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Stepping Out of the Blue: From Visible to Near-IR Triggered Photoswitches

Angewandte Chemie 2022年第31期134卷

作者： Dr. Zhiwei Zhang Wenhui Wang Dr. Michael O'Hagan Jinghong Dai Dr. Junji Zhang Prof. He Tian Key Laboratory for Advanced Materials and Joint International Research Laboratory of Precision Chemistry and Molecular Engineering Feringa Nobel Prize Scientist Joint Research Center Frontiers Science Center for Materiobiology and Dynamic Chemistry Institute of Fine Chemicals School of Chemistry and Molecular Engineering East China University of Science and Technology Shanghai 200237 China Institute of Chemistry The Minerva Center for Bio-hybrid Complex Systems The Hebrew University of Jerusalem Jerusalem 91904 Israel

Light offers unique opportunities for controlling the activity of materials and biosystems with high spatiotemporal resolution. Molecular photoswitches are chromophores that undergo reversible isomerization between different states upon irradiation with light, allowing a convenient means to control their influence over the system of interest. However, a significant limitation of classical photoswitches is the requirement to initiate the switching in one or both directions using deleterious UV light with poor tissue penetration. Red-shifted photoswitches are hence in high demand and have attracted keen recent research interest. In this Review, we highlight recent progress towards the development of visible- and NIR-activated photoswitches characterized by distinct photochromic reaction mechanisms. We hope to inspire further endeavors in this field, allowing the full potential of these tools in biotechnology and materials chemistry applications to be realized.

关键词： Near-Infrared Light Photochromism Photoswitches Visible Light

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Analyses of protein cores reveal fundamental differences between solution and crystal structures

arXiv

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arXiv 2019年

作者： Mei, Zhe Treado, John D. Grigas, Alex T. Levine, Zachary A. Regan, Lynne O'Hern, Corey S. Integrated Graduate Program in Physical & Engineering Biology Yale University New HavenCT06520 United States Department of Chemistry Yale University New HavenCT06520 United States Department of Mechanical Engineering & Materials Science Yale University New HavenCT06520 United States Graduate Program in Computational Biology & Bioinformatics Yale University New HavenCT06520 United States Department of Pathology Yale University New HavenCT06520 United States Department of Molecular Biophysics and Biochemistry Yale University New HavenCT06520 United States Institute of Quantitative Biology Biochemistry and Biotechnology Center for Synthetic and Systems Biology School of Biological Sciences University of Edinburgh Department of Physics Yale University New HavenCT06520 United States Department of Applied Physics Yale University New HavenCT06520 United States

There have been several studies suggesting that protein structures solved by NMR spectroscopy and x-ray crystallography show significant differences. To understand the origin of these differences, we assembled a database of high-quality protein structures solved by both methods. We also find significant differences between NMR and crystal structures|in the root-mean-square deviations of the Cα atomic positions, identities of core amino acids, backbone and sidechain dihedral angles, and packing fraction of core residues. In contrast to prior studies, we identify the physical basis for these differences by modelling protein cores as jammed packings of amino-acid-shaped particles. We find that we can tune the jammed packing fraction by varying the degree of thermalization used to generate the packings. For an athermal protocol, we find that the average jammed packing fraction is identical to that observed in the cores of protein structures solved by x-ray crystallography. In contrast, highly thermalized packing-generation protocols yield jammed packing fractions that are even higher than those observed in NMR structures. These results indicate that thermalized systems can pack more densely than athermal systems, which suggests a physical basis for the structural differences between protein structures solved by NMR and x-ray crystallography. Copyright © 2019, The Authors. All rights reserved.

