cometadata/datacite-rtg-text-other-reclassification-records huggingface dataset:
Enzymatic synthesis and anti-oxidative activities of plant oil-based ascorbyl esters in 2-methyltetrahydrofuran-containing mixtures
Creators: name: Hu, Ying-Dan
name: Zong, Min-Hua
name: Li, Ning
Publisher: name: Taylor & Francis
Year: 2016
Subjects: subject: Biochemistry
subject: Microbiology
subject: FOS: Biological sciences
subject: Genetics
subject: Biotechnology
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: Biological Sciences not elsewhere classified
subject: Plant Biology

description: Ascorbyl fatty acid esters are commercially interesting fat-soluble antioxidants. In this work, enzymatic synthesis of ascorbyl esters from less expensive and readily available plant oils, and their anti-oxidative activities are described. Among the immobilized lipases tested, Candida antarctica lipase B was the best for the synthesis of plant oil-based ascorbyl esters. The enzyme showed much better catalytic performances in the binary mixtures of biomass-based 2-methyltetrahydrofuran (MeTHF) and t-butanol than the previously preferred t-butanol. The conversions of 70–73% were obtained under the optimal reaction conditions after 24 h, with the unsaturated fatty acid esters (oleate and linoleate, 80–90%) as the major products. The immobilized lipase kept the relative activity of 80% after reuse for 6 batches in MeTHF-containing system. Besides, anti-oxidative activities of plant oil-based ascorbyl esters and ascorbic acid were comparable, which could remove α,α-diphenyl-β-picrylhydrazyl (DPPH) free radical of  >87%.
Designing beyond S.T.E.M.: Public policy, public science and the Learning Sciences
Creators: name: Leonard, Simon N.
Publisher: name: figshare
Year: 2017
Subjects: subject: Education
subject: 160506 Education Policy
subject: FOS: Political science
subject: 130103 Higher Education
subject: FOS: Educational sciences

description: The Annual John P. Keeves Lecture 2017 of the South Australian Institute for Educational Research (SAIER).
The lecture makes two main arguments:
I. STEM is more than the acronym suggests, but rather it is part of a larger movement to reclaim a central social space for science and mathematics, II. To be successful, STEM requires a renewed or refocused research effort that supports changes in practice and not simply best current practice.
Enzymatic synthesis and antitumor evaluation of mono- and diesters of 3-O-β-D-galactopyranosyl-sn-glycerol
Creators: name: Qi, Danping
name: Wei, Wei
name: Diao, Mingming
name: Lv, Fengxia
name: Lu, Zhaoxin
name: Bie, Xiaomei
name: Zhao, Haizhen
Publisher: name: Taylor & Francis
Year: 2016
Subjects: subject: Biochemistry
subject: Microbiology
subject: FOS: Biological sciences
subject: Biotechnology
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: Immunology
subject: FOS: Clinical medicine
subject: Plant Biology
subject: Computational Biology

description: Lipase-catalyzed synthesis of mono- and diesters of 3-O-β-D-galactopyranosyl-sn- glycerol (β-GG) with caproic acid was performed in acetone. The simultaneous production of 1(6’)-monoesters and 1,6’-diesters of β-GG was achieved in this reaction. In order to improve the yield of β-GG esters, four process parameters, enzyme concentration (15 ∼ 25 mg/mL), and substrate molar ratio (caproic acid: β-GG= 1.60 ∼ 2.00 mmol: 0.10 mmol), reaction temperature (40 ∼ 60 °C), and reaction time (8 ∼ 12 h), were optimized via response surface methodology (RSM) employing a three-level-four-variable central composite design. Results showed that enzyme concentration had the most significant (p < 0.0001) effect on the synthesis of β-GG esters. The optimal reaction conditions in acetone were given as follows: Novozyme435 concentration 18.65 mg/mL, molar rate of caproic acid to β-GG 19.46:1, reaction temperature 48 °C, and reaction time 9.83 h. The yield of β-GG esters reached 88.08% under above optimized conditions, which was very close to the predicted value 87.95%. The molar ratio of monoester to diesters was 0.39:0.61. β-GG esters with other fatty acyl chains were synthesized based on the optimized conditions. In vitro antitumor activity indicated that the antitumor activity of β-GG esters was dependent on the nature of fatty acids, such as the length of acyl chain, the degree of saturation, as well as the number of acyl chain.
Deceptive Promises: The Meaning of MOOCs Hype for Higher Education
Creators: name: Popenici, Stefan
Publisher: name: figshare
Year: 2017
Subjects: subject: Education
subject: 130103 Higher Education
subject: FOS: Educational sciences

description: p.p1 {margin: 0.0px 0.0px 0.0px 0.0px; font: 11.0px Helvetica} Since 2011, massive open online courses (MOOCs) fired the imagination of the general public as well as the academics, university administrators and investors alike. This chapter is an analysis of the main promises and expectations associated with MOOCs in higher education. This analysis is largely informed by a literature review of new extensive research reports, press releases, media articles, scholarly blogs and academic papers. Considering costs and benefits, ethical aspects and the impact on the landscape of higher education, the author explores whether MOOCs stay consistent with their initial promises and rhetoric. This chapter explores also implications of the uncritical adoption of venture capital solutions in education.
WRITING LEARNING OUTCOMES. A practical guide for academics
Creators: name: Popenici, Stefan
name: Millar, Victoria
Publisher: name: figshare
Year: 2017
Subjects: subject: 130103 Higher Education
subject: FOS: Educational sciences
subject: Education

