bluuebunny/crossref_metadata_2025 huggingface dataset:
Terminal alkyne insertion into a thiolate-bridged dirhodium hydride complex derived from heterolytic cleavage of H2
Authors: Zhao Xiangyu , Yang Dawei , Zhang Yahui , Wang Baomin , Qu Jingping
Published: August 2018

A thiolate-bridged dirhodium complex facilitates H2heterolysis to generate hydride species, then terminal alkyne insertion affords σ:π alkenyl bridged complexes.
Asymmetric synthesis of polysubstituted methylenecyclobutanes via catalytic [2+2] cycloaddition reactions of N-allenamides
Authors: Zhong Xia , Tang Qiong , Zhou Pengfei , Zhong Ziwei , Dong Shunxi , Liu Xiaohua , Feng Xiaoming
Published: August 2018

An asymmetric [2+2] cycloaddition reaction of alkylidene malonates with the internal CC bond of N-allenamides was developed with a Mg(ii)/N,N′-dioxide complex as a catalyst.
Passing it up the ranks: hierarchical ion-size dependent supramolecular response in 1D coordination polymers
Authors: Sensharma Debobroto , Wix Paul , Kathalikkattil Amal Cherian , Schmitt Wolfgang
Published: August 2018

The synthesis and structural characterisations of four 1D coordination polymers based on the 1,3,5-tris(4-carboxyphenyl)benzene (H3btb) and 2,4,6-tris(2-pyridyl)-1,3,5-triazine (2-tpt) ligands are reported: [MII(Hbtb)(2-tpt)]·xDMF, M = Zn (1), Ni (2), Mn (3) and Cd (4).
Self-assembly of 3D porous architectures from energetic nanoparticles for enhanced energetic performances
Authors: Wang Jun , Zhang Long , Guo Xiangli , Qu Yanyang , Pang Wanting , Chen Xiaowei
Published: August 2018

3D architectures with porous network of energetic molecules were designed and constructed by introduce a general approach through two-step self-assembly process.
Communication through the furan ring: the conformational effect on the internal rotation of 5-methyl furfural studied by microwave spectroscopy
Authors: Hakiri Rihab , Derbel Najoua , Nguyen Ha Vinh Lam , Mouhib Halima
Published: August 2018

Internal rotation of the methyl group in 5-methyl furfural as a tool to explore electronic effects on the structure and dynamics of isolated molecules: new insights from large amplitude motions.
Control of ice nucleation: freezing and antifreeze strategies
Authors: Zhang Zhisen , Liu Xiang-Yang
Published: August 2018

Water freezing remains a perennial topic of great relevance to many important aspects of our lives; from the climate to human society and from economics to medicine, frozen water profoundly influences our living environment and life activities.
Anti-inflammatory bowel effect of industrial orange by-products in DSS-treated mice
Authors: Pacheco M. Teresa , Vezza Teresa , Diez-Echave Patricia , Utrilla Pilar , Villamiel Mar , Moreno F. Javier
Published: August 2018

Pectin, phenolic compounds and/or Maillard reaction products present in orange by-products may exert an anti-inflammatory bowel effect in DSS-treated mice.
Phenolic profile and in vitro bioactive potential of Saharan Juniperus phoenicea L. and Cotula cinerea (Del) growing in Algeria
Authors: Ghouti Dalila , Rached Wahiba , Abdallah Moussaoui , Pires Tânia C. S. P. , Calhelha Ricardo C. , Alves Maria José , Abderrahmane Lazzouni Hamadi , Barros Lillian , Ferreira Isabel C. F. R.
Published: August 2018

Juniperus phoenicea presented 3-p-coumaroylquinic acid as the main compound, while Cotula cinerea contained luteolin derivatives and 5-O-caffeoylquinic acid. The hydroethanolic extracts showed the highest bioactivities.
Comparison of cell disruption techniques prior to lipid extraction fromScenedesmussp. slurries for biodiesel production using liquid CO2
Authors: Viner K. J. , Champagne P. , Jessop P. G.
Published: August 2018

Microwave radiation exhibits the highest potential for releasing lipids fromScenedesmussp.
Novel 1,3,4-thiadiazole–chalcone hybrids containing catechol moiety: synthesis, antioxidant activity, cytotoxicity and DNA interaction studies
Authors: Jakovljević Katarina , Joksović Milan D. , Matić Ivana Z. , Petrović Nina , Stanojković Tatjana , Sladić Dušan , Vujčić Miroslava , Janović Barbara , Joksović Ljubinka , Trifunović Snežana , Marković Violeta
Published: August 2018

1,3,4-Thiadiazole compounds containing catechol moiety and chalcone motif are synthesized and examined for antioxidant activity, cytotoxicity and DNA-binding activity.
Steered molecular dynamics simulations reveal a self-protecting configuration of nanoparticles during membrane penetration
Authors: Nademi Yousef , Tang Tian , Uludağ Hasan
Published: August 2018

An siRNA/PEI nanoparticle undergoes compaction and siRNA alignment during membrane penetration.
Breakdown of Hooke's law at the nanoscale – 2D material-based nanosprings
Authors: Zhan Haifei , Zhang Gang , Yang Chunhui , Gu Yuantong
Published: August 2018

2D material based nanosprings break down Hooke's law at the nanoscale.
Single atom detachment from Cu clusters, and diffusion and trapping on CeO2(111): implications in Ostwald ripening and atomic redispersion
Authors: Wan Qiang , Wei Fenfei , Wang Yingqi , Wang Feiteng , Zhou Linsen , Lin Sen , Xie Daiqian , Guo Hua
Published: August 2018

