bluuebunny/crossref_metadata_2025 huggingface dataset:
The Mn-catalyzed paired electrochemical facile oxychlorination of styrenes via the oxygen reduction reaction
Authors: Tian Siyu , Jia Xiaofei , Wang Ling , Li Baoying , Liu Siyuan , Ma Li , Gao Wei , Wei Yingqin , Chen Jianbin
Published: September 2019

Reported herein is the electrochemical engendering of chlorine radicals by a manganese catalyst with a controllable pattern, and inexpensive MgCl2 as the chlorine source.
Noncovalent phosphorylation of CoCr layered double hydroxide nanosheets with improved electrocatalytic activity for the oxygen evolution reaction
Authors: Chen Xiang , Wang Haonan , Xia Bin , Meng Ruru
Published: September 2019

Noncovalent phosphorylation of CoCr layered double hydroxide (LDH) was prepared by using P2O5 dissolved in isopropanol as a precursor, which showed improved catalytic activity for oxygen evolution reaction compared with pristine CoCr LDH.
Contrasting the hydration thermodynamics of methane and methanol
Authors: Graziano Giuseppe
Published: September 2019

The hydration thermodynamics of methane and methanol depend on the cavity creation work and energy of van der Waals and H-bonding attractions.
Calculation of vibrationally resolved absorption spectra of acenes and pyrene
Authors: Benkyi Isaac , Tapavicza Enrico , Fliegl Heike , Sundholm Dage
Published: September 2019

Absorption spectra of polycyclic aromatic hydrocarbons have been simulated by using a real-time generating function method that combines adiabatic electronic excitation energies with vibrational energies of the excited states.
A type-II C2N/α-Te van der Waals heterojunction with improved optical properties by external perturbation
Authors: Ma Zhuang , Wang Yusheng , Wei Yuting , Li Chong , Zhang Xiuwen , Wang Fei
Published: September 2019

The C2N/α-Te vdW heterojunction possessed a unique type-II band alignment, tunable band gap, improved optical absorption strength, and broad spectrum width (ultraviolet to near-infrared).
Synthesis of nanosized vanadium(v) oxide clusters below 10 nm
Authors: Lasserus Maximilian , Knez Daniel , Lackner Florian , Schnedlitz Martin , Messner Roman , Schennach Daniel , Kothleitner Gerald , Hofer Ferdinand , Hauser Andreas W. , Ernst Wolfgang E.
Published: September 2019

Vanadium oxide clusters with a mean diameter below 10 nm are created in helium droplets, and after deposition, studied by Scanning Transmission Electron Microscopy (STEM), Electron Energy Loss Spectroscopy (EELS) and UV-vis absorption spectroscopy.
In situ synthesis of FeP-decorated Ti–Fe2O3: an effective strategy to improve the interfacial charge transfer in the photoelectrochemical water oxidation reaction
Authors: Bu Qijing , Li Shuo , Wu Qiannan , Lin Yanhong , Wang Dejun , Zou Xiaoxin , Xie Tengfeng
Published: September 2019

The unprecedented FeP/Ti–Fe2O3 possesses the advantages of efficient charge transfer in the bulk photoanode and at the interface of the photoanode and the electrolyte.
Excellent selectivity for direct conversion of syngas to light olefins over a Mn–Ga oxide and SAPO-34 bifunctional catalyst
Authors: Zhang Peng , Meng Fanhui , Li Xiaojing , Yang Langlang , Ma Pengchuan , Li Zhong
Published: September 2019

A selectivity for light olefins of 88.3%, the highest to date, along with 13.7% CO conversion, was achieved over a bifunctional catalyst made up of Mn–Ga oxide and SAPO-34.
A phosphatized NiCo LDH 1D dendritic electrode for high energy asymmetric supercapacitors
Authors: Wang Guorong , Jin Zhiliang , Zhang Weixin
Published: September 2019

1D dendritic 4M-P@NiCo LDHs were synthesized by phosphatized Ni/Co hydroxide and exhibited high areal capacitance of 7 F cm−2 at 50 mA cm−2. Asymmetric supercapacitor obtained 18.1 Wh Kg−1 energy density and 77.17% (5000 cycles) capacity retention.
Effect of germination time on antioxidative activity and composition of yellow pea soluble free and polar soluble bound phenolic compounds
Authors: Xu Minwei , Jin Zhao , Ohm Jae-Bom , Schwarz Paul , Rao Jiajia , Chen Bingcan
Published: September 2019

This research aims to study antioxidative activities of polar solvent extractable phenolic compounds from yellow peas with different germination times against oil-in-water emulsion oxidation.
Development of multi-layered gastric floating tablets based on konjac glucomannan: a modified calcium supplement with enhanced bioavailability
Authors: Ai Tingyang , Shang Longchen , He Chen , Teng Yongxin , Ren Cong , Zhou Peiyuan , Wang Ling , Li Jing , Li Bin
Published: September 2019

This study developed a gastric-floating delivery system of calcium based on konjac glucomannan (KGM).
Characterization of a probiotic starter culture with anti-Candida activity for Chinese pickle fermentation
Authors: Rao Yu , Tao Yufei , Li Yalin , She Xiao , Yang Jiantao , Qian Yang , Du Hengjun , Liu Lei , Xiao Hang
Published: September 2019

A probiotic starter can be used for Chinese pickle fermentation and the resulting product may be a promising anti-Candida probiotic.
Identification and quantification of phytoprostanes and phytofurans of coffee and cocoa by- and co-products
Authors: Ruesgas-Ramón Mariana , Figueroa-Espinoza Maria Cruz , Durand Erwann , Suárez-Quiroz Mirna L. , González-Ríos Oscar , Rocher Amandine , Reversat Guillaume , Vercauteren Joseph , Oger Camille , Galano Jean-Marie , Durand Thierry , Vigor Claire
Published: September 2019