description: A practical guidebook for academics on how to write learning outcomes for curriculum design, fair and equitable assessments and student engagement
Reading university corridors.pdf
Creators: name: Popenici, Stefan
Publisher: name: figshare
Year: 2017
Subjects: subject: Education
subject: 130103 Higher Education
subject: FOS: Educational sciences

description: p.p1 {margin: 0.0px 0.0px 0.0px 0.0px; font: 10.0px Helvetica} This is a comparative study of learning spaces and visual messages for students placed on corridors’ walls in two campuses of tertiary education situated in Australia and New Zealand. It critically examines the role of corridors as unstructured, transitional and influential learning spaces capable to enhance or hinder students’ sense of belonging, engagement and interest in learning through the general discourse expressed on walls. It argues that students already perceive an emphasis on what is conveniently presented as marginal spaces and determined by institutional arrangements focused on discipline and control rather than students’ engagement in learning and communities of research. Starting from a perspective that questions the idea that learning happens only in a classroom where an expert delivers education, while transitional spaces have the simple role to organise walking, explores the accepted distinction between centrality and marginality of informal contexts of education. In this context we open the discussion on new frameworks for engaging learning environments, flexible thinking and student-centered education. By 'walking' through campus’ transitional spaces, reading signs on the walls and analysing individual perceptions from students and staff perspectives we found spatial manifestations of the core values and ideological systems impacting learning and teaching.
New isocoumarin and stilbenoid derivatives from the tubers of Sparganium stoloniferum (Buch.-Ham.)
Creators: name: Wu, Da-Wei
name: Liang, Qiao-Li
name: Zhang, Xiao-Long
name: Jiang, Zheng
name: Fan, Xiu-He
name: Yue, Wei
name: Wu, Qi-Nan
Publisher: name: Taylor & Francis
Year: 2016
Subjects: subject: Pharmacology
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Hematology
subject: Infectious Diseases
subject: FOS: Health sciences

description: A new isocoumarin derivative 8,5′-dihydroxy-6′-methoxy-4-phenyl-5,2′-oxidoisocoumarin (1) and a new stilbenoid derivative methyl 5-hydroxy-2-(2-hydroxyphenyl)benzofuran-4-carboxylate (2) together with nine known compounds (3–11) were isolated from the tubers of Sparganium stoloniferum Buch.-Ham.. Another stilbenoid derivative (3) and a xanthone (4) were identified as new natural products and compounds 5–10 were obtained for the first time from the genus Sparganium. All their structures were elucidated by comprehensive spectroscopic analysis and comparison with available literature information.
Video of Procedure
Creators: name: Fults, Adam
name: Wills, Jaden
name: Blackburn, Travis
name: Egan, Amanda
Publisher: name: OSF Registries
Year: 2020

description: This Wiki page contains a video going through an explanation of the Qualtrics survey. The Video shows how the Qualtrics form functions on different electronic devices as well as giving an overview of additions from the original study.
Additional file 1 of Safety and tolerability of nintedanib in patients with progressive fibrosing interstitial lung diseases: data from the randomized controlled INBUILD trial
Creators: name: Cottin, Vincent
name: Martinez, Fernando J.
name: Jenkins, R. Gisli
name: Belperio, John A.
name: Kitamura, Hideya
name: Molina-Molina, Maria
name: Tschoepe, Inga
name: Coeck, Carl
name: Lievens, Dirk
name: Costabel, Ulrich
Publisher: name: figshare
Year: 2022
Subjects: subject: Medicine
subject: Pharmacology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: Cancer
subject: Science Policy
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology
subject: FOS: Biological sciences

description: Additional file 1: Figure S1. Design of the INBUILD trial (A) and time in the INBUILD trial on subject level (B).
Additional file 2 of Safety and tolerability of nintedanib in patients with progressive fibrosing interstitial lung diseases: data from the randomized controlled INBUILD trial
Creators: name: Cottin, Vincent
name: Martinez, Fernando J.
name: Jenkins, R. Gisli
name: Belperio, John A.
name: Kitamura, Hideya
name: Molina-Molina, Maria
name: Tschoepe, Inga
name: Coeck, Carl
name: Lievens, Dirk
name: Costabel, Ulrich
Publisher: name: figshare
Year: 2022
Subjects: subject: Medicine
subject: Pharmacology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: Cancer
subject: Science Policy
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology
subject: FOS: Biological sciences

description: Additional file 2: Table S1. Dose reductions and treatment interruptions in the INBUILD trial in subgroups by sex.
A new oleanolic-type triterpene glycoside from Anchusa italica
Creators: name: Chen, Kui-Kui
name: Xie, Zhou-Jian
name: Dai, Wei
name: Wang, Qi
Publisher: name: Taylor & Francis
Year: 2016
Subjects: Biochemistry
Neuroscience
Pharmacology
Environmental Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified
Cancer

description: A new oleanolic-type triterpene glycoside, (3β,21β)-21-[(β-d-glucopyranosyl-(1→2)-β-d-glucopyranosyl)oxy]-3-hydroxyolean-12-en-28-oic acid (1), together with five analogues, oleanazuroside 1 (2), oleanazuroside 2 (3), 24-hydroxytormentic acid ester glucoside (4), 24-epi-pinfaensin (5), and oleanolic acid 3-O-α-l-arabinoside (6) were isolated from the n-butyl alcohol extract of Anchusa italica. Their structures were determined spectroscopically and compared with previously reported spectral data. Compounds 3–4 and 6 were evaluated for their cytotoxic activities against five human cancer cell lines, but only compound 6 showed moderate cytotoxicity.
Metz_Total_Scattering_Analysis_of_Nanosheet_Materials_PhD_Alfred_University_2017
Creators: name: Metz, Peter
Publisher: name: figshare
Year: 2017
Subjects: subject: 91299 Materials Engineering not elsewhere classified
subject: FOS: Materials engineering