This study provides important information on single atom detachment from Cu clusters, and diffusion and trapping on CeO2(111).
Bimodal fluorogenic sensing of matrix proteolytic signatures in lung cancer
Authors: Megia-Fernandez Alicia , Mills Bethany , Michels Chesney , Chankeshwara Sunay V. , Krstajić Nikola , Haslett Chris , Dhaliwal Kevin , Bradley Mark
Published: August 2018

We present a highly-specific, rapidly activatable dual-FRET-smartprobe for the independent optical detection of metalloproteinases and thrombin in lung cancer tissue.
Investigation on cure kinetics of epoxy resin containing carbon nanotubes modified with hyper-branched polyester
Authors: Lu Li , Xia Liao , Zengheng Hao , Xingyue Sheng , Yi Zhang , Pan Liu
Published: August 2018

The cure kinetics of epoxy resin cured by D-EP, D-EP/CNT composites and D-EP/CNTs-H20 were investigated by non-isothermal differential scanning calorimetry (DSC).
Deposition of methylammonium iodideviaevaporation – combined kinetic and mass spectrometric study
Authors: Bækbo Martin J. , Hansen Ole , Chorkendorff Ib , Vesborg Peter C. K.
Published: August 2018

Methylammonium iodide (MAI) is found to evaporate as CH3NH2and HI with the result that a high partial pressure of MAI is needed to form CH3NH3PbI(3−x)Clxperovskite under vacuum conditions.
Multi-layer graphene oxide synergistically modified by two coupling agents and its application in reinforced natural rubber composites
Authors: Jiang Meng , Xiong Yuzhu , Xue Bai , Zhang Qingpo , Wan Qian , Zhao Hailong
Published: August 2018

Multi-layer graphene oxide synergistically modified by two coupling agents can effectively reinforce natural rubber composites.
High yield production of cellulose by a Komagataeibacter rhaeticus PG2 strain isolated from pomegranate as a new host
Authors: Thorat Meghana N. , Dastager Syed G.
Published: August 2018

For the first time, we have isolated a BC producing Komagataeibacter rhaeticus strain PG2 from a rotten pomegranate sample. The new host environment, and the substrate utilization pattern of strain PG2, reveal efficient bacterial cellulose production.
Electron paramagnetic resonance spectroscopic studies of the electron transfer reaction of Hantzsch ester and a pyrylium salt
Authors: Sebők-Nagy K. , Rózsár D. , Puskás L. G. , Balázs Á. , Páli T.
Published: August 2018

The oxidation of Hantzsch ester by a pyrylium cation takes 3 place via electron–proton–electron transfer. The present in-depth EPR study of the radical reactions of a NADH analogue indicate a complex electron transfer mechanism in the title reaction.
Composition design, electrical properties, and temperature stability in (1 − x)K0.44Na0.56Nb0.96Sb0.04O3-xBi0.45La0.05Na0.5ZrO3 lead-free ceramics
Authors: Ma Jian , Wu Juan , Wu Bo
Published: August 2018

A new system of (1 – x)K0.44Na0.56Nb0.96Sb0.04O3-xBi0.45La0.05Na0.5ZrO3 (KNNS-xBLNZ, 0 ≤ x ≤ 0.06) ceramics was designed, and systemically investigated both their electrical performance and temperature stability.
Red C-dots and C-dot films: solvothermal synthesis, excitation-independent emission and solid-state-lighting
Authors: Chen Daqin , Chen Xiao , Gao Haobo , Zhong Jiasong
Published: August 2018

Excitation-independent red carbon dots were prepared by a solvothermal reaction and were demonstrated to be applicable in solid-state-lighting.
Identification of 4-isopropyl–thiotropolone as a novel anti-microbial: regioselective synthesis, NMR characterization, and biological evaluation
Authors: Elagawany Mohamed , Hegazy Lamees , Cao Feng , Donlin Maureen J. , Rath Nigam , Tavis John , Elgendy Bahaa
Published: August 2018

4-Isopropyl–thiotropolone was identified as a novel anti-microbial agent with good therapeutic index and ADME properties.
Electron transfer ferredoxins with unusual cluster binding motifs support secondary metabolism in many bacteria
Authors: Child Stella A. , Bradley Justin M. , Pukala Tara L. , Svistunenko Dimitri A. , Le Brun Nick E. , Bell Stephen G.
Published: August 2018

Unusual ferredoxins with different iron–sulfur cluster binding motifs support natural product biosynthesis in a wide range of bacteria.
The mechanism of the triple aryne–tetrazine reaction cascade: theory and experiment
Authors: Suh Sung-Eun , Chen Shuming , Houk K. N. , Chenoweth David M.
Published: August 2018

This article describes an experimental and computational investigation on the possible aryne reactivity modes in the course of the reaction of two highly energetic molecules, an aryne and a 1,2,4,5-tetrazine.
Intermediate crystalline structures of colloids in shape space
Authors: Klotsa Daphne , Chen Elizabeth R. , Engel Michael , Glotzer Sharon C.
Published: August 2018

We computationally study the thermodynamic assembly of more than 40 000 hard, convex polyhedra belonging to three families of shapes associated with the triangle groups 323, 423, and 523. Our results provide a guide to self-assembling a host of related colloidal crystals through systematic design, through careful tweaking of particle shape.
“Pea-pod-like” nitrogen-doped hollow porous carbon cathode hosts decorated with polar titanium dioxide nanocrystals as efficient polysulfide reservoirs for advanced lithium–sulfur batteries
Authors: Yao Weiqi , Chu Chenjie , Zheng Weizhong , Zhan Liang , Wang Yanli
Published: August 2018