Phytoprostanes (PhytoPs) and phytofurans (PhytoFs) are isoprostanoids that result from the peroxidation of α-linolenic acid and are biomarkers of oxidative stress in plants and humans.
Bioavailability and bioactivity of free ellagic acid compared to pomegranate juice
Authors: Long Jianfeng , Guo Yuanqiang , Yang Jieping , Henning Susanne M. , Lee Ru-Po , Rasmussen Anna , Zhang Lijun , Lu Qing-Yi , Heber David , Li Zhaoping
Published: September 2019

8 oz PomJ and 500 mg EA have similar EA bioavailability and UA production, but PomJ has higher EA phase II metabolism compared to EA. PomJ but not EA decreases blood MCP1.
Reductive catalytic fractionation of black locust bark
Authors: Vangeel T. , Renders T. , Van Aelst K. , Cooreman E. , Van den Bosch S. , Van den Bossche G. , Koelewijn S.-F. , Courtin C. M. , Sels B. F.
Published: September 2019

During reductive catalytic fractionation of black locust bark, lignin and suberin are simultaneously depolymerized and stabilized. This results in low MW phenolics and long-chain, α,ω-bifunctional aliphatics.
Niobium oxide prepared through a novel supercritical-CO2-assisted method as a highly active heterogeneous catalyst for the synthesis of azoxybenzene from aniline
Authors: Tao Yehan , Singh Bhawan , Jindal Vanshika , Tang Zhenchen , Pescarmona Paolo P.
Published: September 2019

High-surface area Nb2O5 nanoparticles synthesised by a novel supercritical-CO2-assisted method displayed extremely high activity as heterogeneous catalyst in the oxidative coupling of aniline to azoxybenzene using the green oxidant H2O2.
Recent advances in manipulation of micro- and nano-objects with magnetic fields at small scales
Authors: Cao Quanliang , Fan Qi , Chen Qi , Liu Chunting , Han Xiaotao , Li Liang
Published: September 2019

Magnetic manipulation is very promising for the motion control of micro- and nano-objects, which has wide applications in the mixing, trapping, colloidal assembly and object transport, and the recent progress in these areas is reviewed in this work.
The role of traps in the photocurrent generation mechanism in thin InSe photodetectors
Authors: Zhao Qinghua , Wang Wei , Carrascoso-Plana Felix , Jie Wanqi , Wang Tao , Castellanos-Gomez Andres , Frisenda Riccardo
Published: September 2019

Due to the excellent electrical transport properties and optoelectronic performance, thin indium selenide (InSe) has recently attracted attention in the field of 2D semiconducting materials.
Designing conjugated porous polymers for visible light-driven photocatalytic chemical transformations
Authors: Byun Jeehye , Zhang Kai A. I.
Published: September 2019

A review on the recent developments in controlling the structural, photophysical and electronic properties of conjugated porous polymer (CPP) photocatalysts is presented.
Anomalous polarization switching and permanent retention in a ferroelectric ionic conductor
Authors: Zhou Shuang , You Lu , Chaturvedi Apoorva , Morris Samuel A. , Herrin Jason S. , Zhang Na , Abdelsamie Amr , Hu Yuzhong , Chen Jieqiong , Zhou Yang , Dong Shuai , Wang Junling
Published: September 2019

Ionic conduction in a ferroelectric leads to anomalous polarization switching kinetics but prevents retention failure.
Stability of cubic tin sulphide nanocrystals: role of ammonium chloride surfactant headgroups
Authors: Abutbul Ran E. , Segev Elad , Argaman Uri , Tegze Anna , Makov Guy , Golan Yuval
Published: September 2019

Ammonium chloride ligands reduce surface energies, bind preferably to the cubic π-phase and destabilize the orthorhombic phase of SnS.
Biosynthesized silver nanorings as a highly efficient and selective electrocatalysts for CO2 reduction
Authors: Pan Yani , Paschoalino Waldemir J. , Bayram Serene S. , Blum Amy Szuchmacher , Mauzeroll Janine
Published: September 2019

Numerous amino acids on protein effectively enhance the reaction activity and selectivity for CO2 electroreduction to CO.
Electronic stripes and transport properties in borophene heterostructures
Authors: Silvestre G. H. , Scopel Wanderlã L. , Miwa R. H.
Published: September 2019

(Left) Localization of the electronic states near the Fermi level, and the electronic band structure projected on the S1 and S2 stripes. (Right) Transmission probabilites parallel (y) and perpendicular (x) to the S1/S2 borophene superlattice.
A chitosan-based fluorescent hydrogel for selective detection of Fe2+ ions in gel-to-sol mode and turn-off fluorescence mode
Authors: Fan Kaiqi , Wang Xiaobo , Yu Shuyan , Han Guanglu , Xu Die , Zhou Liming , Song Jian
Published: September 2019

A novel chitosan-based fluorescent hydrogel has been synthesized by chemically bonding terpyridine-bearing aldehydes onto chitosan via an acid condensation reaction.
A new cluster-based chalcogenide zeolite analogue with a large inter-cluster bridging angle
Authors: Wu Zhou , Wang Xiao-Li , Hu Dandan , Wu Sijie , Liu Chengdong , Wang Xiang , Zhou Rui , Li Dong-Sheng , Wu Tao
Published: September 2019

A new cluster-based chalcogenide zeolite analogue with a large inter-cluster bridging angle.
Ultrasensitive detection of aqueous Cu2+ ions by a coumarin-salicylidene based AIEgen
Authors: Padhan Subrata Kumar , Murmu Narayan , Mahapatra Subrat , Dalai M. K. , Sahu Satya Narayan
Published: September 2019