关键词： X ray crystallography

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Using physical features of protein core packing to distinguish real proteins from decoys

arXiv

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arXiv 2020年

作者： Grigas, Alex T. Mei, Zhe Treado, John D. Levine, Zachary A. Regan, Lynne O'Hern, Corey S. Graduate Program in Computational Biology and Bioinformatics Yale University New HavenCT06520 United States Integrated Graduate Program in Physical and Engineering Biology Yale University New HavenCT06520 United States Department of Chemistry Yale University New HavenCT06520 United States Department of Mechanical Engineering and Materials Science Yale University New HavenCT06520 United States Department of Pathology Yale University New HavenCT06520 United States Department of Molecular Biophysics and Biochemistry Yale University New HavenCT06520 United States Institute of Quantitative Biology Biochemistry and Biotechnology Centre for Synthetic and Systems Biology School of Biological Sciences University of Edinburgh Department of Physics Yale University New HavenCT06520 United States Department of Applied Physics Yale University New HavenCT06520 United States

The ability to consistently distinguish real protein structures from computationally generated model decoys is not yet a solved problem. One route to distinguish real protein structures from decoys is to delineate the important physical features that specify a real protein. For example, it has long been appreciated that the hydrophobic cores of proteins contribute signifficantly to their stability. As a dataset of decoys to compare with real protein structures, we studied submissions to the bi-annual CASP competition (speciffically CASP11, 12, and 13), in which researchers attempt to predict the structure of a protein only knowing its amino acid sequence. Our analysis reveals that many of the submissions possess cores that do not recapitulate the features that define real proteins. In particular, the model structures appear more densely packed (because of energetically unfavorable atomic overlaps), contain too few residues in the core, and have improper distributions of hydrophobic residues throughout the structure. Based on these observations, we developed a deep learning method, which incorporates key physical features of protein cores, to predict how well a computational model recapitulates the real protein structure without knowledge of the structure of the target sequence. By identifying the important features of protein structure, our method is able to rank decoys from the CASP competitions equally well, if not better than, state-of-the-art methods that incorporate many additional features. Copyright © 2020, The Authors. All rights reserved.

关键词： Proteins

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Comparison study of the flux pinning enhancement of YBCO superconductor with BZO and BZO + Y2O3 mixed phase additions

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IOP Conference Series: materials science and engineering 2017年第1期279卷

作者： M A Sebastian C Ebbing W Zhang J Huang H Wang S Chen B Gautum J Wu T Haugan U.S. Air Force Research Laboratory Aerospace Systems Directorate WPAFB OH 45433 USA UDRI University of Dayton OH 45469 USA Materials Science and Engineering Program Texas A&M College Station TX 77843 USA School of Materials Engineering Purdue University West Lafayette IN 47907 USA Department of Physics & Astronomy the University of Kansas Lawrence Kansas 66045 USA

Adding nanophase defects to YBa2Cu3O7-δ (YBCO) superconductor thin films is well-known to enhance flux pinning, resulting in an increase in current density (J ct ). While many previous studies focused on single phase additions, the addition of several phases simultaneously shows promise in improving current density by combining different pinning mechanisms. This paper compares the effect of the addition of two insulating, nonreactive phases of barium zirconium oxide (BZO) and yttrium oxide Y2O3, both as a single addition of BZO and as a double addition in conjunction with Y2O3. Processing parameters vary the target composition volume percent of BZO from 2-6 vol. %, while maintaining 3 vol. % Y2O3, and the remaining vol. % YBCO. Pulsed laser deposition produced thin films on LaAlO3 (LAO) and SrTiO3 (STO) substrates at various deposition temperatures. Comparison of strong and weak flux pinning mechanisms, current densities, critical temperatures, and microstructures of the resulting films will be presented. Films produced from the 2 vol. % BZO + 3 vol. Y2O3 doped YBCO target at a deposition temperature of 825 °C attained the highest current density. The addition of second phase Y2O3 impacted the film microstructure, resulting in more isotropic behavior when compared to the YBCO films doped with only BZO.

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Effects of Surface Roughness and Maximum Load on the Mechanical Properties of Cancellous Bone Measured by Nanoindentation

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MRS Online Proceedings Library 2004年第1期823卷 W8.5.1-W8.5.6页

作者： Donnelly, Eve Baker, Shefford P. Boskey, Adele L. van der Meulen, Marjolein C. H. Sibley School of Mechanical and Aerospace Engineering Cornell University Ithaca USA Department of Materials Science and Engineering Cornell University Ithaca USA Musculoskeletal Integrity Program Hospital for Special Surgery New York USA Department of Biochemistry Weill Medical College of Cornell University New York USA Graduate Program in Physiology Biophysics and Systems Biology Weill Medical College of Cornell University New York USA

