption. Recently, high-resolution measurements of absorption in the He I triplet line at 10 830 Å of several exoplanets (including HD 209458 b) have been reported, creating a new opportunity to probe escaping atmospheres.

Aims. We aim to better understand the atmospheric regions of HD 209458 b from where the escape originates.

Methods. We developed a 1D hydrodynamic model with spherical symmetry for the HD 209458 b thermosphere coupled with a non-local thermodynamic model for the population of the He I triplet state. In addition, we performed high-resolution radiative transfer calculations of synthetic spectra for the helium triplet lines and compared them with the measured absorption spectrum in order to retrieve information about the atmospheric parameters.

Results. We find that the measured spectrum constrains the [H]/[H+] transition altitude occurring in the range of 1.2 RP–1.9 RP. Hydrogen is almost fully ionised at altitudes above 2.9 RP. We also find that the X-ray and extreme ultraviolet absorption takes place at effective radii from 1.16 to 1.30 RP, and that the He I triplet peak density occurs at altitudes from 1.04 to 1.60 RP. Additionally, the averaged mean molecular weight is confined to the 0.61–0.73 g mole−1 interval, and the thermospheric H/He ratio should be larger than 90/10, and most likely approximately 98/2. We also provide a one-to-one relationship between mass-loss rate and temperature. Based on the energy-limited escape approach and assuming heating efficiencies of 0.1–0.2, we find a mass-loss rate in the range of (0.42–1.00) ×1011 g s−1 and a corresponding temperature range of 7125–8125 K.

Conclusions. The analysis of the measured He I triplet absorption spectrum significantly constrains the thermospheric structure of HD 209458 b and advances our knowledge of its escaping atmosphere.
The Tucana dwarf spheroidal galaxy: not such a massive failure after all
Authors: Taibi S. , Battaglia G. , Rejkuba M. , Leaman R. , Kacharov N. , Iorio G. , Jablonka P. , Zoccali M.
Published: March 2020

Context. Isolated local group (LG) dwarf galaxies have evolved most or all of their life unaffected by interactions with the large LG spirals and therefore offer the opportunity to learn about the intrinsic characteristics of this class of objects.

Aims. Our aim is to explore the internal kinematic and metallicity properties of one of the three isolated LG early-type dwarf galaxies, the Tucana dwarf spheroidal. This is an intriguing system, as it has been found in the literature to have an internal rotation of up to 16 km s−1, a much higher velocity dispersion than dwarf spheroidals of similar luminosity, and a possible exception to the too-big-too-fail problem.

Methods. We present the results of a new spectroscopic dataset that we procured from the Very Large Telescope (VLT) taken with the FORS2 instrument in the region of the Ca II triplet for 50 candidate red giant branch stars in the direction of the Tucana dwarf spheroidal. These yielded line-of-sight (l.o.s.) velocity and metallicity ([Fe/H]) measurements of 39 effective members that double the number of Tucana’s stars with such measurements. In addition, we re-reduce and include in our analysis the other two spectroscopic datasets presented in the literature, the VLT/FORS2 sample by Fraternali et al. (2009, A&A, 499, 121), and the VLT/FLAMES one from Gregory et al. (2019, MNRAS, 485, 2010).

Results. Across the various datasets analyzed, we consistently measure a l.o.s. systemic velocity of 180 ± 1.3 km s−1 and find that a dispersion-only model is moderately favored over models that also account for internal rotation. Our best estimate of the internal l.o.s. velocity dispersion is 6.2−1.3+1.6 km s−1, much smaller than the values reported in the literature and in line with similarly luminous dwarf spheroidals; this is consistent with NFW halos of circular velocities < 30 km s−1. Therefore, Tucana does not appear to be an exception to the too-big-to-fail problem, nor does it appear to reside in a dark matter halo much more massive than those of its siblings. As for the metallicity properties, we do not find anything unusual; there are hints of the presence of a metallicity gradient, but more data are needed to pinpoint its presence.
Empirical measures: regularity is a counter-curse to dimensionality
Authors: Kloeckner Benoît R.
Published: March 2020