This work reports the aggregation induced emission (AIE) behaviour of a coumarin-salicylidene Schiff base probe 3 which demonstrates ultrasensitive detection of aqueous Cu2+ ions in nanomolar range via a fluorescence “on–off” strategy.
Size engineering optoelectronic features of C, Si and CSi hybrid diamond-shaped quantum dots
Authors: Ouarrad H. , Ramadan F.-Z. , Drissi L. B.
Published: September 2019

Based on the density functional theory and many-body ab initio calculations, we investigate the optoelectronic properties of diamond-shaped quantum dots based graphene, silicene and graphene–silicene hybrid.
Design of ultrathin hybrid membranes with improved retention efficiency of molecular dyes
Authors: Liu Peng , Milletto Charles , Monti Susanna , Zhu Chuantao , Mathew Aji P.
Published: September 2019

Nanocellulose–graphene oxide ultrathin coatings for water purification membranes with excellent swelling resistance, permeability and dyes retention are presented.
A silicon-based quantum dot random laser
Authors: Xu Zhiyang , Zhang Hao , Chen Chao , Aziz Gohar , Zhang Jie , Zhang Xiaoxia , Deng Jinxiang , Zhai Tianrui , Zhang Xinping
Published: September 2019

A silicon-based quantum dot random laser fabricated by a metal-assisted chemical etching method.
Photocatalytic primary alcohol oxidation on WO3 nanoplatelets
Authors: McDonald Kori D. , Bartlett Bart M.
Published: September 2019

With the aid of direct heating through microwave irradiation in non-aqueous media, nanocrystalline tungsten(vi) oxide is achievable in 30 minutes at 200 °C, faster and at a lower temperature than conventional synthesis methods.
A coumarin–dihydroperimidine dye as a fluorescent chemosensor for hypochlorite in 99% water
Authors: Shiraishi Yasuhiro , Yamada Chiharu , Hirai Takayuki
Published: September 2019

A coumarin–dihydroperimidine dye exhibits strong blue fluorescence by OCl−-selective dehydrogenation of the dihydroperimidine unit, and facilitates selective and sensitive fluorometric detection of OCl− in 99% water.
Nitrogen donor ligand for capping ZnS quantum dots: a quantum chemical and toxicological insight
Authors: Pandey Vivek , Tripathi Vinay Kumar , Singh Keshav Kumar , Bhatia Tejasvi , Upadhyay Nitesh Kumar , Goyal Bela , Pandey Gajanan , Hwang Inho , Tandon Poonam
Published: September 2019

Nanoparticles having strong optical and electronic properties are the most widely used materials in sensor development.
Hydrocinnamic acid produced byEnterobacter xiangfangensisimpairs AHL-based quorum sensing and biofilm formation inPseudomonas aeruginosa
Authors: Sharma Shivangi , Gopu Venkadesaperumal , Sivasankar Chandran , Shetty Prathapkumar Halady
Published: September 2019

Hydrocinnamic acid interacts with LasR receptor averts the autoinducer biding to modulate the expression of quorum sensing mediated phenotypes that strengthens the speculation of hydrocinnamic acid acts as a competitive inhibitor for autoinducer molecule.
Development of a novel anti-tumor theranostic platform: a near-infrared molecular upconversion sensitizer for deep-seated cancer photodynamic therapy
Authors: Tian Ruisong , Sun Wen , Li Mingle , Long Saran , Li Miao , Fan Jiangli , Guo Lianying , Peng Xiaojun
Published: September 2019

Upconversion-based photon-initiated therapeutic modalities, photodynamic therapy (PDT) in particular, have shown significant clinical potential in deep-seated tumor treatment.
Mechanical properties of cellulose aerogels and cryogels
Authors: Buchtová Nela , Pradille Christophe , Bouvard Jean-Luc , Budtova Tatiana
Published: September 2019

Compressive modulus of highly porous and lightweight cellulose materials prepared via dissolution–coagulation and different drying routes.
Self-assembly of spiral patterns in confined systems with competing interactions
Authors: Pȩkalski J. , Bildanau E. , Ciach A.
Published: September 2019

Particles self-assembling into stripe patterns on flat surfaces can form spirals with controlled chirality when a small obstacle is attached to a vertex of a hexagonal boundary.
Shape segregation in molecular organisation: a combined X-ray scattering and molecular dynamics study of smectic liquid crystals
Authors: Sims Mark T. , Abbott Laurence C. , Goodby John W. , Moore John N.
Published: September 2019

The addition of a t-Bu group to a mesogen results in significantly enhanced layer formation, attributed to a shape-segregation effect.
Ultrahigh energy-storage density in A-/B-site co-doped AgNbO3 lead-free antiferroelectric ceramics: insight into the origin of antiferroelectricity
Authors: Han Kai , Luo Nengneng , Mao Shuaifei , Zhuo Fangping , Liu Laijun , Peng Biaolin , Chen Xiyong , Hu Changzheng , Zhou Huanfu , Wei Yuezhou
Published: September 2019

An ultrahigh energy storage density up to 4.87 J cm−3 was achieved in Sm/Ta co-doped AgNbO3 ceramics, by decreasing the cation displacement and [Nb/TaO6] octahedral tilting angle.
Highly efficient planar perovskite solar cells via acid-assisted surface passivation
Authors: Zhang Xin , Shi Zejiao , Lu Haizhou , Li Xiaoguo , Wang Haoliang , Yuan Sijian , Liu Fengcai , Pan Yiyi , Weng Zhenhua , Zhang Haijuan , Cui Xiaolei , Liu Qi , Li Chongyuan , Umar Akrajas Ali , Wang Jiao , Hang Xiao-Chun , Sun Zhengyi , Zhan Yiqiang
Published: September 2019