description: Abstract:
Two dimensional materials are of increasing interest as building blocks for functional coatings, catalysts, and electrochemical devices. While increasingly sophisticated processing routes have been designed to obtain high-quality exfoliated nanosheets and controlled, self-assembled mesostructures, structural characterization of these materials remains challenging. This work presents a novel method of analyzing pair distribution function (PDF) data for disordered nanosheet ensembles, where supercell stacking models are used to infer atom correlations over as much as 50 Å. Hierarchical models are used to reduce the parameter space of the refined model and help eliminate strongly correlated parameters.
Three data sets for restacked nanosheet assemblies with stacking disorder are analyzed using these methods: simulated data for graphene-like layers, experimental data for ~1 nm thick perovskite layers, and experimental data for highly defective δ-MnO2 layers. In each case, the sensitivity of the PDF to the real-space distribution of layer positions is demonstrated by exploring the fit residual as a function of stacking vectors. The refined models demonstrate that nanosheets tend towards local interlayer ordering, which is hypothesized to be driven by the electrostatic potential of the layer surfaces. Correctly accounting for interlayer atom correlations permits more accurate refinement of local structural details including local structure perturbations and defect site occupancies. In the δ-MnO2 nanosheet material, the new modeling approach identified 14% Mn vacancies while application of 3D periodic crystalline models to the < 7 Å PDF region suggests a 25% vacancy concentration. In contrast, the perovskite nanosheet material is demonstrated to exhibit almost negligible structural relaxation in contrast with the bulk crystalline material from which it is derived.
Additional file 3 of Safety and tolerability of nintedanib in patients with progressive fibrosing interstitial lung diseases: data from the randomized controlled INBUILD trial
Creators: name: Cottin, Vincent
name: Martinez, Fernando J.
name: Jenkins, R. Gisli
name: Belperio, John A.
name: Kitamura, Hideya
name: Molina-Molina, Maria
name: Tschoepe, Inga
name: Coeck, Carl
name: Lievens, Dirk
name: Costabel, Ulrich
Publisher: name: figshare
Year: 2022
Subjects: subject: Medicine
subject: Pharmacology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: Cancer
subject: Science Policy
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology
subject: FOS: Biological sciences

description: Additional file 3: Table S2. Dose reductions, treatment interruptions and exposure over 52 weeks in the INBUILD trial.
Asymmetrically decorated POM framework formed by a chiral polyanion
Creators: name: Wu, Qiong
name: Wu, Wei
name: Wang, Baoling
name: Qiao, Yongfeng
name: Ju, Hongping
name: Liu, Yuqiang
name: Wang, Hai
Publisher: name: Taylor & Francis
Year: 2016
Subjects: Biophysics
Biochemistry
Pharmacology
Biotechnology
Environmental Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
Cancer
Virology
Computational Biology

description: Reactions of NaH2AsO4 with C-type polyanion precursor lead to a new compound, (NH4)15[As2Fe6Mo22O85AsO2(OH)2]·31.5H2O (1). Compound 1 was characterized by elemental analysis, infrared spectra, thermogravimetric analysis, and single-crystal X-ray diffraction. Structural analysis reveals that AsO2(OH)2− asymmetrically decorated the POM framework, constituting the first inorganic anion asymmetrically decorating a POM. AC measurements of the frequency-dependent χ′′ below 5 K indicated a slow magnetization relaxation in 1, resembling typical single-molecule-magnet behavior. Photocatalytic experiments indicated that introduction of AsO2(OH)2− may offer new active sites and enhanced the overall photocatalytic activity compared with the C-type precursor.
Synthesis of 2-(phenoxymethyl)oxirane derivatives through unexpected rearrangement of oxiran-2-ylmethyl benzenesulfonates
Creators: name: Shen, Chuang
name: Guo, Xiang
name: Yu, Jun
name: Zeng, Xian-Guo
name: Peng, Li
name: Zhao, Chuan-meng
name: Zhang, Fu-Li
Publisher: name: Taylor & Francis
Year: 2017
Subjects: subject: Biochemistry
subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Genetics
subject: Molecular Biology
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified
subject: Developmental Biology
subject: Mental Health
subject: Infectious Diseases
subject: FOS: Health sciences

description: The synthesis of 2-(phenoxymethyl)oxirane derivatives from oxiran-2-ylmethyl benzenesulfonates was developed through a base promoted rearrangement. A new C-O bond was formed along with the unexpected cleavage of C-S bond via this process. This unusual reaction was characterized with mild reaction conditions, high efficiency, and excellent functional group tolerance. A plausible reaction mechanism was proposed on the basis of experimental results and control experiments.
Synthesis of 2-(Phenoxymethyl)oxirane Derivatives through Unexpected Rearrangement of Oxiran-2-Ylmethyl Benzenesulfonates
Creators: name: Shen, Chuang
name: Guo, Xiang
name: Yu, Jun
name: Zeng, Xian-Guo
name: Peng, Li
name: Zhao, Chuan-Meng
name: Zhang, Fu-Li
Publisher: name: Taylor & Francis
Year: 2016
Subjects: subject: Biochemistry
subject: Medicine
subject: Microbiology
subject: FOS: Biological sciences
subject: Genetics
subject: Molecular Biology
subject: Sociology
subject: FOS: Sociology
subject: Biological Sciences not elsewhere classified
subject: Developmental Biology
subject: Mental Health
subject: Infectious Diseases
subject: FOS: Health sciences