Nanoindentation was used to assess the mechanical properties of lamellar and interlamellar tissue in dehydrated rabbit cancellous bone. The effects of surface roughness and maximum nanoindentation load on the measured mechanical properties were examined in two samples of differing surface roughness using maximum loads ranging from 250-3000 μN. As the ratio of indentation depth to surface roughness decreased below approximately 3:1, the variability in material properties increased substantially. At low loads, the indentation modulus of the lamellar bone was approximately 20% greater than that of the interlamellar bone, while at high loads the measured properties of both layers converged to an intermediate value. Relatively shallow indentations made on smooth surfaces revealed significant differences in the properties of lamellar and interlamellar bone that are consistent with microstructural observations of lamellar bone as more mineralized than interlamellar bone.

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Nanoinformatics workshop report: Current resources, community needs and the proposal of a collaborative framework for data sharing and information integration

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Computational science and Discovery 2013年第1期6卷 14008页

作者： Harper, Stacey L. Hutchison, James E. Baker, Nathan Ostraat, Michele Tinkle, Sally Steevens, Jeffrey Hoover, Mark D. Adamick, Jessica Rajan, Krishna Gaheen, Sharon Cohen, Yoram Nel, Andre Cachau, Raul E. Tuominen, Mark Department of Environmental and Molecular Toxicology Oregon State University Corvallis OR United States School of Chemical Biological and Environmental Engineering Oregon State University Corvallis OR United States Department of Chemistry University of Oregon Eugene OR United States Pacific Northwest National Laboratory Richland WA United States RTI International Research Triangle Park NC United States Science and Technology Policy Institute Washington DC United States US Army Engineer Research and Development Center Vicksburg MS United States National Institute for Occupational Safety and Health Morgantown WV United States University Libraries University of Michigan Amherst MA United States Department of Materials Science and Engineering Iowa State University Ames IA United States SAIC Frederick Frederick MD United States Department of Chemical and Biomolecular Engineering University of California Los Angeles CA United States Center for Environmental Implications of Nanotechnology University of California Los Angeles CA United States Advanced Biomedical Computer Center Information Systems Program Frederick National Laboratory for Cancer Research Frederick MD United States Physics Department University of Massachusetts Amherst MA United States

The quantity of information on nanomaterial properties and behavior continues to grow rapidly. Without a concerted effort to collect, organize and mine disparate information coming out of current research efforts, the value and effective use of this information will be limited at best. Data will not be translated to knowledge. At worst, erroneous conclusions will be drawn and future research may be misdirected. Nanoinformatics can be a powerful approach to enhance the value of global information in nanoscience and nanotechnology. Much progress has been made through grassroots efforts in nanoinformatics resulting in a multitude of resources and tools for nanoscience researchers. In 2012, the nanoinformatics community believed it was important to critically evaluate and refine currently available nanoinformatics approaches in order to best inform the science and support the future of predictive nanotechnology. The Greener Nano 2012: Nanoinformatics Tools and Resources Workshop brought together informatics groups with materials scientists active in nanoscience research to evaluate and reflect on the tools and resources that have recently emerged in support of predictive nanotechnology. The workshop goals were to establish a better understanding of current nanoinformatics approaches and to clearly define immediate and projected informatics infrastructure needs of the nanotechnology community. The theme of nanotechnology environmental health and safety (nanoEHS) was used to provide real-world, concrete examples on how informatics can be utilized to advance our knowledge and guide nanoscience. The benefit here is that the same properties that impact the performance of products could also be the properties that inform EHS. From a decision management standpoint, the dual use of such data should be considered a priority. Key outcomes include a proposed collaborative framework for data collection, data sharing and information integration. © 2013 IOP Publishing Ltd.

