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H2-free Semi-hydrogenation of Butadiene by the Atomic Sieving Effect of Pd Membrane with Tree-like Pd Dendrites Array

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Angewandte Chemie 2023年第38期135卷

作者： Yong-Qing Yan Zhao Wei Prof. Zhao Wang Yao Li Wei-Hao Wang Bo Jiang Prof. Bao-Lian Su Laboratory of Living Materials the State Key Laboratory of Advanced Technology for Material Synthesis and Processing Wuhan University of Technology Wuhan 430070 Hubei China Contribution: Data curation (lead) Formal analysis (lead) Investigation (lead) Methodology (lead) Writing - original draft (lead) Writing - review & editing (supporting) Contribution: Conceptualization (equal) Data curation (equal) Formal analysis (equal) Investigation (equal) Methodology (equal) Validation (equal) Writing - original draft (equal) Writing - review & editing (equal) Foshan Xianhu Laboratory of the Advanced Energy Science and Technology Guangdong Laboratory Guangdong Laboratory Xianhu Hydrogen Valley Foshan 528200 P. R. China Contribution: Conceptualization (lead) Data curation (lead) Formal analysis (lead) Funding acquisition (lead) Investigation (lead) Methodology (lead) Project administration (lead) Resources (lead) Supervision (lead) Validation (lead) Visualization (lead) Writing - original draft (lead) Writing - review & editing (lead) Contribution: Data curation (supporting) Formal analysis (supporting) Investigation (supporting) Writing - original draft (supporting) Writing - review & editing (supporting) Contribution: Data curation (supporting) Formal analysis (supporting) Investigation (supporting) Writing - original draft (supporting) Laboratory of Inorganic Materials Chemistry (CMI) University of Namur 61 rue de Bruxelles 5000 Namur Belgium

H 2 -free semi-hydrogenation at room temperature shows great advantage for replacing the thermocatalytic process in industry owing to the high energy and resource saving, however, remains great challenges. Herein, a tree-like Pd dendrites array decorated Pd membrane was constructed as the core device in an electrochemistry assisted gas-fed membrane reactor for butadiene semi-hydrogenation. It reveals that hydrogen atomic sieving effect of this Pd-based membrane under electrochemical condition was the key for semi-hydrogenation. The configuration study of Pd nanostructured membrane demonstrates that the penetration of hydrogen atoms through Pd membrane from electrochemical side to chemical side is affected by the consumption of hydrogen atom in semi-hydrogenation step. Such atomic sieving property of nanostructured Pd membrane with 5.1 times increase in catalytic active surface area brings above 14 times higher in butadiene conversion than that of bare Pd foil, with ≈90 % of butenes selectivity at butadiene conversion ≈98 % over 300 h of H 2 -free reaction under 15 mA cm −2 .

关键词： 1,3-Butadiene Pd Membrane Semi-Hydrogenation Unsaturated Hydrocarbons Water Electrolysis

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A Physical Organic Approach towards Statistical Modeling of Tetrazole and Azide Decomposition**

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Angewandte Chemie 2023年第17期135卷

作者： Jonas Rein Jonathan M. Meinhardt Dr. Julie L. Hofstra Wahlman Prof. Matthew S. Sigman Prof. Song Lin Department of Chemistry and Chemical Biology Cornell University Ithaca NY 14853 USA Contribution: Conceptualization (supporting) Data curation (lead) Formal analysis (lead) Investigation (lead) Methodology (lead) Validation (lead) Visualization (lead) Writing - original draft (lead) Writing - review & editing (lead) Contribution: Data curation (lead) Formal analysis (lead) Methodology (lead) Writing - original draft (lead) Writing - review & editing (supporting) Department of Chemistry University of Utah Salt Lake City UT 84112 USA Contribution: Formal analysis (supporting) Methodology (supporting) Writing - original draft (supporting) Contribution: Conceptualization (lead) Funding acquisition (lead) Project administration (lead) Resources (lead) Supervision (lead) Writing - original draft (supporting) Writing - review & editing (lead)