description: The synthesis of 2-(phenoxymethyl)oxirane derivatives from oxiran-2-ylmethyl benzenesulfonates was developed through a base promoted rearrangement . A new C-O bond was formed along with the unexpected cleavage of C-S bond via this process. This unusual reaction was characterized with mild reaction conditions, high efficiency and excellent functional group tolerance. A plausible reaction mechanism was proposed on the basis of experimental results and control experiments.
Facile preparation of a novel nickel-containing metallopolymer via RAFT polymerization
Creators: name: Ren, Rong
name: Wang, Yanhua
name: Liu, Dizheng
name: Sun, Weilin
Publisher: name: Taylor & Francis
Year: 2016
Subjects: Biochemistry
Physical Sciences not elsewhere classified
Biotechnology
Environmental Sciences not elsewhere classified
Chemical Sciences not elsewhere classified
Biological Sciences not elsewhere classified

description: While the metallocene polymers were comprehensively studied, other metallopolymers are rarely explored. The major challenge is the lack of a synthetic platform for the preparation of metal coordinated derivatives, monomers, and polymers. Therefore, the development of a facile synthesis of new metal coordinated monomers and polymers is critically needed. A novel successfully synthesized methacrylate-containing nickel complex is reported in this communication. Controlled RAFT polymerizations are further carried out to prepare a series of side-chain nickel containing polymers with different molecular weight and narrow Polydispersity Index (PDI). This new metallopolymer performs specific electrochemical and excellent thermal properties. This study provides a novel and convenient strategy to prepare metallopolymer with controllable molecular weight, which has potential applications in assembled, catalytic and magnetic materials.
Forward flight
Creators: name: Farge, Marie
name: Xu, Ru
name: Jakobi, Timothy
name: Sesterhenn, Joern
name: Ravi, Sridhar
name: Schneider, Kai
name: Engels, Thomas
name: Kolomenskiy, Dmitry
name: Ueyama, Kohei
name: Onishi, Ryo
name: Liu, Hao
Publisher: name: OSF Registries
Year: 2018

description: Videos taken by Tim Jacobi and Sridhar Ravi, May 2016
Additional file 4 of Safety and tolerability of nintedanib in patients with progressive fibrosing interstitial lung diseases: data from the randomized controlled INBUILD trial
Creators: name: Cottin, Vincent
name: Martinez, Fernando J.
name: Jenkins, R. Gisli
name: Belperio, John A.
name: Kitamura, Hideya
name: Molina-Molina, Maria
name: Tschoepe, Inga
name: Coeck, Carl
name: Lievens, Dirk
name: Costabel, Ulrich
Publisher: name: figshare
Year: 2022
Subjects: subject: Medicine
subject: Pharmacology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: Cancer
subject: Science Policy
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology
subject: FOS: Biological sciences

description: Additional file 4: Table S3. Adverse events over 52 weeks of the INBUILD trial.
A geomorphic assessment to inform strategic stream restoration planning in the Middle Fork John Day Watershed, Oregon, USA
Creators: name: O’Brien, Gary R.
name: Wheaton, Joseph
name: Fryirs, Kirstie
name: McHugh, Peter
name: Bouwes, Nicolaas
name: Brierley, Gary
name: Jordan, Chris
Publisher: name: Taylor & Francis
Year: 2017
Subjects: subject: Cell Biology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: Ecology
subject: FOS: Biological sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: Marine Biology
subject: Science Policy

description: A geomorphic assessment of the Middle Fork John Day Watershed, Oregon, USA, was used to generate a hierarchical, map-based understanding of watershed impairments and potential opportunities for improvements. Specifically, we (1) assessed river diversity (character and behavior) and patterns of reach types (and their controls); (2) evaluated the geomorphic condition of the streams; (3) interpreted their geomorphic recovery potential; and (4) synthesized the above into a hypothetical, strategic management plan. Collectively, these maps can set bounds and provide realistic guidance for river rehabilitation, design and implementation efforts. Fifteen distinct reach types were identified, two-thirds of which are found along perennial streams. On the basis of a variety of geo-indicators, approximately two-thirds of all perennial stream reaches were found to be in ‘good’ geomorphic condition, whereas one-third had departed to ‘moderate’ and ‘poor’ condition. Departures from ‘good’ condition were primarily related to riparian vegetation removal, conversion of floodplain to agricultural land uses (farming and grazing), logging, and channel bed dredge mining for gold. Encouragingly, the majority of reaches classified as being in moderate geomorphic condition were found to have high recovery potential. While our geomorphic assessment has practical utility for informing physically realistic expectation management for efforts like salmonid habitat restoration, the maps themselves are the key vehicle for communicating and visualizing among stakeholders.
Hovering
Creators: name: Engels, Thomas
name: Onishi, Ryo
name: Ravi, Sridhar
name: Jakobi, Timothy
name: Farge, Marie
name: Ueyama, Kohei
name: Kolomenskiy, Dmitry
name: Liu, Hao
name: Schneider, Kai
name: Xu, Ru
name: Sesterhenn, Joern
Publisher: name: OSF Registries
Year: 2018