We propose a “decomposition method” to prove non-asymptotic bound for the convergence of empirical measures in various dual norms. The main point is to show that if one measures convergence in duality with sufficiently regular observables, the convergence is much faster than for, say, merely Lipschitz observables. Actually, assuming s derivatives with s > d∕2 (d the dimension) ensures an optimal rate of convergence of 1/√n (n the number of samples). The method is flexible enough to apply to Markov chains which satisfy a geometric contraction hypothesis, assuming neither stationarity nor reversibility, with the same convergence speed up to a power of logarithm factor. Our results are stated as controls of the expected distance between the empirical measure and its limit, but we explain briefly how the classical method of bounded difference can be used to deduce concentration estimates.
Invariant measures of interacting particle systems: Algebraic aspects
Authors: Fredes Luis , Marckert Jean-François
Published: March 2020

Consider a continuous time particle system ηt = (ηt(k), k ∈ 𝕃), indexed by a lattice 𝕃 which will be either ℤ, ℤ∕nℤ, a segment {1, ⋯ , n}, or ℤd, and taking its values in the set
Eκ𝕃
where Eκ = {0, ⋯ , κ − 1} for some fixed κ ∈{∞, 2, 3, ⋯ }. Assume that the Markovian evolution of the particle system (PS) is driven by some translation invariant local dynamics with bounded range, encoded by a jump rate matrix ⊤. These are standard settings, satisfied by the TASEP, the voter models, the contact processes. The aim of this paper is to provide some sufficient and/or necessary conditions on the matrix ⊤ so that this Markov process admits some simple invariant distribution, as a product measure (if 𝕃 is any of the spaces mentioned above), the law of a Markov process indexed by ℤ or [1, n] ∩ ℤ (if 𝕃 = ℤ or {1, …, n}), or a Gibbs measure if 𝕃 = ℤ/nℤ. Multiple applications follow: efficient ways to find invariant Markov laws for a given jump rate matrix or to prove that none exists. The voter models and the contact processes are shown not to possess any Markov laws as invariant distribution (for any memory m). (As usual, a random process X indexed by ℤ or ℕ is said to be a Markov chain with memory m ∈ {0, 1, 2, ⋯ } if ℙ(Xk ∈ A | Xk−i, i ≥ 1) = ℙ(Xk ∈ A | Xk−i, 1 ≤ i ≤ m), for any k.) We also prove that some models close to these models do. We exhibit PS admitting hidden Markov chains as invariant distribution and design many PS on ℤ2, with jump rates indexed by 2 × 2 squares, admitting product invariant measures.
Nachsorge bei Krebs: ausgewählte solide Tumore und hämatologische Neoplasien
Authors: Kanz Lothar , Rörden Malte , Hinterleitner Clemens , Metzger Janina
Published: March 2020

In der Tumortherapie hat die onkologische Nachsorge einen zentralen Stellenwert. Ihre Aufgaben sind vielfältig: Vorrangig geht es um das Erkennen und Behandeln von Rezidiven und Zweiterkrankungen sowie von Früh- und Spätfolgen vorangegangener Therapien. Dabei ist zu berücksichtigen, dass unterschiedliche Tumore auch ein unterschiedliches Nachsorgemanagement erfordern. Welche aktuellen Empfehlungen vorliegen, zeigt dieser Beitrag.
Fast and Efficient Green Procedure for the Synthesis of Benzo[5,6]chromene Derivatives and Their Sulfur Analogues in Water by Organocatalyst Potassium Phthalimide-N-oxyl
Authors: Etivand Nasser , Khalafy Jabbar , Dekamin Mohammad G.
Published: March 2020

A simple, clean, straightforward, and environmentally benign one-pot, three-component reaction of various arylglyoxal monohydrates, β-naphthol, and barbituric acid [pyrimidine-2,4,6(1H,3H,5H)-trione] or thiobarbituric acid in the presence of catalytic amounts potassium phthalimide-N-oxyl (PPINO), as a mild and efficient organocatalyst in aqueous media under reflux conditions is reported. This transformation produced the novel diverse-substituted 12-benzoyl-8,12-dihydro-9H-benzo[5,6]chromeno[2,3-d]pyrimidine-9,11(10H)-diones and their sulfur analogues in 82–93% yield via filtration and without utilization of any chromatography. The high yields of products, very simple operation, easy workup, availability of starting materials, green process, and high atom-economy are the main benefits of this synthetic strategy.
The Origin of the Cerebral Palsies: Contribution of Population-Based Neuroimaging Data
Authors: Horber Veronka , Sellier Elodie , Horridge Karen , Rackauskaite Gija , Andersen Guro L. , Virella Daniel , Ortibus Els , Dakovic Ivana , Hensey Owen , Radsel Anja , Papavasiliou Antigone , Cruz De la Javier , Arnaud Catherine , Krägeloh-Mann Ingeborg , Himmelmann Kate
Published: March 2020