Nitrogen atom-rich heterocycles and organic azides have found extensive use in many sectors of modern chemistry from drug discovery to energetic materials. The prediction and understanding of their energetic properties are thus key to the safe and effective application of these compounds. In this work, we disclose the use of multivariate linear regression modeling for the prediction of the decomposition temperature and impact sensitivity of structurally diverse tetrazoles and organic azides. We report a data-driven approach for property prediction featuring a collection of quantum mechanical parameters and computational workflows. The statistical models reported herein carry predictive accuracy as well as chemical interpretability. Model validation was successfully accomplished via tetrazole test sets with parameters generated exclusively in silico. Mechanistic analysis of the statistical models indicated distinct divergent pathways of thermal and impact-initiated decomposition.

关键词： Azides Energetic Materials Multivariant Linear Regression N-Heterocycles Tetrazoles

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Progress in research on orthorexia nervosa is still hampered by the use of the ORTO–15 and its modifications

Mental Health Science

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Mental Health Science 2023年第3期1卷

作者： Adrian Meule Department of Psychiatry and Psychotherapy University Hospital LMU Munich Munich Germany Schoen Clinic Roseneck Prien am Chiemsee Germany Institute of Medical Psychology Faculty of Medicine LMU Munich Munich Germany Contribution: Conceptualization (lead) Data curation (lead) Formal analysis (lead) Investigation (lead) Methodology (lead) Visualization (lead) Writing - original draft (lead) Writing - review & editing (lead)

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Multilayered nanocomposite coatings for enhanced anticorrosive, flame retardant, and mechanical properties in automobile and aerospace industries

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Journal of Applied Polymer Science 2023年第24期140卷

作者： Joseph Raj Xavier Department of Chemistry Saveetha School of Engineering Saveetha Institute of Medical and Technical Sciences Chennai India Contribution: Conceptualization (lead) Data curation (lead) Formal analysis (lead) Funding acquisition (lead) Investigation (lead) Methodology (lead) Project administration (lead) Resources (lead) Software (lead) Supervision (lead) Validation (lead) Visualization (lead) Writing - original draft (lead) Writing - review & editing (lead)

The anticorrosion, flame retardant, and mechanical properties of polyurethane (PU) coatings have been improved by the integration of nickel disulfide (NiS 2 ), 2,5-Bis(4-aminophenyl)-1,3,4-oxadiazole (BAO), and graphene oxide (GO). The structural, morphological, dielectric, and hydrophobic behaviors of the films were characterized for the different formulations of coatings such as pure PU, PU-NiS 2 , PU-BAO/NiS 2 , PU-GO/NiS 2 , and PU-GO/BAO-NiS 2 (nanocomposite) by means of scanning electron microscope/X-ray energy dispersive spectroscopy, transmission electron microscope, thermogravimetric analysis, X-ray photoelectron spectroscopy, X-ray diffraction, and contact angle measurement. As a result, with the addition of only 0.3% GO/BAO-NiS 2 , the dielectric constant of PU was increased by 81-fold at 1 Hz. Additionally, the nanocomposite had significantly lower peak heat release rate and overall heat released values than pure PU, a difference of 57% and 51%, respectively, demonstrating its greater flame retardancy. The electrochemical techniques and mechanical testing confirmed that GO/BAO-NiS 2 (0.3%) composite exhibit enhanced anticorrosive, hydrophobic, flame retardancy, and mechanical performance of the PU coating. The super hydrophobic behavior is confirmed by its water contact angle of 165°. Furthermore, the resistance of the nanocomposite was found to be much higher (16,985.6 kΩ.cm 2 ) than that of the pure PU (145.4 kΩ.cm 2 ) and the microhardness and tensile strength were increased sharply. Therefore, the nanocomposite could act as a potential coating material for industrial applications.