A facile acetic acid modification is introduced to passivate the defects at the SnO2/perovskite interface, thus improving the device performance.
MXene-engineered lithium–sulfur batteries
Authors: Xiao Zhubing , Li Zhonglin , Meng Xueping , Wang Ruihu
Published: September 2019

The applications of MXene-based materials in cathodes, anodes and separators of lithium–sulfur batteries have been summarized, and their superiority for suppressing polysulfide shuttling and improving sulfur utilization has been demonstrated.
Infrared micro-detectors with high sensitivity and high response speed using VO2-coated helical carbon nanocoils
Authors: Ma He , Zhang Xinping , Zhang Zhichao , Wang Yu , Wang Guang , Liu Feifei , Cui Ruixue , Huang Cuiying , Wang Meng , Wei Yang , Jiang Kaili , Pan Lujun , Liu Kai
Published: September 2019

Micro-bolometers based on VO2and carbon nanocoils are developed in this work. The photoresponse of the micro-bolometer is greatly enhanced by the helical structure of the device.
Comment on “Acetylcysteine in paracetamol poisoning: a perspective of 45 years of use” by D. N. Bateman and J. W. Dear, Toxicol. Res., 2019, 8, 489
Authors: Mullins Michael E. , Yarema Mark C. , Sivilotti Marco L. A. , Thompson Margaret , Algren D. Adam , Beuhler Michael C. , Holstege Christopher P.
Published: September 2019

We point out an acetylcysteine protocol that a previous article (D. N. Bateman and J. W. Dear, Toxicol. Res., 2019, 8, 489–498) overlooked. The standard concentration protocol uses a uniform concentration of 30 mg mL−1 for all patients to reduce errors in preparation and administration. Usually a single 1 L bag is sufficient for most patients. Various centers in the US and Canada use this approach.
Combination of preoperative fibrinogen and neutrophil to lymphocyte ratio is a predictive prognostic factor in ESCC and AEG systematic review
Authors: Tianxing Guo , Xiaojie Pan , Lihuan Zhu , Yangyun Huang
Published: September 2019

Objective: Cancer-associated systemic inflammation response and hyperfibrinogenemia play crucial roles in cancer progression and prognosis. In the present study, we assessed the clinical value of the preoperative fibrinogen and the neutrophil to lymphocyte ratio (NLR) in patients with esophageal squamous cell carcinoma (ESCC) and adenocarcinoma of the esophagogastric junction (AEG).

Methods: Three hundred and fifty-six patients who underwent curative surgery were retrospectively analyzed. Univariate and Multivariate Cox analyses were performed to evaluate the prognostic indicators for overall survival (OS). The optimization cut-off values for fibrinogen and the NLR were 3.09 g/l and 1.89, respectively. The fibrinogen and the NLR (F-NLR) index was 2 for patients with high fibrinogen (≥3.09 g/l) and elevated NLR (≥1.89), whereas those with one or neither were indexed as 1 or 0, respectively.

Results: The F-NLR score was significantly associated with tumor size (P<0.001), and pathological stage (P=0.010). The 5-year OS rates in F-NLR groups 0, 1 and 2 were 69.1, 42.6, and 31.9%, respectively (P<0.001). Multivariate analysis showed that the tumor size (P<0.001), pathological stage (P<0.001), and F-NLR (P<0.001) were independent prognostic factors for OS. Conclusions: The preoperative F-NLR score is an independent prognosis indicator for patients with ESCC and AEG.
Characterising the surface magnetic fields of T Tauri stars with high-resolution near-infrared spectroscopy
Authors: Lavail A. , Kochukhov O. , Hussain G. A. J.
Published: September 2019

Aims. In this paper, we aim to characterise the surface magnetic fields of a sample of eight T Tauri stars from high-resolution near-infrared spectroscopy. Some stars in our sample are known to be magnetic from previous spectroscopic or spectropolarimetric studies. Our goals are firstly to apply Zeeman broadening modelling to T Tauri stars with high-resolution data, secondly to expand the sample of stars with measured surface magnetic field strengths, thirdly to investigate possible rotational or long-term magnetic variability by comparing spectral time series of given targets, and fourthly to compare the magnetic field modulus ⟨B⟩ tracing small-scale magnetic fields to those of large-scale magnetic fields derived by Stokes V Zeeman Doppler Imaging (ZDI) studies.

Methods. We modelled the Zeeman broadening of magnetically sensitive spectral lines in the near-infrared K-band from high-resolution spectra by using magnetic spectrum synthesis based on realistic model atmospheres and by using different descriptions of the surface magnetic field. We developped a Bayesian framework that selects the complexity of the magnetic field prescription based on the information contained in the data.

Results. We obtain individual magnetic field measurements for each star in our sample using four different models. We find that the Bayesian Model 4 performs best in the range of magnetic fields measured on the sample (from 1.5 kG to 4.4 kG). We do not detect a strong rotational variation of ⟨B⟩ with a mean peak-to-peak variation of 0.3 kG. Our confidence intervals are of the same order of magnitude, which suggests that the Zeeman broadening is produced by a small-scale magnetic field homogeneously distributed over stellar surfaces. A comparison of our results with mean large-scale magnetic field measurements from Stokes V ZDI show different fractions of mean field strength being recovered, from 25–42% for relatively simple poloidal axisymmetric field topologies to 2–11% for more complex fields.
Carbon, oxygen, and iron abundances in disk and halo stars
Authors: Amarsi A. M. , Nissen P. E. , Skúladóttir Á.
Published: September 2019