The peculiar “pea-pod-like” rod-TiO2@C/S cathodes deliver high capacity, superior rate capability and long-term cycle stability.
Elaborate construction of N/S-co-doped carbon nanobowls for ultrahigh-power supercapacitors
Authors: Wang Jian-Gan , Liu Hongzhen , Zhang Xingyuan , Shao Minhua , Wei Bingqing
Published: August 2018

N,S-co-doped carbon nanobowls are elaborately constructed to show increased packing density and ultrahigh power density.
Fabrication of micron-sized BSA-imprinted polymers with outstanding adsorption capacity based on poly(glycidyl methacrylate)/polystyrene (PGMA/PS) anisotropic microspheres
Authors: Wang Yufei , Zhou Jingjing , Wu Chen , Tian Lei , Zhang Baoliang , Zhang Qiuyu
Published: August 2018

Monodisperse poly(glycidyl methacrylate)/polystyrene (PGMA/PS) anisotropic microspheres have been fabricated by seed polymerization for BSA-imprinting microspheres.
Mechanical determination of particle–cell interactions and the associated biomedical applications
Authors: Zhang Xiao , Song Cui , Ma Guanghui , Wei Wei
Published: August 2018

Mechanical determination of particle–cell interactions and the associated biomedical applications.
Bioelectronics with nanocarbons
Authors: Rastogi Sahil Kumar , Kalmykov Anna , Johnson Nicholas , Cohen-Karni Tzahi
Published: August 2018

Smart bioelectronics fabricated from nanocarbons have the potential to enable seamless integration with electrogenic cells and tissues.
Development of quantum dot-based biosensors: principles and applications
Authors: Ma Fei , Li Chen-chen , Zhang Chun-yang
Published: August 2018

We review the recent advances in quantum dot-based biosensors and focus on quantum dot-based fluorescent, bioluminescent, chemiluminescent, and photoelectrochemical biosensors.
Interlayer coupling and external electric field tunable electronic properties of a 2D type-I α-tellurene/MoS2 heterostructure
Authors: Zhang Wenli , Chang Dahu , Gao Qiang , Niu Chunyao , Li Chong , Wang Fei , Huang Xiaowei , Xia Congxin , Jia Yu
Published: August 2018

Applying an external electric field can induce a transition from a type-I to a type-II band alignment in an α-tellurene/MoS2 heterostructure.
A systems perspective of heterocellular signaling
Authors: Wells Alan , Wiley H. Steven
Published: August 2018

Signal exchange between different cell types is essential for development and function of multicellular organisms, and its dysregulation is causal in many diseases. Unfortunately, most cell-signaling work has employed single cell types grown under conditions unrelated to their native context. Recent technical developments have started to provide the tools needed to follow signaling between multiple cell types, but gaps in the information they provide have limited their usefulness in building realistic models of heterocellular signaling. Currently, only targeted assays have the necessary sensitivity, selectivity, and spatial resolution to usefully probe heterocellular signaling processes, but these are best used to test specific, mechanistic models. Decades of systems biology research with monocultures has provided a solid foundation for building models of heterocellular signaling, but current models lack a realistic description of regulated proteolysis and the feedback processes triggered within and between cells. Identification and understanding of key regulatory processes in the extracellular environment and of recursive signaling patterns between cells will be essential to building predictive models of heterocellular systems.
Acceleration of low density parity check code (LDPC) decoding by successive overrelaxations
Authors: Saouter Y.
Published: August 2018

Belief propagation and variants are the usual decoding algorithms for low‐density parity check codes. The successive overrelaxations are applied to increase the convergence speed of the decoding process. Performances are reported and improvements over the reference algorithms are observed. This technique is also compatible with the high‐speed parallel group decoding involved in modern standards such as DVB‐S2.
ARssist: augmented reality on a head‐mounted display for the first assistant in robotic surgery
Authors: Qian Long , Deguet Anton , Kazanzides Peter
Published: August 2018

In robot‐assisted laparoscopic surgery, the first assistant (FA) is responsible for tasks such as robot docking, passing necessary materials, manipulating hand‐held instruments, and helping with trocar planning and placement. The performance of the FA is critical for the outcome of the surgery. The authors introduce ARssist, an augmented reality application based on an optical see‐through head‐mounted display, to help the FA perform these tasks. ARssist offers (i) real‐time three‐dimensional rendering of the robotic instruments, hand‐held instruments, and endoscope based on a hybrid tracking scheme and (ii) real‐time stereo endoscopy that is configurable to suit the FA's hand–eye coordination when operating based on endoscopy feedback. ARssist has the potential to help the FA perform his/her task more efficiently, and hence improve the outcome of robot‐assisted laparoscopic surgeries.
Gaia Data Release 2
Authors: Roelens M. , Eyer L. , Mowlavi N. , Rimoldini L. , Lecoeur-Taïbi I. , Nienartowicz K. , Jevardat de Fombelle G. , Marchal O. , Audard M. , Guy L. , Holl B. , Evans D. W. , Riello M. , De Angeli F. , Blanco-Cuaresma S. , Wevers T.
Published: August 2018

Aims. We describe the methods used and the analysis performed in the frame of the Gaia data processing activities to produce the Gaia Data Release 2 (DR2) sample candidates with short-timescale variability together with associated parameters.

Methods. The Gaia DR2 sample of candidates with short-timescale variability results from the investigation of the first 22 months of Gaia G per-CCD, GBP, and GRP photometry for a subsample of sources at the Gaia faint end (G ~ 16.5−20 mag). For this first short-timescale variability search exploiting Gaia data, we limited ourselves to the case of suspected rapid periodic variability. Our study combines fast-variability detection through variogram analysis, a high-frequency search by means of least-squares periodograms, and an empirical selection based on the investigation of specific sources seen through the Gaia eyes (e.g., known variables or visually identified objects with peculiar features in their light curves). The progressive definition, improvement, and validation of this selection criterion also benefited from supplementary ground-based photometric monitoring of a few tens of preliminary candidates with short-timescale variability, performed at the Flemish Mercator telescope in La Palma (Canary Islands, Spain) between August and November 2017.