关键词： corrosion flame retardancy graphene oxide nanocomposite surface analysis

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Cover Image, Volume 139, Issue 33

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Journal of Applied Polymer Science 2022年第33期139卷

作者： Zahra Ayar Mehdi Shafieian Omid Sabzevari Zahra Hassannejad Contribution: Data curation (lead) Formal analysis (lead) Investigation (lead) Methodology (equal) Validation (equal) Writing - original draft (lead) Writing - review & editing (equal) Contribution: Conceptualization (equal) Writing - review & editing (equal) Visualization (equal) Supervision (equal) Contribution: Resources (equal) Writing - review & editing (equal) Contribution: Conceptualization (equal) Resources (lead) Writing - review & editing (equal) Visualization (equal) Supervision (equal)

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Bison-Fly: An open-source UAV pipeline for plant breeding data collection

The Plant Phenome Journal

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The Plant Phenome Journal 2022年第1期5卷

作者： Filipe Inácio Matias Andrew Green Jennifer A Lachowiec David LeBauer Max Feldman Dep. of Plant Sciences North Dakota State Univ. Loftsgard Hall 1661365 Bolley Dr. Fargo ND 58108 USA Filipe Inacio Matias Dep. of Plant Sciences North Dakota State Univ. Loftsgard Hall 1661365 Bolley Dr. Fargo ND 58108 USA. Contribution: Conceptualization Data curation Formal analysis Investigation Methodology Software Validation Visualization Writing - original draft Contribution: Data curation Funding acquisition Project administration Resources Supervision Visualization Writing - review & editing Dep. of Plant Sciences and Plant Pathology Montana State Univ. 119 Plant Biosciences Building Bozeman MT 59717 USA Contribution: Data curation Methodology Validation Visualization Writing - original draft Writing - review & editing Arizona Experiment Station Univ. of Arizona Tucson AZ 85138 USA Contribution: Methodology Validation Visualization USDA Prosser WA 99350 USA Contribution: Methodology Validation Visualization Writing - review & editing

Bison-Fly is the open-source pipeline of unoccupied aerial vehicle (UAV) applications for plant breeding developed by the Spring Wheat Breeding Program at North Dakota State University in partnership with the Drone2Phenome community. We present a step-by-step pipeline to collect, process, and apply UAV data for plant breeding to facilitate data processing, reduce errors, and create new traits. This open-source R code can be easily adapted for different crops and improved according to user requirements. In addition, Bison-Fly provides a free and complete dataset with (a) RGB, Multispectral, and Digital Surface Model orthomosaics from 15 time points throughout the season; (b) field trait data with experimental design; and (c) daily metadata with soil and weather information. We hope this pipeline helps guide students, researchers, and breeders on day-to-day activities. Bison-Fly is available at https://***/filipematias23/Bison-Fly .

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Cover Image

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Developmental Dynamics 2023年第5期252卷

作者： Ralf F. Schneider Joost M. Woltering Dominique Adriaens Olivia Roth Contribution: Conceptualization (equal) Data curation (lead) Formal analysis (lead) Investigation (lead) Methodology (lead) Project administration (equal) Resources (lead) Software (lead) Visualization (lead) Writing - original draft (lead) Writing - review & editing (equal) Contribution: Conceptualization (equal) Investigation (equal) Methodology (equal) Supervision (equal) Visualization (equal) Writing - review & editing (lead) Contribution: Conceptualization (equal) Methodology (equal) Supervision (equal) Writing - review & editing (equal) Contribution: Conceptualization (equal) Funding acquisition (lead) Methodology (equal) Project administration (equal) Resources (equal) Supervision (lead) Writing - review & editing (equal)

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Cover Image, Volume 58, Number 1, January 2023

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Pediatric Pulmonology 2022年第1期58卷

作者： Xiaoliao Tang Hong Ren Juan Qian Ying Wang Long Xiang Zhanqi Zhao Department of Critical Care Medicine Shanghai Children's Medical Center School of Medicine Shanghai Jiao Tong University Shanghai China Contribution: Data curation Investigation Writing - original draft Formal analysis Contribution: Writing - original draft Formal analysis Supervision Conceptualization Methodology Investigation Validation Writing - review & editing Contribution: Data curation Supervision Formal analysis Investigation Methodology Writing - original draft Contribution: Supervision Investigation Validation Formal analysis Conceptualization Methodology Project administration Writing - review & editing Resources Department of Neonatology Second People's Hospital of Kashgar Xinjiang Uygur Autonomous Region China Contribution: Funding acquisition Formal analysis Supervision Project administration Conceptualization Software Methodology Investigation Visualization Resources Writing - review & editing Department of Biomedical Engineering Fourth Military Medical University Xi'an China Institute of Technical Medicine Furtwangen University Villingen-Schwenningen Germany Contribution: Project administration Supervision Resources Software Validation Investigation Conceptualization Methodology Writing - review & editing Visualization Formal analysis