The abundances of carbon, oxygen, and iron in late-type stars are important parameters in exoplanetary and stellar physics, as well as key tracers of stellar populations and Galactic chemical evolution. However, standard spectroscopic abundance analyses can be prone to severe systematic errors, based on the assumption that the stellar atmosphere is one-dimensional (1D) and hydrostatic, and by ignoring departures from local thermodynamic equilibrium (LTE). In order to address this, we carried out three-dimensional (3D) non-LTE radiative transfer calculations for C I and O I, and 3D LTE radiative transfer calculations for Fe II, across the STAGGER-grid of 3D hydrodynamic model atmospheres. The absolute 3D non-LTE versus 1D LTE abundance corrections can be as severe as − 0.3 dex for C I lines in low-metallicity F dwarfs, and − 0.6 dex for O I lines in high-metallicity F dwarfs. The 3D LTE versus 1D LTE abundance corrections for Fe II lines are less severe, typically less than + 0.15 dex. We used the corrections in a re-analysis of carbon, oxygen, and iron in 187 F and G dwarfs in the Galactic disk and halo. Applying the differential 3D non-LTE corrections to 1D LTE abundances visibly reduces the scatter in the abundance plots. The thick disk and high-α halo population rise in carbon and oxygen with decreasing metallicity, and reach a maximum of [C/Fe] ≈ 0.2 and a plateau of [O/Fe] ≈ 0.6 at [Fe/H] ≈ −1.0. The low-α halo population is qualitatively similar, albeit offset towards lower metallicities and with larger scatter. Nevertheless, these populations overlap in the [C/O] versus [O/H] plane, decreasing to a plateau of [C/O] ≈ −0.6 below [O/H] ≈ −1.0. In the thin-disk, stars having confirmed planet detections tend to have higher values of C∕O at given [O/H]; this potential signature of planet formation is only apparent after applying the abundance corrections to the 1D LTE results. Our grids of line-by-line abundance corrections are publicly available and can be readily used to improve the accuracy of spectroscopic analyses of late-type stars.
A three-agent scheduling problem for minimizing the flow time on two machines
Authors: Lee Wen-Chiung , Wang Jen-Ya
Published: September 2019

This study introduces a two-machine three-agent scheduling problem. We aim to minimize the total tardiness of jobs from agent 1 subject to that the maximum completion time of jobs from agent 2 cannot exceed a given limit and that two maintenance activities from agent 3 must be conducted within two maintenance windows. Due to the NP-hardness of this problem, a genetic algorithm (named GA+) is proposed to obtain approximate solutions. On the other hand, a branch-and-bound algorithm (named B&B) is developed to generate the optimal solutions. When the problem size is small, we use B&B to verify the solution quality of GA+. When the number of jobs is large, a relative deviation is proposed to show the gap between GA+ and another ordinary genetic algorithm. Experimental results show that the proposed genetic algorithm can generate approximate solutions by consuming reasonable execution time.
Die lumbale Diskushernie bei Sportlern
Authors: Betz Michael
Published: September 2019

Diskushernien bei jungen aktiven Patienten, Sportlern und insbesondere
professionellen Athleten stellen die behandelnden Physiotherapeuten und
Orthopäden vor eine große Herausforderung. Spitzensportler sehen durch die
Erkrankung die persönliche Karriere gefährdet. Folgender Artikel soll einen
Überblick über die aktuelle Studienlage zur Behandlung von Diskushernien in
dieser anspruchsvollen Patientengruppe geben.
Clinical Utilization of Pharmacogenetics in Psychiatry –
Perspectives of Pharmacists, Genetic Counselors, Implementation Science,
Clinicians, and Industry
Authors: Brown Lisa , Eum Seenae , Haga Susanne B. , Strawn Jeffrey R. , Zierhut Heather
Published: September 2019

Introduction The use of pharmacogenomic (PGx) testing to guide decisions
and improve patient outcomes has increased in recent years. PGx testing
represents a decision support tool that may inform dosing, increase the
likelihood of treatment response, and identify patients at risk for medication
side effects.

Methods This is a narrative review of utilization of PGx testing in
psychiatry from stakeholders including, pharmacists, genetic counselors,
implementation scientists, industry, and clinicians.

Results While many limitations exist to streamline use of PGx testing in
psychiatry, various stakeholders are crucial to clinical implementation.

Discussion PGx testing can assist in medication selection and improve
patient outcomes; however, more data are needed to understand when and how to
incorporate PGx testing into psychiatric practice.
Cytotoxic Activity of LCS-1 is not Only due to Inhibition of SOD1
Authors: Steverding Dietmar , Barcelos Yzobelle
Published: September 2019

Background The cytotoxic activity of the pyridazin-3-one derivative LCS-1 was previously suggested to be due to the inhibition of superoxide dismutase 1 (SOD1). However, no direct evidence was provided that LCS-1 inhibits SOD1 within cells.

Methods In this study, we investigated the cytotoxic activity of LCS-1 against bloodstream forms of Trypanosoma brucei, a protozoan parasite that does not express copper/zinc-containing SOD1, but an iron-containing superoxide dismutase (FeSOD).

Results At 250 µM, LCS-1 did not inhibit the activity of FeSOD in cell lysates of bloodstream forms of T. brucei, confirming that the compound is a specific inhibitor of SOD1. However, LCS-1 displayed substantial trypanocidal activity with a minimum inhibitory concentration of 10 µM and a half-maximal effective concentration of 1.36 µM, indicating that the cytotoxic action of the compound cannot solely be due to inhibition of SOD1.

Conclusion The results of this study is an important finding as it shows that LCS-1 has more than one cytotoxic mode of action.
Fracture Resistance of Immature Incisors Following Root Filling with Various Bioactive Endodontic Cements Using an Experimental Bovine Tooth Model
Authors: Sarraf Pegah , Nekoofar Mohammad Hossein , Sheykhrezae Mohammad Saeed , Dummer Paul M. H.
Published: September 2019

Objective The aim of this study was to compare the fracture resistance of immature bovine roots when using ProRoot MTA, CEM Cement, and Biodentine as root filling materials.