Results. As part of Gaia DR2, we publish a list of 3018 candidates with short-timescale variability, spread throughout the sky, with a false-positive rate of up to 10–20% in the Magellanic Clouds, and a more significant but justifiable contamination from longer-period variables between 19% and 50%, depending on the area of the sky. Although its completeness is limited to about 0.05%, this first sample of Gaia short-timescale variables recovers some very interesting known short-period variables, such as post-common envelope binaries or cataclysmic variables, and brings to light some fascinating, newly discovered variable sources. In the perspective of future Gaia data releases, several improvements of the short-timescale variability processing are considered, by enhancing the existing variogram and period-search algorithms or by classifying the identified variability candidates. Nonetheless, the encouraging outcome of our Gaia DR2 analysis demonstrates the power of this mission for such fast-variability studies, and opens great perspectives for this domain of astrophysics.
Von der Prämedikationsvisite bis zum Aufwachraum
Authors: Hiedl Tobias , Christmann Tina , Neitzert Renate , Brettner Florian , Hulde Nikolai , Gleim Nicole
Published: August 2018

Im Schwerpunkt werfen wir einen Blick hinter das grüne Tuch: Hohes medizinisches und pflegerisches Fachwissen, perfekter Umgang mit den technisch komplexen
Geräten, dazu eine sichere und effektive Kommunikation mit den Anästhesisten – die Anforderungen an Anästhesiepflegefachkräfte sind vielfältig und hoch. Immer
im Blick: die Sicherheit und das Wohlbefinden des Patienten. Wir stellen die pflegerischen Aufgaben im Einzelnen vor – damit Sie fit sind für die
Jobrotation.
Aerobic Allylation of Alcohols with Non-Activated Alkenes Enabled by Light-Driven Selenium-π-Acid Catalysis
Authors: Breder Alexander , Rode Katharina , Palomba Martina , Ortgies Stefan , Rieger Rene
Published: August 2018

A new organocatalytic protocol for the aerobic dehydrogenative allylation of alcohols using non-activated alkenes as the allylating reagent and ambient air as the terminal oxidant is established. Mechanistically, the procedure relies on the interplay of a diselane and a photo­redox catalyst by means of a light-induced electron transfer process. Under optimized conditions, a broad range of both cyclic and acyclic ethers is accessed with very high functional group tolerance and excellent regioselectivity.
A Synthesis of Novel Perinaphthenones from Acetylenic Esters and Acenaphthoquinone–Malononitrile Adduct in the Presence of Triphenylphosphine
Authors: Yavari Issa , Khajeh-Khezri Aliyeh , Halvagar Mohammad
Published: August 2018

A facile protocol involving Tebby zwitterions (PPh3-acetylenic esters) and the Knoevenagel condensation product of acenaphthylene-1,2-dione with malononitrile or ethyl cyanoacetate for the selective synthesis of a new series of perinaphthenone derivatives is described. Triphenylphosphine plays a catalytic role in these transformations. The structure of a typical product was confirmed by X-ray crystallography. The merits of this method include high yields of products, good atom economy, and a metal-free catalyst.
In Vitro Effect of p-Chlormercuribenzoate upon Dilute Blood Clot Lysis Time in Hyperlipemia
Authors: Cucuianu Mircea P , Stef Codruta , Zdrenghea Dorel , Popescu Octavian
Published: August 2018

In comparison to values obtained in normal-weight normolipenic controls, dilute blood clot lysis time was found to be prolonged in resting and exercised patients with endogenous hypertriglyceridemia. Lysis time was also prolonged in overweight subjects with only slightly increased serum lipids but it was not significantly changed in type II-a hyperlipoproteinemia. An obvious acceleration of clot lysis was noted in patients with decompensated cirrhosis of the liver. Inclusion of p-chlormercuribenzoate (PCMB) into the diluted blood clot caused an acceleration of lysis time. This effect was particularly obvious with hypertriglyceridemic blood and minimal with blood obtained from cirrhotic patients. Addition of various amounts of heat-defibrinated plasma to blood from cirrhotic patients caused a proportional prolongation of clot lysis time and this effect was greatly diminished in the presence of PCMB. Similar amounts of serum had a much lesser effect than defibrinated plasma. Inhibition of fibrin cross-linking by PCMB was confirmed by sodium dodecylsulfate polyacrylamide gel electrophoresis.

The present data complete previous observations concerning a higher plasma factor XIII activity in type II-b and type IV hyperlipoproteinemia and suggest that an increased crosslinking of fibrin might partially explain the deficient thrombolysis of hypertriglyceridemic patients.
Preparation of a Viable Population of Indium-111- Labelled Human Blood Platelets
Authors: Heyns A Dup , Badenhorst P N , Pieters H , Lötter M G , Minnaar P C , Duyvene de Wit L J , Van Reenen O R , Retief F P
Published: August 2018