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CombiningMN6Octahedra and PN5Trigonal Bipyramids in the Mica-like NitridophosphatesMP6N11(M=Al, In)

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Angewandte Chemie 2023年第24期135卷

作者： Sebastian J. Ambach Monika Pointner Sophie Falkai Dr. Carsten Paulmann Prof. Dr. Oliver Oeckler Prof. Dr. Wolfgang Schnick Department of Chemistry University of Munich (LMU) Butenandtstraße 5–13 81377 Munich Germany Contribution: Data curation (lead) Formal analysis (lead) Investigation (lead) Validation (equal) Visualization (lead) Writing - original draft (lead) Writing - review & editing (lead) Contribution: Data curation (supporting) Formal analysis (supporting) Investigation (supporting) Visualization (supporting) Writing - review & editing (supporting) Contribution: Formal analysis (supporting) Investigation (supporting) Writing - review & editing (supporting) Institute for Mineralogy Crystallography and Petrography University of Hamburg Grindelallee 48 20146 Hamburg Germany Contribution: Investigation (supporting) Faculty of Chemistry and Mineralogy Leipzig University Scharnhorstraße 20 04275 Leipzig Germany Contribution: Funding acquisition (supporting) Investigation (supporting) Project administration (supporting) Supervision (equal) Writing - review & editing (supporting) Contribution: Conceptualization (lead) Funding acquisition (lead) Project administration (lead) Resources (lead) Supervision (lead) Validation (equal) Writing - original draft (supporting) Writing - review & editing (equal)

Layered silicates are a very versatile class of materials with high importance to humanity. The new nitridophosphates M P 6 N 11 ( M =Al, In), synthesized from M Cl 3 , P 3 N 5 and NH 4 N 3 in a high-pressure high-temperature reaction at 1100 °C and 8 GPa, show a mica-like layer setup and feature rare nitrogen coordination motifs. The crystal structure of AlP 6 N 11 was elucidated from synchrotron single-crystal diffraction data (space group Cm (no. 8), a =4.9354(10), b =8.1608(16), c =9.0401(18) Å, β =98.63(3)°), enabling Rietveld refinement of isotypic InP 6 N 11 . It is built up from layers of PN 4 tetrahedra, PN 5 trigonal bipyramids and M N 6 octahedra. PN 5 trigonal bipyramids have been reported only once and M N 6 octahedra are sparsely found in the literature. AlP 6 N 11 was further characterized by energy-dispersive X-ray (EDX), IR and NMR spectroscopy. Despite the vast amount of known layered silicates, there is no isostructural compound to M P 6 N 11 as yet.

关键词： Aluminum High-Pressure Chemistry Layered Structures Nitrides Nitridophosphate

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Cover Image

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Developmental Dynamics 2023年第4期252卷

作者： Sarah N. Lipp Kathryn R. Jacobson Andrew L. Schwaderer David S. Hains Sarah Calve Contribution: Conceptualization (lead) Formal analysis (lead) Investigation (lead) Methodology (equal) Validation (lead) Visualization (lead) Writing - original draft (lead) Writing - review & editing (equal) Contribution: Data curation (supporting) Formal analysis (supporting) Writing - original draft (supporting) Writing - review & editing (supporting) Contribution: Conceptualization (supporting) Writing - original draft (supporting) Writing - review & editing (supporting) Contribution: Conceptualization (supporting) Funding acquisition (lead) Project administration (lead) Supervision (lead) Writing - original draft (equal) Writing - review & editing (equal)

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