Materials and Methods An immature bovine tooth model was developed by removing the coronal and apical portions of 70 bovine incisors 8 mm above and 12 mm below the cementoenamel junction (CEJ). The specimens were then divided into five groups: ProRoot MTA, CEM Cement, Biodentine, gutta-percha/AH26 sealer, and control. All groups received a 5-mm apical plug with a temporary restorative material. Then, the remaining root canal space was filled with one of the afore-mentioned materials. After setting, the specimens were mounted in acrylic resin. Then, 3 mm coronal to the CEJ from the buccal side of the teeth and at a 135°angle to the long axis, the specimens were loaded until fracture.

Results The specimens in the Biodentine (2196 N) and ProRoot MTA (2103 N) groups had significantly greater fracture resistance in comparison to the control group (p = 0.01). No significant difference was found between CEM Cement, gutta-percha and sealer AH26, and control groups. No significant differences occurred between the four experimental groups (p = 0.45).

Conclusion Filling the root canal space with ProRoot MTA and Biodentine contributed to higher fracture resistance values.
Providing Access: Differences in Pediatric Portal Activation Begin at Patient Check-in
Authors: Bush Ruth A. , Vemulakonda Vijaya M. , Richardson Andrew C. , Deakyne Davies Sara J. , Chiang George J.
Published: September 2019

Background The patient portal interface with individual electronic health records (EHR) was introduced as a tool to enhance participatory medicine. Recent studies suggest adults from racial and ethnic minorities as well as non-English speakers face disproportionate barriers to adoption; however, little data are available for pediatric patients.

Objective The purpose of this study was to examine patient portal offers and activation patterns among pediatric urology patients at two geographically diverse tertiary pediatric hospitals.

Methods Retrospective analysis of 2011 to 2016 electronic portal audit records was conducted among patients aged 18 and younger with at least one outpatient urology clinic visit at two tertiary academic pediatric hospitals and their affiliated networks. Differences in utilization among parents/caregivers and adolescents were examined using multivariate analysis.

Results Of 44,608 individuals seen in a participating urology department during the study period, 21,815 (48.9%) were offered a code for patient portal activation; of these, 8,605 (19.3% of total eligible individuals) activated portal access. Logistic regression demonstrated associations between an offer and site (p < 0.001), being female (p < 0.001), being Asian or white (p < 0.05), being non-Hispanic (p < 0.001), and reporting English as preferred language (p < 0.001). Activating patient portal access was associated with site (p < 0.001), being Asian or white (p < 0.001), and reporting English as preferred language (p < 0.001).

Conclusion This study found that demographic variations in portal began with demographic differences in which patients were offered an activation code. Fewer than half of those given an access code activated their account. Preferred language, race/ethnicity, and clinic location were associated with likelihood of portal activation. Although patients are increasingly expected to schedule appointments, manage correspondence, request prescription refills, obtain authorizations and referrals, and communicate with the medical team using the portal, this study suggests that in the pediatric specialty setting many patients and caregivers are not offered the opportunity to access these tools.
Full-dimensional theoretical description of vibrationally resolved valence-shell photoionization of H2O
Authors: Engin Selma , González-Vázquez Jesús , Maliyar Gianluigi Grimaldi , Milosavljević Aleksandar R. , Ono Taishi , Nandi Saikat , Iablonskyi Denys , Kooser Kuno , Bozek John D. , Decleva Piero , Kukk Edwin , Ueda Kiyoshi , Martín Fernando
Published: September 2019

We have performed a full-dimensional theoretical study of vibrationally resolved photoelectron emission from the valence shell of the water molecule by using an extension of the static-exchange density functional theory that accounts for ionization as well as for vibrational motion in the symmetric stretching, antisymmetric stretching, and bending modes. At variance with previous studies performed in centrosymmetric molecules, where vibrationally resolved spectra are mostly dominated by the symmetric stretching mode, in the present case, all three modes contribute to the calculated spectra, including intermode couplings. We have found that diffraction of the ejected electron by the various atomic centers is barely visible in the ratios between vibrationally resolved photoelectron spectra corresponding to different vibrational states of the remaining H2O+ cation (the so-called v-ratios), in contrast to the prominent oscillations observed in K-shell ionization of centrosymmetric molecules, including those that only contain hydrogen atoms around the central atoms, e.g., CH4. To validate the conclusions of our work, we have carried out synchrotron radiation experiments at the SOLEIL synchrotron and determined photoelectron spectra and v-ratios for H2O in a wide range of photon energies, from threshold up to 150 eV. The agreement with the theoretical predictions is good.
Magnetotransport and superconductivity in InBi films grown on Si(111) by molecular beam epitaxy
Authors: Dang Phillip , Rouvimov Sergei , Xing Huili Grace , Jena Debdeep
Published: September 2019

Bismuth-containing compounds inherit the high spin-orbit coupling and bandgap bowing effects of the Bi atom. Here, we report the growth of InBi films using molecular beam epitaxy. By growing in a Bi-rich regime, we obtain coalesced and crystalline films with a sharp interface to the high-resistivity Si(111) substrate. Temperature-dependent transport and resistivity measurements exhibit a nonlinear Hall effect and parabolic magnetoresistance, suggesting two-carrier semimetallic behavior. In In-rich films, metallic temperature-dependent resistivity is observed. In Bi-rich films, we observed semiconductorlike temperature-dependent resistivity as well as superconductivity.
Coincidence of the freezing and the onset of caging in hard sphere and Lennard-Jones fluids
Authors: Ruiz-Franco J. , Zaccarelli E. , Schöpe H. J. , van Megen W.
Published: September 2019