Factors influencing labelling of human platelets with 111Indium-8-hydroxyquinoline ([111In]-oxine) in a physiological saline medium were investigated. The efficiency of labelling is influenced by time of incubation, concentration of oxine, and pH of the incubating medium. It was found that a viable platelet population could be labelled under the following conditions: (1) centrifugation of platelet rich plasma in polystyrene conical tubes at 800 g for 15 min; (2) resuspension of the platelet pellet in saline, pH 5.5; (3) incubating for 30 min at 22°C with [111In]-oxine at a concentration of 6.25 mg oxine/litre platelet suspension; (4) washing once with platelet poor autologous plasma (PPP); and (5) finally resuspending the platelets in PPP. The labelled platelets aggregated normally with collagen and ADP. Electron microscopy, done immediately after labelling, showed internal organelle reorganization characteristic of activated platelets. These ultrastructural features were reversible on incubation in PPP at 37°C for 30 min. The 111In is not released from aggregated platelets and the label does not elute from incubated platelets for at least five hr. We conclude that human platelets thus labelled are suitable for in vivo kinetic studies.
Evaluation of the In Vitro Detection of the Hypercoagulable State Using the Thrombin Generation Test and Plasma Clot Impedance Test
Authors: Peck Sanford D
Published: August 2018

This study reports the correlation of the thrombin generation test and the plasma clot impedance test with clinical evidence of hypercoagulability. Thrombin generation is increased and the rate of change of plasma from a liquid to a gel (clot impedance) is increased in situations where the risk of thrombosis is increased.

These situations include increasing clinical signs and/or symptoms of thromboembolism, positive lung scans, postoperative total hip replacement, patients over 40 years old, low serum antithrombin III, thrombocytosis, transient cerebral ischemia, and positive isotope venogram for thrombosis. The two tests failed to indicate a significant effect of antiplatelet drugs on the hypercoagulable state.

This study shows that the thrombin generation and plasma clot impedance tests are practical, rapid and useful tests for the detection and monitoring of the hypercoagulable state.
Treatment of Iron Deficiency Anemia in Pregnancy with Intravenous versus Oral Iron: Systematic Review and Meta-Analysis
Authors: Burwick Richard , Govindappagari Shravya
Published: August 2018

Objective To perform a systematic review and meta-analysis of randomized controlled trials (RCTs) to assess the benefits of intravenous (IV) iron in pregnancy.

Study Design Systematic review was registered with PROSPERO and performed using PRISMA guidelines. PubMed, MEDLINE, Web of Science, ClinicalTrials.gov, Cochrane Library, and Google Scholar were searched. Eleven RCTs, comparing IV to oral iron for treatment of iron-deficiency anemia in pregnancy, were included. Meta-analyses were performed with Stata software (College Station, TX), utilizing random effects model and method of DerSimonian and Laird. Outcomes were assessed by pooled odds ratios (OR) or pooled weighted mean difference (WMD). Sensitivity analyses were performed for heterogeneity.

Results We found that pregnant women receiving IV iron, compared with oral iron, had the following benefits: (1) Achieved target hemoglobin more often, pooled OR 2.66 (95% confidence interval [CI]: 1.71–4.15), p < 0.001; (2) Increased hemoglobin level after 4 weeks, pooled WMD 0.84 g/dL (95% CI: 0.59–1.09), p < 0.001; (3) Decreased adverse reactions, pooled OR 0.35 (95% CI: 0.18–0.67), p = 0.001. Results were unchanged following sensitivity analyses.

Conclusion In this meta-analysis, IV iron is superior to oral iron for treatment of iron-deficiency anemia in pregnancy. Women receiving IV iron more often achieve desired hemoglobin targets, faster and with fewer side effects.
Childhood Pulmonary Function, Exercise Capacity, and Exhaled Nitric Oxide Levels: Outcomes following Neonatal Treatment with Inhaled Nitric Oxide to Prevent Bronchopulmonary Dysplasia
Authors: Escobar Hugo , Holmes Anne , Teson Kelli , Truog William , Kilbride Howard
Published: August 2018

Objective The goal was to determine if inhaled nitric oxide (iNO) for 3 weeks during neonatal care of high-risk preterm infants was associated with improved pulmonary function and exercise capacity or altered exhaled nitric oxide (FeNO) levels in later childhood.

Study Design Thirty-four very preterm children previously enrolled in a randomized, neonatal trial of iNO to prevent chronic lung disease, were assessed in follow-up at 7 to 9 years of age, including pulmonary function testing (PFT), exercise testing, and measurement of FeNO.

Results There were no differences in PFTs or exercise capacity between iNO treated and controls. FeNO levels showed large interpatient variability but tended to be lower in the iNO treated.

Conclusion Findings indicate no overall differences in pulmonary function or exercise capacity for children who had neonatal iNO treatment compared with placebo.
A Long-Term Study of Application of Joshi's External Stabilizing System in Displaced Intra-articular Distal End Radius Fractures
Authors: Shukla Rajeev , Champawat Vishal , Jain Ravi
Published: August 2018

Background Fractures of the distal end radius are a common upper extremity fracture. Intra-articular distal end radius fractures are recognized as very complex injuries with a variable prognosis. The aim of the study was to assess the long-term functional outcome of patients treated with Joshi's external stabilizing system (JESS) for displaced intra-articular distal end radius fractures.

Materials and Methods A total of 170 patients with intra-articular distal end radius fracture were treated with JESS from 2014 to 2017. The patients were followed up at 2, 6 weeks, 6 months, 1, and 2 years (final) after the surgery. The assessment of pain, range of motion, grip strength, and satisfaction were assessed at 6 months, 1, and 2 years (final) follow-up and scored according to modified Mayo wrist scoring system.

Results The good and/or excellent results were found in 82.2% of cases. We observed that patients with age less than 50 years had greater prognosis as compared with patients with more than 50 years of age. Final outcome was also found better in males as compared with females at 6 months, 1, and 2 years postoperatively.