Background Surveillance of cerebral palsy in Europe (SCPE) presents the first population-based results on neuroimaging findings in children with cerebral palsy (CP) using a magnetic resonance imaging classification system (MRICS).

Method MRIs of children with CP born between 1999 and 2009 from 18 European countries were analyzed. MRICS identifies patterns of brain pathology according to timing during brain development which was analyzed with respect to CP subtypes and gestational age.

Results MRIs or written reports from 3,818 children were available. The main clinical characteristics were similar to the 5,415 without such data. Most frequent was predominant white matter injury (49%), followed by predominant gray matter injury (21%). Maldevelopments were found in 11% of cases. Miscellaneous findings were present in 8.5% and normal findings in 10.6%. MRI patterns of children with unilateral spastic, bilateral spastic, and dyskinetic CP were mainly lesional (77, 71, and 59%, respectively), whereas children with ataxic CP had more maldevelopments, miscellaneous, and normal findings (25, 21, and 32%, respectively). In children born preterm, predominant white matter injury was most prevalent (80% in children born <32 weeks of gestation).

Conclusion Analysis of MRI in the European CP database identified CP as a mainly lesional condition on a large population basis, maldevelopments were relatively uncommon. An exception was ataxic CP. Children born preterm mostly presented with a lesion typical for their gestational age (GA) at birth. The decreasing prevalence of CP in this group suggests that progress in perinatal and neonatal medicine may lead to a reduction of these lesions.
Effect of Internship Program on Self-Reported Clinical Competence among BSc Nursing Students in Selected Nursing Colleges at Mangaluru
Authors: Kannappan Sujatha R. , Sunny Vineetha
Published: March 2020

Introduction Nursing is a profession within the health care sector focused on the care of individuals, families, and communities, and they are the backbone of the health care team. In the early period, competency includes the assessment of personal qualities of a nurse such as values, skills, judgment, and attitude. Nursing students should be given adequate training during the study period to become clinically competent nurses and must be ready to compete with the dynamic world.

Objective This study was conducted to find the effect of internship program on self-reported clinical competence of BSc nursing students.

Methodology Pre-experimental design adopted with 124 fourth-year BSc nursing students selected using a simple random sampling technique. For assessing the clinical competence, the researchers found a study, where a standard clinical competence tool was developed and used. The self-reported clinical competence questionnaire consists of nursing professional behaviors, general performance, core nursing skills, and advanced nursing skills.

Results The results of this study show that a total mean score of the level of clinical competency in the pretest was 86.2 ± 8.6 and lower compared with the posttest 208.5 ± 17.6. Majority of the students (73%) were advanced learners in the pretest and gained competence as experts (94%) in the posttest. One skilled learner found in the pretest promoted to the level of competent learner in the posttest.

Conclusion Exposure to the clinical field and practice through an internship program can help student nurses to improve skills. From this study, the researchers found that the internship program has a great impact on improving clinical competence among nursing students.
LOW SERUM IRON LEVEL AND LYMPHOCYTE DNA DAMAGE AMONG ADULTS
Authors: Samal Pinak , N. Suchetha Kumari , Samal Indira R. , Sathish Kathyayani
Published: March 2020