description: Videos taken by Kohei Ueyama, Tim Jacobi and Sridhar Ravi, December 2015 and May 2016
Additional file 5 of Safety and tolerability of nintedanib in patients with progressive fibrosing interstitial lung diseases: data from the randomized controlled INBUILD trial
Creators: name: Cottin, Vincent
name: Martinez, Fernando J.
name: Jenkins, R. Gisli
name: Belperio, John A.
name: Kitamura, Hideya
name: Molina-Molina, Maria
name: Tschoepe, Inga
name: Coeck, Carl
name: Lievens, Dirk
name: Costabel, Ulrich
Publisher: name: figshare
Year: 2022
Subjects: subject: Medicine
subject: Pharmacology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: Cancer
subject: Science Policy
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology
subject: FOS: Biological sciences

description: Additional file 5: Table S4. Most frequent adverse events in the INBUILD trial in subgroups by sex. Table S5. Most frequent adverse events in the INBUILD trial in subgroups by age at baseline. Table S6. Most frequent adverse events in the INBUILD trial in subgroups by race. Table S7. Most frequent adverse events in the INBUILD trial in subgroups by weight at baseline.
Forward flight through a lateral planar jet
Creators: name: Onishi, Ryo
name: Ueyama, Kohei
name: Ravi, Sridhar
name: Jakobi, Timothy
name: Engels, Thomas
name: Farge, Marie
name: Kolomenskiy, Dmitry
name: Liu, Hao
name: Schneider, Kai
name: Xu, Ru
name: Sesterhenn, Joern
Publisher: name: OSF Registries
Year: 2018

description: Videos taken by Tim Jacobi and Sridhar Ravi, May 2016
Computational studies on amino-type excited-state intramolecular proton transfer and subsequent cis–trans isomerisation reactions of three 2-(2'-aminophenyl)benzothiazole derivatives
Creators: name: Zhu, Qiuling
name: An, Beibei
name: Yuan, Huijuan
name: Li, Yuanyuan
name: Guo, Xugeng
name: Zhang, Jinglai
Publisher: name: Taylor & Francis
Year: 2016
Subjects: subject: Biophysics
subject: Biochemistry
subject: Physical Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Biological Sciences not elsewhere classified
subject: Developmental Biology
subject: Infectious Diseases
subject: FOS: Health sciences

description: Excited-state intramolecular proton transfer (ESIPT) reactions of three amino-type 2-(2'-aminophenyl)benzothiazole (PBT-NH2) derivatives, that is, 2-(2'-methylaminophenyl)benzothiazole (PBT-NHMe), 2-(2'-acetylaminophenyl)benzothiazole (PBT-NHAc) and 2-(2'-tosylaminophenyl)benzothiazole (PBT-NHTs), have been explored by the time-dependent density functional theory (TD-DFT) method with the B3LYP density functional. In addition, their absorption and fluorescence spectra were also simulated at the same theoretical level. The present studies reveal that the energy barriers of the first singlet excited state of the three titled compounds along the ESIPT reactions are predicted at 0.39, 0.30 and 0.12 eV, respectively, suggesting that the inclusion of a strong electron-withdrawing tosyl group can remarkably facilitate the occurrence of the ESIPT reaction, while the involvement of an electron-donating methyl group has no effect on the ESIPT process of the amino-type hydrogen-bonding system. Following the ESIPT, both PBT-NHAc and PBT-NHTs molecules can also undergo the cis–trans isomerisation reactions along the C2–C3 bond between benzothiazole and phenyl moieties, in which the energy barriers of the trans-tautomer → cis-tautomer isomerisations in both ground states are calculated at 0.33 and 0.27 eV, respectively. This implies that there may exist a long-lived trans-tautomer species in the ground states for PBT-NHAc and PBT-NHTs, as observed in the spectroscopic experiments of PBT-NHTs.
Additional file 6 of Safety and tolerability of nintedanib in patients with progressive fibrosing interstitial lung diseases: data from the randomized controlled INBUILD trial
Creators: name: Cottin, Vincent
name: Martinez, Fernando J.
name: Jenkins, R. Gisli
name: Belperio, John A.
name: Kitamura, Hideya
name: Molina-Molina, Maria
name: Tschoepe, Inga
name: Coeck, Carl
name: Lievens, Dirk
name: Costabel, Ulrich
Publisher: name: figshare
Year: 2022
Subjects: subject: Medicine
subject: Pharmacology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: Cancer
subject: Science Policy
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology
subject: FOS: Biological sciences

description: Additional file 6: Table S8. Most frequent serious adverse events in the INBUILD trial.
Effectiveness of hand washing on the removal of iron oxide nanoparticles from human skin ex vivo
Creators: name: Nastassja A. Lewinski
name: Berthet, Aurélie
name: Maurizi, Lionel
name: Eisenbeis, Antoine
name: Hopf, Nancy B.
Publisher: name: Taylor & Francis
Year: 2017
Subjects: subject: Space Science
subject: Medicine
subject: Physiology
subject: FOS: Biological sciences
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: Ecology
subject: Immunology
subject: FOS: Clinical medicine
subject: 69999 Biological Sciences not elsewhere classified
subject: Developmental Biology
subject: Science Policy
subject: 110309 Infectious Diseases
subject: FOS: Health sciences