Conclusion JESS is an effective treatment technique for intra-articular distal end radius fractures in our community. On long-term follow-up of the patients treated with JESS for intra-articular distal end radius fractures, the functional and radiological outcomes were good with low complication rate.
Self-trapped holes in BaTiO3
Authors: Traiwattanapong Worawat , Janotti Anderson , Umezawa Naoto , Limpijumnong Sukit , T-Thienprasert Jiraroj , Reunchan Pakpoom
Published: August 2018

The behavior of holes in the valence band of BaTiO3 is investigated using hybrid density-functional calculations. We find that holes tend to self-trap, localizing on individual O atoms and causing local lattice distortions, forming small hole-polarons. This takes place even in the absence of intrinsic defects or impurities. The self-trapped hole (STH) is more energetically favorable than the delocalized hole in the valence band. The calculated emission peak energy corresponding to the recombination of a conduction band electron with a STH can explain the observed photoluminescence at low temperatures. The stability of the STH, its migration barrier, and the related emission peak are then compared to those of SrTiO3.
Study of magnetic reconnection in large-scale magnetic island coalescence via spatially coupled MHD and PIC simulations
Authors: Makwana Kirit D. , Keppens Rony , Lapenta Giovanni
Published: August 2018

We study the process of magnetic reconnection in a coalescing magnetic island setup by means of numerical simulation. This process mimics flux tube merging which can take place in the solar corona, laboratory, and astrophysical objects. Simulations are performed with magnetohydrodynamics (MHD), Hall-MHD, and a newly developed Coupled MHD and Particle-In-Cell (PIC) model (CMAP). This model treats the global simulation domain with MHD, while the region around the reconnection zone is treated with PIC. This CMAP code allows us to simulate larger-scale domains with lesser computing power compared to fully PIC simulations. CMAP reproduces the dynamics of fully kinetic simulations which Hall-MHD does not capture, as seen in the Hall magnetic field and the reconnecting current sheet structure. For large islands in kinetic simulations, the current sheet does not form smoothly and shows chaotic behavior, and the magnetic islands also bounce and slosh. The current sheet thickness, length, and aspect ratios are calculated. They show that in the CMAP model, the thickness remains close to the ion skin depth, while the length changes weakly with the system size, giving a steady aspect ratio for the two largest system size simulations. The pressure tensor also shows large deviations from isotropy and gyrotropy near the current sheet. The CMAP simulations for smaller system sizes are compared to fully kinetic simulations, and we find that a minimum fraction of area has to be provided PIC feedback in the CMAP simulations in order to produce reconnection rates and dynamics similar to fully kinetic simulations. The reconnection rate reduces with the increasing island size. For the CMAP model, this reduction is steeper compared to MHD and Hall-MHD initially, but for larger system sizes, the reconnection rates in CMAP simulations show a steady behavior.
Characterization of the vibrational properties of copper difluoride anion and neutral ground states via direct and indirect photodetachment spectroscopy
Authors: Lyle Justin , Chandramoulee Sudharson Ravishankar , Hamilton Jacob R. , Traylor Blaine A. , Guasco Timothy L. , Jagau Thomas-C. , Mabbs Richard
Published: August 2018

Photoelectron spectra of 63CuF2− are reported at wavelengths 310 nm, 346.6 nm, and 350.1 nm, obtained via velocity map imaging. The photoelectron angular distributions allow for the unambiguous assignment of a 2Σg+ neutral CuF2 ground state. Vibrational analysis of the direct detachment transitions in the spectra enables accurate determination of the anion and neutral bond length difference (0.073 Å), adiabatic electron affinity of CuF2 (3.494 eV) and symmetric stretching (500 cm−1, anion, and 630 cm−1, neutral) and antisymmetric stretching (610 cm−1, anion, and 782 cm−1 neutral) frequencies of the ground electronic states. Strongly photon energy dependent intensities are also observed for select transitions. Equation-of-motion coupled-cluster singles and doubles calculations augmented by a complex absorbing potential reveal a metastable 1Πg anion state which is optically accessible due to Renner-Teller coupling. Mediation of the detachment process by this state allows measurement of the bending frequencies (177 cm−1, anion, and 200 cm−1, neutral) completing the inventory of experimentally measured vibrational properties of the ground electronic states.
Arousing effective attenuation mechanism of reduced graphene oxide-based composites for lightweight and high efficiency microwave absorption
Authors: Liu Shengchao , Zhang Miaomiao , Lv Xiaoyan , Wei Yun , Shi Yupeng , Zhang Jingwei , Zhang Lei , Gong Chunhong
Published: August 2018

To construct effective electromagnetic parameters of reduced graphene oxide (RGO)-based composites for lightweight and high efficiency microwave absorption, Ni/RGO composites were prepared via a facile in-situ hydrothermal process. Due to the strong high-frequency polarization effect related to the large surface contact area of the obtained Ni/RGO hybrids, the composites presented strong electromagnetic wave attenuation ability even when the filler content is only 1.6 wt. %. This work might deepen the understanding of the effective dielectric loss mechanism and impedance matching and provide an effective strategy for the practical application of RGO as a lightweight and high-performance microwave absorption material.
Fast linear confocal scanning photoacoustic dermoscopy for non-invasive assessment of chromatodermatosis
Authors: Ma Haigang , Cheng Zhongwen , Wang Zhiyang , Gu Ying , Zhang Tingwei , Qiu Haixia , Yang Sihua
Published: August 2018