关键词： Data integration

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High-Throughput Screening: One-Step Generation of a Drug-Releasing Hydrogel Microarray-On-A-Chip for Large-Scale Sequential Drug Combination Screening (Adv. Sci. 3/2019)

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Advanced science 2019年第3期6卷 1970014-1970014页

作者： Seo Woo Song Su Deok Kim Dong Yoon Oh Yongju Lee Amos Chungwon Lee Yunjin Jeong Hyung Jong Bae Daewon Lee Sumin Lee Jiyun Kim Sunghoon Kwon Department of Electrical and Computer Engineering Seoul National University Seoul 08826 South Korea Institutes of Entrepreneurial BioConvergence Seoul National University Seoul 08826 South Korea Department of Mechanical Science and Engineering University of Illinois at Urbana-Champaign Urbana IL 61801 USA Nano Systems Institute Seoul National University Seoul 08826 South Korea Interdisciplinary Program in Bioengineering Seoul National University Seoul 08826 South Korea School of Materials Science and Engineering Ulsan National Institute of Science and Technology Ulsan 44919 South Korea

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The Japanese Vision for the Black Hole Explorer Mission

arXiv

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arXiv 2024年

作者： Akiyama, Kazunori Niinuma, Kotaro Hada, Kazuhiro Doi, Akihiro Hagiwara, Yoshiaki Higuchi, Aya E. Honma, Mareki Kawashima, Tomohisa Kolev, Dimitar Koyama, Shoko Masui, Sho Ohsuga, Ken Sano, Hidetoshi Takami, Hideki Tsunetoe, Yuh Uzawa, Yoshinori Akahori, Takuya Akiyama, Yuto Galison, Peter Hayashi, Takayuki J. Hirota, Tomoya Inoue, Makoto Iwata, Yuhei Johnson, Michael D. Kino, Motoki Kofuji, Yutaro Mizuno, Yosuke Moriyama, Kotaro Nagai, Hiroshi Nakamura, Kenta Notsu, Shota Ono, Fumie Oya, Yoko Oyama, Tomoaki Rana, Hannah Saida, Hiromi Saito, Ryo Saito, Yoshihiko Sasada, Mahito Sawada-Satoh, Satoko Takahashi, Mikiya M. Takamura, Mieko Tong, Edward Tsuji, Hiroyuki Yoshioka, Shogo Watanabe, Yoshimasa Massachusetts Institute of Technology Haystack Observatory WestfordMA01886 United States Mizusawa VLBI Observatory National Astronomical Observatory of Japan Iwate023-0861 Japan Black Hole Initiative Harvard University CambridgeMA02138 United States Graduate School of Sciences and Technology for Innovation Yamaguchi University Yamaguchi753-8512 Japan The Graduate School of Science Nagoya City University Aichi467-0001 Japan Institute of Space and Astronautical Science Japan Aerospace Exploration Agency Kanagawa252-5210 Japan Department of Space and Astronautical Science The Graduate University for Advanced Studies SOKENDAI Kanagawa229-8510 Japan Natural Science Laboratory Toyo University Tokyo112-8606 Japan Division of Science School of Science and Engineering Tokyo Denki University Saitama350-0394 Japan Department of Astronomy Graduate School of Science The University of Tokyo Tokyo113-0033 Japan Institute for Cosmic Ray Research The University of Tokyo Chiba277-8582 Japan Space Communication Systems Laboratory Wireless Networks Research Center National Institute of Information and Communications Technology Tokyo184-8795 Japan Graduate School of Science and Technology Niigata University Niigata950-2181 Japan Advanced Technology Center National Astronomical Observatory of Japan Tokyo181-8588 Japan Center for Computational Sciences University of Tsukuba Ibaraki305-8577 Japan Faculty of Engineering Gifu University Gifu501-1193 Japan Harvard University CambridgeMA02138 United States Azabu Junior and Senior High School Tokyo106-0046 Japan Astronomical Science Program The Graduate University for Advanced Studies SOKENDAI Tokyo181-8588 Japan Institute of Astronomy and Astrophysics Academia Sinica Taipei10617 Taiwan Center for Astrophysics Harvard & Smithsonian CambridgeMA02138 United States Kogakuin University of Technology & Engineering Academic Support Center 2665-1 Nakano Hachioji Tokyo192-0015 Japan Tsung-Dao Lee Institut