description: In this study, the effectiveness of washing with soap and water in removing nanoparticles from exposed skin was investigated. Dry, nanoscale hematite (α-Fe2O3) or maghemite (γ-Fe2O3) powder, with primary particle diameters between 20–30 nm, were applied to two samples each of fresh and frozen ex vivo human skin in two independent experiments. The permeation of nanoparticles through skin, and the removal of nanoparticles after washing with soap and water were investigated. Bare iron oxide nanoparticles remained primarily on the surface of the skin, without penetrating beyond the stratum corneum. Skin exposed to iron oxide nanoparticles for 1 and 20 hr resulted in removal of 85% and 90%, respectively, of the original dose after washing. In the event of dermal exposure to chemicals, removal is essential to avoid potential local irritation or permeation across skin. Although manufactured at an industrial scale and used extensively in laboratory experiments, limited data are available on the removal of engineered nanoparticles after skin contact. Our finding raises questions about the potential consequences of nanoparticles remaining on the skin and whether alternative washing methods should be proposed. Further studies on skin decontamination beyond use of soap and water are needed to improve the understanding of the potential health consequences of dermal exposure to nanoparticles.
Efficient copper-catalyzed Sonogashira coupling reactions and simulation studies
Creators: name: Ali, Imran
name: Dnyaneshwar Nighot
name: Lone, Mohammad Nadeem
name: Jain, Arvind
Publisher: name: Taylor & Francis
Year: 2017
Subjects: subject: Biophysics
subject: Biochemistry
subject: Biotechnology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences

description: A practical copper-catalyzed I-substitutions of alkyl-2-iodobenzoates with alkynes have been developed using Cu powder as a catalyst under solvent, cocatalyst, and base-free conditions. This reaction system is new, facile, efficient, and economical that gives Sonogashira coupling products in excellent yields (up to 97%). The coupled products (A–J) were characterized by CHNS, 1H NMR, and 13C NMR and are found soluble in ethyl acetate and dichloromethane. In addition, simulation studies of A–J were performed with aspulvinone dimethylallyltransferase enzyme and observe good binding affinity. The reported compounds may act as anti-cizmatics, anti-fobic in future and also have the inhibition of aspulvinone dimethylallyltransferase properties to control Alzheimer’s, Schizophrenia, etc. diseases.
Multimorbidities of asthma, allergies, and airway illnesses in childhood: Chance or not chance?
Creators: name: Liu, Wei
name: Huang, Chen
name: Wang, Xueying
name: Cai, Jiao
name: Hu, Yu
name: Zou, Zhijun
name: B. Weschler, Louise
name: Shen, Li
name: Sundell, Jan
Publisher: name: Taylor & Francis
Year: 2017
Subjects: subject: Medicine
subject: Immunology
subject: FOS: Clinical medicine
subject: Biological Sciences not elsewhere classified
subject: Science Policy

description: Objectives: We investigated patterns of multimorbidities among asthma, allergies, and respiratory illnesses in preschool children. We investigated multimorbidities of lifetime asthma, allergic rhinitis, eczema, food allergy, pneumonia, and ear infections; and multimorbidities of current (in the last year before the survey) wheeze, dry cough, rhinitis, eczema, and common cold during childhood. We further analyzed whether prevalences of these multimorbidities were due to chance. Methods: A cross-sectional study was conducted in 72 kindergartens of Shanghai, China. Parents of preschool children were surveyed with a modified ISAAC questionnaire. Observed prevalences (OPs), expected prevalences (EPs), absolute excess comorbidities (AECs), and relative excess comorbidities (RECs) of various combinations of illnesses were calculated to indicate whether the combined illnesses were related. Results: We analyzed questionnaires for children aged 4–6 years, whose 13,335 questionnaires were the majority of the total 15,266 returned questionnaires (response rate: 85.3%). The studied illnesses were common. For children who had more than three lifetime or current illnesses, OPs tended to be higher than EPs. Most OPs and EPs were higher in boys than in girls, and were higher in children with a family history of atopy (FHA) than in children without FHA. AECs and RECs between boys and girls as well as between children with and without FHA were substantially different. Conclusions: Our findings suggest that multimorbidities among childhood asthma, allergies, and respiratory illnesses are likely not random, but rather share etiology. Specific patterns of childhood asthma multimorbidities perhaps differ between boys and girls and between children with and without FHA.
Development of a thoracic personal sampler system for co-sampling of sulfuric acid mist and sulfur dioxide gas
Creators: name: Chih-Hsiang Chien
name: Theodore, Alexandros
name: Chufan Zhou
name: Wu, Chang-Yu
name: Hsu, Yu-Mei
name: Birky, Brian
Publisher: name: Taylor & Francis
Year: 2017
Subjects: subject: Space Science
subject: Microbiology
subject: FOS: Biological sciences
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: Science Policy
subject: Hematology

description: A novel personal sampler was designed to measure inorganic acid mists and gases for determining human exposure levels to these acids in workplaces. This sampler consists of (1) a parallel impactor for classifying aerosol by size following the ISO/CEN/ACGIH defined human thoracic fraction, (2) a cellulose filter to collect the residual acid mist but allowing penetration of sulfur dioxide gas, and (3) an accordion-shaped porous membrane denuder (aPMD) for adsorbing the penetrating sulfur dioxide gas. Acid-resistant PTFE was chosen as the housing material to minimize sampling interference. To test the performance of the parallel impactor, monodisperse aerosol was created by a vibrating orifice aerosol generator. The results showed that the penetration curve of the impactor run at 2 LPM flow rate agreed well with the defined thoracic fraction. Almost all sampling biases were within 10% for particle size distributions with MMAD between 1–25 µm and GSD between 1.75–4, which meets the criteria of the EN 13205 standard. To evaluate the performance of the aPMDs, sulfur dioxide gas was sourced directly from a cylinder. The aPMDs maintained a gas collection efficiency greater than 95% for 4 hr when sampling 8.6 ppm of sulfur dioxide gas. While the aPMD had similar performance to the commonly adopted annular or honeycomb denuders made of glass, this shatterproof aPMD is only half of the volume and 1/25th the weight of the honeycomb denuder. Testing of the entire sampler with a mixture of sulfuric acid mist and sulfur dioxide gas showed the system could sample both with negligible interference. All the test results illustrate that the new sampler, which is flat, lightweight, and portable, is suitable for personal use and is capable of a more accurate assessment of human exposure to inorganic acid mist and SO2 gas.
Synthesis of rhodanine-derived enaminones in aqueous medium
Creators: name: N. S. Devi
name: Nirada Devi
Publisher: name: Taylor & Francis
Year: 2017
Subjects: subject: Biochemistry
subject: Medicine
subject: Molecular Biology
subject: Biotechnology
subject: Sociology
subject: FOS: Sociology
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology
subject: FOS: Biological sciences