Medical imaging plays an indispensable role in clinical diagnosis and assessment of pathophysiological correlations in dermatology. However, the existing imaging techniques are limited to resolve the concentration and spatial distribution of skin melanin for chromatodermatosis. In this work, we developed a fast linear confocal scanning photoacoustic dermoscopy (FLCS-PAD) for label-freely visualizing the pathologic structures of pigmented lesion and quantitatively evaluating melanin content of pigmented abnormality. The FLCS-PAD was utilized for non-invasive and high-resolution imaging of epidermal conditions in Cafe-au-lait macules patients. Image results demonstrated that there was a significant difference between normal and Cafe-au-lait macules skin (p < 0.05). By implementing a fast linear confocal scanning mode, an individual's photoacoustic pathological section can be quickly obtained with clinical score in ∼1 s. The FLCS-PAD might as well extend to diagnose other dermatological conditions, which opens a perspective in dermatological imaging technology.
Electronic and structural peculiarities of Br2-embedded C2F: XPS and DFT study
Authors: Cholach Alexander , Asanov Igor , Bryliakova Anna , Asanova Tatyana , Pinakov Dmitrii , Okotrub Alexander , Kim Min-Gyu
Published: August 2018

The prospects of the complementary use of X-ray photoelectron spectroscopy (XPS) and density functional theory (DFT) have been demonstrated by the examples of highly oriented pyrolytic graphite, half-fluorinated graphite C2F, and half-fluorinated graphite C2F intercalated with Br C2FBr0.15. It has been shown that the photoelectron energy losses in XPS spectra conform well to valence band electron transitions resulted from the DFT calculations for relevant unit cells. This conformity justified the other results of joined XPS and DFT studies, which have revealed two arrangements of the Br2 embedded into the C2F framework. The first arrangement corresponds to separate Br pairs in which the Br state is similar to a free Br2 molecule, whereas the second one is an ultra-dense Br chain in which the Br state is between free Br2−1 and Br10 species. The specific energy losses in the XPS Br3d spectrum of C2FBr0.15 indicate a comparable content of both Br arrangements in a sample. Besides, a distinct structure in the difference F1s XPS spectrum is assigned to the expected strengthening of the C-F bond in a C2F matrix under the Br2 intercalation. The state and orientation of intercalated Br2 are juxtaposed with experimental studies by Near Edge and Extended X-ray Absorption Fine Structure spectroscopy and by Raman spectroscopy. A successful confluence of XPS and DFT can be useful in the field of material science, providing the local geometry, the state and bonding between atoms in a sample, and thereby revealing the wear performance of the material, regardless of its application.
High-temperature thermal manipulator using thermal metamaterials based on transformation thermodynamics
Authors: Huang G. Y. , Liu J. F. , Fu T. R. , Zhao Y. M. , Lu S. , Liu B.
Published: August 2018

A thermal manipulator for use in high temperature environments was designed and constructed based on the coordinate transformation method of transformation thermodynamics. The thermal manipulator has two key functions: (1) Guides the heat flux from one region (the center heat source) and (2) Concentrates the guided heat flux to multiple distributed regions outside. The thermal manipulator uses multiple fan-shaped thermal concentrators around the heat source. The fan-shaped concentrators with highly anisotropic thermal conductivities were made of two isotropic materials, copper and a synthesized silica-alumina fibrous matrix, with a working temperature upper limit of 1000°C. Simulations and experiments show that the copper-based metamaterial thermal manipulators can efficiently guide the heat flux from the central heat source and concentrate the heat flux at multiple distributed regions in a high-temperature environment. The thermal manipulator heat flux concentration efficiency was 55.4% with a region concentration ratio of 2.50 which indicates a very strong heat concentration capability which is more than twice that of traditional isotropic materials. Thus, this research provides an effective thermal manipulating method for high-temperature conditions.
Explicit failure model for boron carbide ceramics under shock loading
Authors: Dyachkov S. A. , Parshikov A. N. , Egorova M. S. , Grigoryev S. Yu. , Zhakhovsky V. V. , Medin S. A.
Published: August 2018

Ceramic materials have a long-term industrial demand due to their high mechanical hardness and chemical and temperature resistance. They are brittle and tend to lose strength under heavy loads which complicates the development of a comprehensive material model for simulation of engineering prototypes containing ceramic parts. We developed an improved failure model of ceramics based on the well-known Johnson–Holmquist approach. This model redefines the damage rate equation using a consistent definition of the total plastic strain in the failed material. It reduces the number of free model parameters and enables the plastic strain to be explicitly accumulated during the failure process. The corresponding non-iterative algorithm utilizing this explicit failure model is developed. It is successfully validated by simulation of the wave profiles obtained in plate-impact experiments with boron carbide using the contact smoothed particle hydrodynamic method.
Ring-opening attachment as an explanation for the long lifetime of the octafluorooxolane anion
Authors: Sommerfeld Thomas , Davis Megan C.
Published: August 2018

Octafluorooxalane, C4F8O, has recently attracted attention as a possible replacement of SF6 in high voltage insulation, and its reactivity with respect to free-electron attachment was investigated by mass spectrometry. The most intense signal peaks at 0.9 eV and corresponds to the parent anion, C4F8O−; fragments stemming from complex breakup reactions are detected starting above ∼1.6 eV. Since parent anions in free-electron attachment are normally associated with threshold attachment or an embedding environment allowing excess energy deposition, this observation is highly unusual. Based on density functional calculations, it was nevertheless interpreted as attachment followed by intermolecular-vibrational-relaxation. Here, electron-attachment to octafluorooxalane is studied computationally. First, the electron affinity (EA) is characterized using density functionals and ab initio methods. Moreover, the negative vertical EA is estimated by extrapolating electron binding energies computed in the vicinity of C4F8O− to the geometry of neutral octafluorooxalane. Then, alternative explanations for the 0.9 eV peak are considered. Specifically, a ring-opening reaction that yields a distonic isomer of C4F8O− is identified. Our analysis reveals that the chain isomer possesses many conformers, all of which are considerably more stable than the ring isomer, and that the time scale for the unimolecular ring opening reaction is significantly faster than 1 μs. Thus, at the experimental energy, the ring isomer of C4F8O− is predicted to convert practically completely into the chain isomer, and we argue that the long lifetime and the peak position are effectively determined by the properties of the ring-opening transition state.
Investigation for the structural stress of SiO2 thin films and its distribution on the large-wafer created by plasma enhanced chemical vapor deposition
Authors: Sun DeGui , Sun Qingyu , Xing Wenchao , Sun Zheyu , Shang Hongpeng , Chang Liyuan , Wang Xueping , Liu Peng , Hall Trevor
Published: August 2018