In this article, we examine the collective particle dynamics, as expressed by the time correlation function of the longitudinal particle current density, of several different fluids in the vicinity of their freezing points/lines. We consider and compare results obtained by dynamic light scattering for a suspension of hard spheres and by molecular dynamics for fluids with hard sphere and Lennard-Jones interactions. The latter are performed along both an isotherm and an isochore. In all cases, we find a qualitative change in the collective dynamics, within the resolution of the data, when their respective freezing lines are crossed. We associate this change with the onset of caging. The new results for the Lennard-Jones fluid reported here confirm that the occurrence of caging, found previously for systems of hard spheres, is a more general feature that distinguishes a metastable fluid from one in thermodynamic equilibrium.
Electron-beam enhanced creep deformation of amorphous silicon nano-cantilever
Authors: Hirakata Hiroyuki , Konishi Kenta , Kondo Toshiyuki , Minoshima Kohji
Published: September 2019

To investigate the creep properties of amorphous silicon (a-Si) nanocantilevers and the effects of electron beam (EB) irradiation on those properties, we performed creep bending experiments with and without EB irradiation using field emission scanning electron microscopy at room temperature. Approximately 220 nm-thick a-Si nanocantilevers were fabricated with controlled shape and size by substrate shape-assisted glancing angle deposition. The results showed that EB irradiation increased fracture strength and greatly enhanced creep deformation of a-Si nanocantilevers. Under EB irradiation, a-Si nanocantilevers showed continuous creep behavior consisting of transition, steady-state, and redeceleration regions, while creep deformation was brought about with intermittent displacement bursts under nonirradiation. EB irradiation resulted in the decrease of the creep exponent n, from n=5.55 under nonirradiation to n=2.46 under EB irradiation, indicating a change in the creep mechanism. Creep resistance was restored by halting EB irradiation, which indicates that the change in creep properties was only temporary. This suggests that the mechanical properties of a-Si nanostructures, such as creep characteristics, can be temporarily altered by EB irradiation.
Electronic energy model for single Shockley stacking fault formation in 4H-SiC crystals
Authors: Iijima A. , Kimoto T.
Published: September 2019

The expansion/contraction behavior of single Shockley-type stacking faults (1SSFs) in 4H-SiC crystals is investigated by using an electronic energy model. The model takes into account several factors that were not considered in the previous models and provides a guideline to understand the 1SSF behavior. The authors calculated the threshold excess carrier density, which is the critical excess carrier density for the expansion/contraction of a 1SSF, for two models: with and without carrier recombination at a 1SSF. In the case of the model without carrier recombination, the obtained threshold excess carrier density at room temperature was at least 1×1017cm−3. On the other hand, the threshold excess carrier density at room temperature given by the model with carrier recombination was in the range of 2×1014 to 2×1016cm−3, which shows good agreement with the previous experimental results quantitatively. The authors also discuss the temperature-, doping-concentration-, and conduction-type-dependences of the threshold excess carrier density. The calculated doping-concentration- and conduction-type-dependences of the threshold excess carrier density imply that the 1SSF expansion easily occurs in the heavily-doped crystals, and n-type 4H-SiC is slightly less tolerant against bipolar degradation than the p-type one.
In situ dynamic transmission electron microscopy characterization of liquid-mediated crystallization of amorphous Ge
Authors: Egan G. , Rahn T. T. , Rise A. J. , Cheng H.-Y. , Raoux S. , Campbell G. H. , Santala M. K.
Published: September 2019

Crystal growth rates during laser-induced, liquid-mediated crystallization of amorphous Ge were measured with movie-mode dynamic transmission electron microscopy (MM-DTEM), a photoemission microscopy technique with nanosecond-scale time resolution. Films of 50-nm thick amorphous Ge were crystallized using a 12-ns laser pulse with a Gaussian spatial profile, which established high local temperature gradients in the specimen. Crystallization proceeded by the formation of a central zone with a high nucleation rate (zone I), followed by liquid-mediated outward growth of columnar grains (zone II), followed by spiraling growth (zone III) until the crystallization halted in cooler parts of the specimen. Zone II growth was imaged for several laser pulse energies with 20-ns electron pulses with 95 ns between frames. A thin liquid layer between the solid amorphous phase and the advancing crystallization front during zone II growth was imaged. The zone II growth rate for each experiment remained nearly constant although the crystallization front passes through a large temperature gradient. Measured growth rates ranged from 5.7 to 13.6 m/s, consistent with transient liquid layer mediated growth rather than solid-state growth. In contrast with a previous report, the growth rate did not increase systematically with laser energy or absorbed energy. The new results, together with previously reported data, suggest that both sets of experiments were conducted under conditions where the growth rate saturates near its maximum value. A phenomenological model based on the concept of upper and lower threshold temperatures for the zone II growth was fitted to the data from these experiments and previous MM-DTEM crystallization experiments.
Mechanism of stimulated Mie scattering: Light-induced redistribution of self-assembled nanospheres of two-photon absorbing chromophore
Authors: He Guang S. , Hu Wenbo , Baev Alexander , Kannan Ramamurthi , Tan Loon-Seng , Prasad Paras N.
Published: September 2019