Cellular DNA damage has been related to both external and internal factors. Serum Iron is one of the factors which has importance in the oxidative status of the cell. Higher iron levels have been found to be associated with imbalance in the oxidation-antioxidant system and has been associated with DNA damage due to oxidative stress. However, oxidative stress and DNA damage has also been reported in iron deficiency states, in some studies. It appears that the body iron level should be maintained at optimum level for a balanced scenario and both iron excess as well as iron deficiency states may be associated with oxidative stress and attendant DNA damage. In this study, the blood collected from eighty four volunteers (fifty six males and twenty eight females) was subjected to estimation of serum iron (Bathophenanthroline method). Also, Lymphocyte DNA damage was ascertained by Alkaline Comet Assay method (Qualitative assessment only). The range of serum iron in this group was found to be between 39.91 μgm/dl – 93.55 μgm/dl in females and between 37.7 μgm/dl – 133.63 μgm/dl in males. Very high as well as very low serum iron was not found in this study group as the volunteers were all ambulatory and asymptomatic. Among the volunteers who had serum iron less than 50 μgm/dl(N=17), eleven (64.7%) had evidence of DNA damage as per the alkaline comet assay. Among the group having serum iron 51-70 μgm/dl (N=34), fourteen (41%), had evidence of DNA damage. Similarly, among the group, having serum iron 71-90 μgm/dl (N=27), evidence of DNA damage was seen in ten (37%) persons. There were very few persons with serum iron more than 91 μgm/dl (N= 6) and out of them two had evidence of DNA damage. In total, out of 84 persons, thirty seven (44%) had evidence of DNA damage as per alkaline comet assay. This trend of inverse dose response relationship was also noticed separately among males as well as in females. This is a preliminary exploratory study in India (although a few similar reports also exist in studies done in other parts of the world) and admittedly, had not taken into account of other confounding factors. Nevertheless, the findings suggesting association of low serum iron level and DNA damage, which has also been reported in some earlier studies at other parts of the world, need further examination through larger controlled studies.
EFFECTIVENESS OF AN INFORMATION BOOKLET ON KNOWLEDGE REGARDING THE IMPORTANCE OF BIRTH SPACING
Authors: Chacko Tintu , Fernandes Philomena
Published: March 2020

The study was conducted to assess the effectiveness of an information booklet on knowledge regarding the importance of birth spacing among primi para mothers from 01.08.2011 to 31.10.2011. An evaluative approach with one group pre test post test design was used for the study. 60 samples were selected using purposive sampling method. The present study was conducted in Justice K.S Hegde Charitable Hospital, Mangalore. The collected data were analyzed using descriptive and inferential statistics. Distribution of primipara mothers according to their level of knowledge showed that 49 (81.7%) had poor knowledge score [score range 0-12], 11(18.3%) had average knowledge [score range 13-25] and none of them had good knowledge [score range 26-37]. The Mean knowledge score in the pre-test was 7.96 which had increased after administration of the information booklet, with mean knowledge score in the post-test by 31.15. A significant difference between pre-test and post-test knowledge was found (t=28.945, P < 0.05) among the primi para mothers by providing an information booklet. There was significant association between the level of knowledge and demographic variables such as educational status, income and previous knowledge.
PULMONARY AGENESIS-GROUP I WITH UPAA DIAGNOSED IN ELDERLY GERIATRIC AGE
Authors: Sharma Raghav , Upadhyaya Vidya , Attar Nazir
Published: March 2020

Pulmonary agenesis and UPAA (unilateral pulmonary artery agenesis) is a rare developmental lung defect in which there is complete absence or hypoplasia of one or both lungs. It can be either isolated or associated with other congenital anomalies. The percentage of diagnosis of this condition during life has risen considerably, however it is true that more than 50% of the patients with this condition die in the first year of life. The symptoms and severity of this condition is often variable. Here with we present a male patient with left upper lobe pulmonary agenesis with left unilateral pulmonary artery agenesis (UPAA) which was detected and diagnosed for the first time at the ripe age of 70 years. Here we also review the relevant literature regarding the condition and the radiology including CT scan is described.
Semiclassical theories as initial value problems
Authors: Juárez-Aubry Benito A. , Miramontes Tonatiuh , Sudarsky Daniel
Published: March 2020