description: The synthesis of rhodanine-derived enaminones has been reported by the reaction of ketene S,S-acetal rhodanine and amine in water under reflux condition. The present methodology includes mild reaction conditions, shorter reaction times, high yield and facile isolation of the desired products by simple filtration.
Additional file 7 of Safety and tolerability of nintedanib in patients with progressive fibrosing interstitial lung diseases: data from the randomized controlled INBUILD trial
Creators: name: Cottin, Vincent
name: Martinez, Fernando J.
name: Jenkins, R. Gisli
name: Belperio, John A.
name: Kitamura, Hideya
name: Molina-Molina, Maria
name: Tschoepe, Inga
name: Coeck, Carl
name: Lievens, Dirk
name: Costabel, Ulrich
Publisher: name: figshare
Year: 2022
Subjects: subject: Medicine
subject: Pharmacology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: Cancer
subject: Science Policy
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology
subject: FOS: Biological sciences

description: Additional file 7: Table S9. Bleeding adverse events in the INBUILD trial.
Z- and E-selective Horner–Wadsworth–Emmons reactions
Creators: name: Molnár, Katalin
name: Takács, László
name: Kádár, Mihály
name: Faigl, Ferenc
name: Kardos, Zsuzsanna
Publisher: name: Taylor & Francis
Year: 2017
Subjects: subject: Biochemistry
subject: Medicine
subject: Genetics
subject: FOS: Biological sciences
subject: Biotechnology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: 110309 Infectious Diseases
subject: FOS: Health sciences

description: In the present work, we determined and evaluated the stereochemical outcome of the Horner–Wadsworth–Emmons (HWE) reaction of 2-oxoalkylphosphonates with different ester functions (bis(2,2,2-trifluoroethyl), 2,2,2-trifluoroethyl methyl, dimethyl) and side chains (aliphatic, aromatic) with three different aldehydes (benzaldehyde, THP- and PPB-protected Corey aldehydes) under two reaction conditions. The “trans” protocol is generally used in the E-selective HWE reactions, while “cis” protocol promotes the Z-selectivity.
Multimorbidities of Asthma, Allergies, and Airway Illnesses in Childhood: Chance or not Chance?
Creators: name: Liu, Wei
name: Huang, Chen
name: Wang, Xueying
name: Cai, Jiao
name: Hu, Yu
name: Zou, Zhijun
name: B. Weschler, Louise
name: Shen, Li
name: Sundell, Jan
Publisher: name: Taylor & Francis
Year: 2016
Subjects: Medicine
Biological Sciences not elsewhere classified
Science Policy

description: Objectives: We investigated patterns of multimorbidities among asthma, allergies, and respiratory illnesses in preschool children. We examined lifetime multimorbidities of asthma, allergic rhinitis, eczema, food allergy, pneumonia, and ear infections; and current (in the last year before the survey) multimorbidities of wheeze, dry cough, rhinitis, eczema, and common cold during childhood. We further analyzed whether prevalences of these multimorbidities were due to chance. Methods: A cross-sectional study was conducted in 72 kindergartens of Shanghai, China. Parents of preschool children were surveyed with a modified ISAAC questionnaire. Observed prevalences (OPs), expected prevalences (EPs), absolute excess comorbidities (AECs), and relative excess comorbidities (RECs) of various combinations of illnesses were calculated to indicate whether the combined illnesses were related. Results: We analyzed questionnaires for children 4–6 years-old, whose 13,335 questionnaires were the majority of the total 15,266 returned questionnaires (response rate: 85.3%). The studied illnesses were common. For children who had had more than three lifetime or current illnesses, OPs tended to be higher than EPs. Most OPs and EPs were higher in boys than in girls, and were higher in children with a family history of atopy (FHA) than in children without FHA. AECs and RECs between boys and girls as well as between children with and without FHA were substantially different. Conclusions: Our findings suggest that multimorbidities among childhood asthma, allergies, and respiratory illnesses are likely not random, but rather share etiology. Specific patterns of childhood asthma multimorbidities perhaps differ between boys and girls and between children with and without FHA.
Additional file 8 of Safety and tolerability of nintedanib in patients with progressive fibrosing interstitial lung diseases: data from the randomized controlled INBUILD trial
Creators: name: Cottin, Vincent
name: Martinez, Fernando J.
name: Jenkins, R. Gisli
name: Belperio, John A.
name: Kitamura, Hideya
name: Molina-Molina, Maria
name: Tschoepe, Inga
name: Coeck, Carl
name: Lievens, Dirk
name: Costabel, Ulrich
Publisher: name: figshare
Year: 2022
Subjects: subject: Medicine
subject: Pharmacology
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: Immunology
subject: FOS: Clinical medicine
subject: Cancer
subject: Science Policy
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology
subject: FOS: Biological sciences