For a multilayered configuration of SiO2 film created by plasma enhanced chemical vapor deposition (PECVD), the thermal stress and growth-caused stress are two intrinsic stresses. In this work, based on the interactions of all the layers of film, a nonlinearly distributed structural stress over a large substrate is found. The numerical simulations for the nonlinear distribution of the structural stress and the uniform distributions of the two intrinsic stresses are carried out. As a result, the tensile structural stress decreases by ∼4x105MPa from center to edge of a 6” silicon wafer and the compressive growth-caused stress increases by ∼5x105MPa corresponding to the growth-rate increase of 40nm/s, which matches a ∼120MPa distribution of residual compressive stress obtained with in-situ measurements of film samples. In simulations, it is also discovered that the initial curvature of substrate has an impressive influence on the later grown film.
The influence of housing and feeding systems on selected fattening and slaughter parameters of finishing pigs with different genotypes
Authors: Knecht Damian , Jankowska-Mąkosa Anna , Środoń Sebastian , Duziński Kamil
Published: August 2018

The aim of the present study was to demonstrate the influence of housing and feeding systems on selected fattening and slaughter parameters of finishers with different genotypes. The experimental population consisted of 1200 finishers in three genetic variants from the Landrace (L), Large White (LW), Duroc (D) and Pietrain (P) breeds: 400 finishers L × [D × P] genotype, 400 finishers LW × [D × P] genotype and 400 finishers [L × LW] × [D × P] genotype. Subgroups were isolated for each genetic variant with the experimental factors: housing system (slatted floor or deep litter) and feeding system (dry or liquid). Selected fattening parameters were analysed: final liveweight (kg), mortality (%), average daily gain (g/day) and feed conversion ratio (kg/kg gain). Additionally, slaughter parameters were analysed: carcass weight (kg), height of longissimus dorsi (LD) muscle (mm), backfat thickness (mm) and lean meat content (%). The housing system strongly affected the final liveweight, average daily gain and carcass weight. To a lesser degree, this factor determined the mortality, feed conversion ratio, height of LD muscle, backfat thickness and lean meat content. The feeding system substantially affected almost all fattening parameters, except for the mortality. Statistical analysis of slaughter parameters showed that the impact of the feeding system was confirmed statistically only in terms of carcass weight. Genotype largely determined the final liveweight, average daily gain, carcass weight and lean meat content. Taking into account interactions of all factors, the most favourable effect in terms of production was to fattening four-way crossbreeds [L × LW] × [D × P] on slatted floors and fed by liquid feeding.
Effect of Alkyl Chain Length in Anions on the Physicochemical Properties of Cellulose-Dissolving Protic Ionic Liquids
Authors: Hanabusa Hideki , Takeoka Yuko , Rikukawa Masahiro , Yoshizawa-Fujita Masahiro
Published: August 2018

A protic ionic liquid (PIL) composed of 1,8-diazabicyclo[5.4.0]-undec-7-ene (DBU) and acetic acid can dissolve cellulose under mild conditions and catalyse its transesterification. To investigate the relationship between physicochemical properties and chemical structures, PILs composed of DBU and carboxylic acids with varying alkyl chain lengths were prepared as cellulose-dissolving solvents. The thermal behaviours of the PILs were analysed by thermogravimetry and differential scanning calorimetry, and their viscosities, ionic conductivities, and cellulose-dissolution abilities were determined. The effect of the alkyl chain length in the carboxylate ion on the physicochemical properties of the PILs was investigated. With increasing chain length, the thermal stability and ionic conductivity increased, whereas the melting point (Tm), glass-transition temperature (Tg), cellulose solubility, and viscosity decreased. The cellulose solubility increased as the difference between the pKa values of the DBU and carboxylic acid (ΔpKa) increased. In addition, the cellulose solubility increased with the increasing density of the PIL. It was revealed that PILs with a high ΔpKa value and a carboxylate ion with a short alkyl chain are suitable for cellulose dissolution.
Settling for dams?: planning for sustainable Indigenous livelihoods within large-scale irrigated agricultural development in north Queensland, Australia
Authors: Barber Marcus
Published: August 2018

Large-scale irrigated production of food, fuel and fibre has received new impetus from rising population and consumption levels and from structural changes in agribusiness, notably financialisation and vertical and horizontal consolidation. In Australia, these trends have provided new justifications for pre-existing economic and nationalist aspirations for water and irrigated agricultural development in the pastoral-dominated tropical north. Indigenous Australians have the longest history of past attachment to northern land and waterscapes, the highest degree of current socioeconomic marginalisation, and the strongest focus on the intergenerational equity and sustainability of development. This qualitative study undertaken with senior Indigenous custodians in two North Queensland catchments identified that major irrigation development posed significant risks, but may also contribute to diversified local Indigenous livelihoods. In particular, well structured development may enable the employment-related resettlement of depopulated traditional lands in the upper catchments, inverting the more commonly reported relationship between dam development and local residence. Yet the catchment-scale impacts from such development means that any complementarity between local Indigenous and developer aspirations in the immediate development zone does not necessarily entail complementarity with downstream Indigenous livelihood needs and aspirations. Regional coordination of Indigenous livelihood plans is required to establish effective baselines for negotiating sustainable development outcomes.