Motivated by the initial value problem in semiclassical gravity, we study the initial value problem of a system consisting of a quantum scalar field weakly interacting with a classical one. The quantum field obeys a Klein–Gordon equation with a potential proportional to the classical field. The classical field obeys an inhomogeneous Klein–Gordon equation sourced by the renormalized expectation value of the squared quantum field in a Hadamard state, ⟨Ψ|Φ2Ψ⟩. Thus, the system of equations for the scalar field is reminiscent of the semi-classical Einstein field equations with a Klein–Gordon field, where classical geometry is sourced by the renormalized stress-energy tensor of the quantum field, and the Klein–Gordon equation depends on the metric explicitly. We show that a unique asymptotic solution for the system can be obtained perturbatively at any fixed finite order in the weak coupling from initial data, provided that the interaction is switched on and off smoothly in a spacetime region to the future of the initial data surface. This allows one to provide “free” initial data for the decoupled system that guarantees that the Wightman function of the quantum field be of Hadamard form and hence that the renormalized ⟨Ψ|Φ2Ψ⟩ exist (in a perturbative sense) and be smooth. We comment on how to relax the switching of the interaction, which might be relevant for the corresponding problem in semiclassical gravity.
A high-repetition-rate, fast temperature-programmed gas chromatograph and its online coupling to a supercritical fluid chromatograph (SFC × GC)
Authors: Malan D. , van der Walt S. J. , Rohwer E. R.
Published: March 2020

We present a fast gas chromatographic system that can be used as a second dimension in comprehensive two-dimensional (supercritical fluid × gas) chromatography (SFC × GC). The temperature of the short (1 m long) capillary column is controlled by a resistively heated coaxial stainless-steel tube. The electrical resistance and, therefore, temperature of the stainless-steel tube are measured by continuous monitoring of the current/voltage ratio. Highly repeatable heating rates of up to 2100 °C min−1 (35 °C s−1) are obtained, which should be high enough for the most demanding fast chromatograms. To reduce the cooling time between temperature programs, the column is cooled by injecting evaporating carbon dioxide into the space between the coaxial heater and the column. This gives cooling rates of 5100 °C min−1 (85 °C s−1), which allows quick succession of temperature programs. More repeatable heating profiles with stable GC retention times together with faster cooling are significant improvements on previous SFC × GC systems. Cycle times of four gas chromatograms per minute could readily be achieved, which allows efficient coupling to high-resolution stop-flow SFC in the first dimension. We demonstrate the fast chromatograph by separating fatty acid methyl esters, yielding information that would be useful in the food and biodiesel industries.
Modeling the effects of sinusoidal stimulation and synaptic plasticity on linked neural oscillators
Authors: Eidum Derek M. , Henriquez Craig S.
Published: March 2020

The brain exhibits intrinsic oscillatory behavior, which plays a vital role in communication and information processing. Abnormalities in brain rhythms have been linked to numerous disorders, including depression and schizophrenia. Rhythmic electrical stimulation (e.g., transcranial magnetic stimulation and transcranial alternating current stimulation) has been used to modulate these oscillations and produce lasting changes in neural activity. In this computational study, we investigate the combined effects of sinusoidal stimulation and synaptic plasticity on model networks comprised of simple, tunable four-neuron oscillators. While not intended to model a specific brain circuit, this idealization was created to provide some intuition on how electrical modulation can induce plastic changes in the oscillatory state. Linked pairs of oscillators were stimulated with sinusoidal current, and their behavior was measured as a function of their intrinsic frequencies, inter-oscillator synaptic strengths, and stimulus strength and frequency. Under certain stimulus conditions, sinusoidal current can disrupt the network's natural firing patterns. Synaptic plasticity can induce weight imbalances that permanently change the characteristic firing behavior of the network. Grids of 100 oscillators with random frequencies were also subjected to a wide array of stimulus conditions. The characteristics of the post-stimulus network activity depend heavily on the stimulus frequency and amplitude as well as the initial strength of inter-oscillator connections. Synchronization arises at the network level from complex patterns of activity propagation, which are enhanced or disrupted by different stimuli. The findings may prove important to the design of novel neuromodulation treatments and techniques seeking to affect oscillatory activity in the brain.
Mechanism for vorticity in a secondary flow within a pipe: Vortex-induced vortex
Authors: Lin L. M. , Wu Y. X.
Published: March 2020