description: Additional file 8: Table S10. Cardiovascular events in the INBUILD trial.
Identification and determination of isoflavones in germinated black soybean sprouts by UHPLC−Q-TOF-MS mass spectrometry and HPLC-DAD
Creators: name: Ren, Qiang
name: Wang, Jian-an
name: Liu, Shu-ling
name: Wang, Fang
name: Wang, Hui-yun
Publisher: name: Taylor & Francis
Year: 2016
Subjects: subject: Biochemistry
subject: Space Science
subject: Medicine
subject: Cell Biology
subject: Physiology
subject: FOS: Biological sciences
subject: Environmental Sciences not elsewhere classified
subject: Chemical Sciences not elsewhere classified
subject: Ecology
subject: Biological Sciences not elsewhere classified
subject: Plant Biology

description: Ultra-performance liquid chromatography coupled with electrospray ionization tandem quadrupole time-of-flight mass spectrometry (UHPLC−Q-TOF-MS) and HPLC-DAD with an ultrasonic extraction method was developed for qualitative and quantitative compositions and contents in black soybean sprouts. Operational conditions of ultrasonic extraction were optimized by single-factor experiment. Phytochemical compositions of black soybean sprouts were identified by UHPLC−Q-TOF-MS in positive ion mode. A total of 23 compounds were tentatively characterized and identified by means of accurate mass and characteristic fragment ions. Among of them, the six isoflavones in different germinated black soybean sprouts were further quantified by HPLC-DAD. The results indicated that the calibration curves showed good linearity (r2 > 0.9994). The intra-day and inter-day precision variations were less than 1.65% and 1.73%, respectively. The recoveries were in the range of 94.95–106.45%. The results indicated that the maximum amounts of isoflavones were produced on the fourth to fifth day germinated black soybean sprouts.
Synthesis of Rhodanine Derived Enaminones in Aqueous Medium
Creators: name: N. S. Devi
name: Nirada Devi
Publisher: name: Taylor & Francis
Year: 2017
Subjects: subject: Biochemistry
subject: Medicine
subject: Molecular Biology
subject: Biotechnology
subject: Sociology
subject: FOS: Sociology
subject: 110309 Infectious Diseases
subject: FOS: Health sciences
subject: 60506 Virology
subject: FOS: Biological sciences

description: The synthesis of rhodanine derived enaminones has been reported by reaction of ketene S,S-acetals rhodanine and amine in water under reflux condition. The present methodology is mild reaction conditions, shorter reaction times, high yield and facile isolation of the desired products by simple filtration.
title: Atelier du numérique : Gestion des données de la recherche
Creators: name: LabexMed
Publisher: name: NAKALA - https://nakala.fr (Huma-Num - CNRS)
publisherIdentifier: https://ror.org/04ces3204
publisherIdentifierScheme: ROR
Year: 2017

description: Affiche de la formation Atelier du numérique : Gestion des données de la recherche du 29 septembre 2017
description: Relation: https://labexmed.hypotheses.org/2532
description: date: 29/09/2017
An Efficient Copper Catalyzed Sonogashira Coupling Reactions and Simulation Studies
Creators: name: Ali, Imran
name: Dnyaneshwar Nighot
name: Lone, Mohammad Nadeem
name: Jain, Arvind
Publisher: name: Taylor & Francis
Year: 2017
Subjects: subject: Biophysics
subject: Biochemistry
subject: Biotechnology
subject: 59999 Environmental Sciences not elsewhere classified
subject: FOS: Earth and related environmental sciences
subject: 39999 Chemical Sciences not elsewhere classified
subject: FOS: Chemical sciences
subject: 69999 Biological Sciences not elsewhere classified
subject: FOS: Biological sciences

description: A practical copper catalyzed I-substitutions of alkyl-2-iodobenzoates with 1-octynes have been developed using Cu powder as a catalyst under solvent, co-catalyst, and base free conditions. This reaction system is new, facile, efficient, and economical that gives Sonogashira coupling products in excellent yields (up to 97%). The coupled products (A-J) were characterized by CHNS, 1H NMR and 13C NMR and are found soluble in ethyl acetate and dichloromethane. In addition, simulation studies of A-J were carried out with aspulvinone dimethylallyltransferase enzyme and observe good binding affinity. The reported compounds may be future anti-cizmatics, anti-fobic disorder and inhibition of aspulvinone dimethylallyltransferase properties to control Alzheimer's, Schizophrenia etc. diseases.
Tailoring of energetic groups in acroyloyl polymers
Creators: name: Kumar, Deepak
name: Yamajala, K. Durga Bhaskar
name: Samui, Asit B.
name: Banerjee, Shaibal
Publisher: name: Taylor & Francis
Year: 2016
Subjects: Biophysics
Biochemistry
Physical Sciences not elsewhere classified
Medicine
Chemical Sciences not elsewhere classified
Mental Health
Virology
Computational Biology

description: Acryloyl based novel energetic monomers having nitro acrylates and nitro triazole acrylates were synthesized and further used for polymerization. Due to scavanging properties of nitro groups, syntheses of nitro aromatic polymers are not facile at normal conditions. In this regard, we report a simple protocol to synthesize these energetic group embeded acroloyl polymers. These polymers were characterized by FTIR, and NMR spectroscopic techniques. gel permeation chromatography (GPC) technique was employed in order to understand molecular mass of these polymers along with average molecular weight, number average weight and poly dispersity index. Glass transition temperature (Tg) was determined by using DSC analysis. It was observed that with increase in nitro groups in polymers there is a decrease in glass transition temperature. Two steps degradation were depicted in the TGA thermograph in nitro containing polymers. Heat release during this reaction was found up to 951 J/g. Increase in nitrogen content in polymer unit enhanced the heat release of polymers.