We report the observation of backward stimulated Mie scattering (SMS) due to light-field induced spatial redistribution of self-assembled nanospheres of a two-photon resonant organic chromophore in water, pumped by ∼10-ns laser pulses of ∼816-nm wavelength. The pump-energy threshold for generating backward stimulated scattering in such a system is remarkably lower than that in pure water. The gain of backscattering originates from an induced Bragg grating that reflects partial energy from the pump beam into the backward Mie scattering beam. Based on the experimental fact that the time-delay of the SMS pulse onset depends on both the pump level and the viscosity of the solvent, a physical model of SMS generation is proposed. Our experimental results have shown that the major contribution to the formation of an induced Bragg grating is spatial redistribution of nanoparticles suspended in the liquid. These nanoparticles are driven by a force that is proportional to the intensity gradient of the standing-wave field resulting from interference between the forward pump beam and the backward Mie scattering beam. When the nanoparticle motion is frozen in a gel-like medium, no SMS is observed, which experimentally supports the validity of the proposed physical model.
Carbon Dioxide Activation by a Palladium Terminal Imido Complex
Authors: Goodner Stephen J. , Grünwald Annette , Heinemann Frank W. , Munz Dominik
Published: September 2019

We recently reported the first example of a palladium(ii) terminal imido complex. We proposed that this complex features exceptional high nucleophilicity at the nitrogen atom and a peculiar zwitterionic electronic structure with an anti-bonding highest-occupied molecular orbital (HOMO). This complex swiftly activated moderately acidic CH, OH, and NH bonds and also reacted with dihydrogen. However, unambiguous nucleophilic reactivity with substrates not featuring a hydrogen atom could not be observed. Herein, we now show that this nucleophilic complex also reacts with CO2 to give a ring-strained four-membered palladium(ii) carbamate complex. Remarkably, the same product is obtained in the reaction of the related bisamido complex, albeit at a slower reaction rate. Density functional theory calculations indicate that the addition of CO2 does not proceed via initial 1,2-addition across the Pd–N bond, but instead through nucleophilic attack by the imido (amido respectively) nitrogen atom.
Data quality improvement for field-portable gas chromatography-mass spectrometry through the use of isotopic analogues for in-situ calibration
Authors: Qualley Anthony , Hughes Geoffrey T. , Rubenstein Mitchell H.
Published: September 2019

Environmental contextQuantitative field-based sampling of airborne volatile organics continues to be a challenge because of the absence of laboratory supplies and facilities. Approaches are required to overcome poor data arising from difficulties with calibration of fielded instruments. This method normalises responses across portable thermal desorption gas-chromatography mass spectrometers and requires no advance calibration, enabling accurate and precise use of previously established response factors ported from the laboratory to fielded instruments.
AbstractSorbent capture provides a process for collecting airborne volatile organic compounds (VOCs) for analysis by thermal desorption gas chromatography-mass spectrometry (TD-GC-MS). Under typical laboratory conditions, analytical standards are readily available and calibration of instrumentation is a routine process. In contrast, field-portable instruments are standardised using a representative curve prepared on a limited number of instruments and then applied to fielded units. The performance of field-portable TD-GC-MS systems when deployed to multiple remote sites was studied, and a large variability in sensitivity and performance was observed when using the manufacturer-prescribed methods for calibration of instruments and normalisation of the data. This variability was remedied by the implementation of a non-interfering calibration that is pre-incorporated onto the sorbent media. Use of an in-situ calibration curve constructed using stable isotope labelled standards provided robust quantification, accuracy of measurement and diagnostic capabilities for malfunctioning fielded equipment. Pre-incorporation of isotopic analogues onto thermal desorption tubes in advance of field distribution greatly improves the accuracy and reproducibility of analyses and demonstrates, for the first time, definitive quantification of target analytes using field-portable GC-MS in an operational theatre.
Patterns of dark respiration in aquatic systems
Authors: Mantikci Mustafa , Staehr Peter A. , Hansen Jørgen L. S. , Markager Stiig
Published: September 2019

We used continuous measurements of dissolved oxygen (DO) in dark bottles to characterise patterns of the dark respiration rate (Rdark) for three marine phytoplankton monocultures and in natural-water samples from two marine coastal systems. Furthermore, patterns of ecosystem community respiration rate were determined from open-water changes in DO in a fjord and in a lake. We considered two models of Rdark to describe temporal changes in DO: constant Rdark and decreasing Rdark; increasing Rdark. In addition, the effect of incubation time on Rdark was investigated in bottle incubations. Constant Rdark was observed in short-term (12-h) bottle incubations in natural-water samples from two marine coastal systems. Declining Rdark was observed in marine phytoplankton cultures and open-water measurements in a lake. Increasing Rdark was observed in open-water measurements in a fjord, particularly during summer. Long-term (120-h) bottle incubations in natural-water samples showed an increase in Rdark after 48 and 72h. We show that the conventional expectation of constant rates of respiration in darkness is far from typical, because non-linear changes are common under both controlled experimental conditions, as well as for open-water measurements of ecosystem respiration.
Initial phonological transfer in L3 Brazilian Portuguese and Italian
Authors: Cabrelli Jennifer , Pichan Carrie
Published: September 2019

This study examines five variables posited to drive(s) initial phonological transfer of (part of) one system over another in an L3: language status (L1/L2), facilitation, global structural similarity, dominance, and bilingual experience. Specifically, we investigate production of intervocalic voiced stops by English/Spanish bilinguals at the initial stages of L3Brazilian Portuguese (BP) or Italian. These segments surface as [−continuant] in BP, Italian, and English but are realized as [+continuant] in Spanish; English transfer is therefore facilitative while Spanish is non-facilitative. Three groups (English-dominant heritage Spanish speakers, L1English/L2Spanish, L1Spanish/L2English) enrolled in first semester BP or Italian completed delayed repetition tasks in all three languages. The majority of participants across groups produce Spanish-like [+continuant] segments, suggestive of a primary role for global structural similarity. For the subset of participants across groups that produces English-like/L3-like [−continuant] segments, debrief data indicate a potential relationship between metalinguistic knowledge and [−continuant] production.