Vortex-induced vortex theory, commonly used for a flow past a disturbed bluff body, is applied in this paper to analyze an incompressible flow through a circular-section pipe with the occurrence of a secondary flow. The disturbed flow field is solved based on the Stokes equations by introducing a vortex or vortex pair uniformly distributed along the axial direction and periodically varying along the azimuthal direction as a result of the secondary flow with the assumption of inertial force being neglected and the viscous force being dominant in the vicinity of the pipe walls. Two kinds of boundary cases are considered to simulate the introduced vorticity distributed on and near the walls, and two sign laws for vorticity are also derived and verified for the present internal flow. For original pipe flow with a specific velocity distribution, such as a paraboloid of revolution at lower Reynolds numbers, these two sign laws are all positive upstream but negative downstream and they physically reveal the intrinsic relationships of the vorticity sign among different vorticity components, which are generated inherently with specific signs in secondary flows. Furthermore, two basic viscous force mechanisms are identified: a direct effect for vorticity generated on the walls due to shear flows and an indirect effect for vorticity induced by a vortex with former vorticity near the walls. Examples to demonstrate these two sign laws under geometric disturbances at a laminar Reynolds number of 200 and physical meaning are also presented briefly.
Collective mode Brownian dynamics: A method for fast relaxation of statistical ensembles
Authors: Silmore Kevin S. , Swan James W.
Published: March 2020

Sampling equilibrium configurations of correlated systems of particles with long relaxation times (e.g., polymeric solutions) using conventional molecular dynamics and Monte Carlo methods can be challenging. This is especially true for systems with complicated, extended bond network topologies and other interactions that make the use and design of specialized relaxation protocols infeasible. We introduce a method based on Brownian dynamics simulations that can reduce the computational time it takes to reach equilibrium and draw decorrelated samples. Importantly, the method is completely agnostic to the particle configuration and the specifics of interparticle forces. In particular, we develop a mobility matrix that excites non-local, collective motion of N particles and can be computed efficiently in O(N) time. Particle motion in this scheme is computed by integrating the overdamped Langevin equation with an Euler–Maruyama scheme, in which Brownian displacements are drawn efficiently using a low-rank representation of the mobility matrix in position and wave space. We demonstrate the efficacy of the method with various examples from the realm of soft condensed matter and release a massively parallel implementation of the code as a plugin for the open-source package HOOMD-blue [J. A. Anderson et al., J. Comput. Phys. 227, 5342 (2008) and J. Glaser et al., Comput. Phys. Commun. 192, 97 (2015)] which runs on graphics processing units
Controllable lateral growth and electrical properties of nonpolar ZnO nanowires
Authors: Xu Congkang , Li Yongkuan , Wang Jiangyong
Published: March 2020

The iodide interplay with polar Zn2+ and O2− induced nonpolar [101¯0] ZnO nanowires is fabricated via a simple vapor phase transport at a temperature of as low as 250 °C that is compatible with the nanodevice processing technique. As-fabricated nanowires exhibit single crystalline hexagonal wurtzite structures and grow along the [101¯0] direction instead of the conventional polar [0001] direction. The growth evolution can be explained by the synergy of the vapor–liquid–solid process and iodide direction-modulation. The electrical measurements demonstrate that the mobility of the PbI2-induced [101¯0] nanowires is significantly improved in comparison with that of the BiI3-modulated [112¯0] ones. These unique nonpolar nanowires are promising for improved high efficiency nanodevices.
The study of intermolecular energy transfer in a molecule-plasmon system: The effect of an electric charge
Authors: Jalilian Milad , Daneshfar Nader
Published: March 2020

In the present study, the transfer of energy between a pair of donor–acceptor molecules as point-like dipoles located nearby a plasmonic nanoparticle is investigated, in which an electric point charge is placed at a distance rq from the center of metallic nanoparticle or nanoshell. It is shown that the process of energy transfer between pairs of molecules is affected when an external point charge is placed next to the plasmonic nanoparticle. In addition to the contribution of the dipolar plasmon mode, the contribution of the quadrupolar and octupolar modes is taken into account because these plasmonic modes are more sensitive to changes; therefore, they can be used in sensing applications. The effect of the physical parameters of the system, such as the magnitude of the electric charge, the distance of the electric charge, the dielectric constant of the host medium, the distance of the donor molecule, and type of metal nanoparticle on the intermolecular energy transfer, is studied. However, we calculate and demonstrate that it is possible to use an electric point charge next to a hybrid plasmonic nanoparticle-molecular system to enhance the energy transfer from a donor molecule to an acceptor molecule.