The Black Hole Explorer (BHEX) is a next-generation space very long baseline interferometry (VLBI) mission concept that will extend the ground-based millimeter/submillimeter arrays into space. The mission, closely aligned with the science priorities of the Japanese VLBI community, involves an active engagement of this community in the development of the mission, resulting in the formation of the Black Hole Explorer Japan Consortium. Here we present the current Japanese vision for the mission, ranging from scientific objectives to instrumentation. The Consortium anticipates a wide range of scientific investigations, from diverse black hole physics and astrophysics studied through the primary VLBI mode, to the molecular universe explored via a potential single-dish observation mode in the previously unexplored 50-70 GHz band that would make BHEX the highest-sensitivity explorer ever of molecular oxygen. A potential major contribution for the onboard instrument involves supplying essential elements for its high-sensitivity dual-band receiving system, which includes a broadband 300 GHz SIS mixer and a space-certified multi-stage 4.5K cryocooler akin to those used in the Hitomi and XRISM satellites by the Japan Aerospace Exploration Agency. Additionally, the Consortium explores enhancing and supporting BHEX operations through the use of millimeter/submillimeter facilities developed by the National Astronomical Observatory of Japan, coupled with a network of laser communication stations operated by the National Institute of Information and Communication Technology. Copyright © 2024, The Authors. All rights reserved.

关键词： Radio astronomy

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TOMAHAWK NITROGEN PRESSURIZATION MAINTENANCE - WHY

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NAVAL ENGINEERS JOURNAL 1993年第2期105卷 66-68页

作者： CIARULA, TA NERADKA, VF Cdr. Thomas A. Ciarula: USN was born in Pottstown Pa. He attended Northrop University in Inglewood Calif. where he earned a bachelor of science degree in aircraft maintenance engineering in September 1971. He was selected for Officer Candidate School where he was commissioned an ensign (Aeronautical Maintenance Duty) in August 1972. Cdr. Ciarula has been assigned to VA-37 The AIMD at NAF Kadena Okinawa Japan VXE-6 and the USS Forrestal. He was the wing maintenance for training officer for Air Wing Three at NAS Chase Field in Beeville Tex. and the AIMD officer at NAS Key West Fla. In 1988 Cdr. Ciarula was assigned to the Cruise Missiles Project (PEO-CU) where he was the TASM class desk officer and the director of logistics. While at the Cruise Missiles Project he was awarded his master of science in general administration from Central Michigan University. He is currently assigned to PMA-205 in the Naval Air Systems Command. Vincent F. Neradka:received B.S. and M.S. degrees from the University of Maryland in aerospace engineering in 1964 and 1969 and an MS in technical management from the Johns Hopkins University in 1986. He joined the Johns Hopkins University Applied Physics Laboratory in 1979 working on the Vertical Launching System of the Aegis cruisers. Since that time he has participated in activities on the Phalanx program the SPS-48E radar and long term involvement with the Cruise Missile Program. On the Cruise Missile Program Mr. Neradka has focused on the specification of and testing related to environments. Simulation activities have included modeling of pneumatic systems and NASTRAN dynamic modeling. Mr. Neradka is a registered professional engineer.

This paper discusses the data that were recorded during a three-month accelerated humidity test of two Tomahawk all-up rounds (AURs), one pressurized with dry nitrogen in accordance with the current practice, and the other left unpressurized. Temperature and humidity were recorded inside the canisters and missiles. Data analysis consisted of psychrometric calculations to determine the moisture intrusion into these missiles during the test. The work was carried out in support of a technical effort directed at changing the storage and stowage environmental protection of the Tomahawk missile.

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Mathematical and numerical modelling of soiling effects of photovoltaic solar panels on their electrical performance

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IOP Conference Series: materials science and engineering 2020年第1期827卷

作者： Marwane Rouway Zoubair Boulahia Nabil Chakhchaoui Fraija Fouzia Lhaj El Hachemi Omari Omar Cherkaoui Lieva Van Langenhove Hassan II University Faculty of Sciences Aïn Chock Laboratory of Renewable Energy and Dynamic Systems BP 5366 Maarif 20100 Casablanca Morocco REMTEX Laboratory Higher School of Textile and Clothing Industries (ESITH) Casablanca Morocco Hassan II University Faculty of Sciences Aïn Chock Laboratory of Mechanics BP 5366 Maarif 20100 Casablanca Morocco BGIM Laboratory Higher Normal School (ENS Q2) Hassan II University Casablanca Morocco Centre for Textile Science and Engineering Department of Materials Textiles and Chemical Engineering Ghent University Belgium

With time, the photovoltaic solar panels naturally soiled from dust and other elements. These soils prevent light to reach solar cell and can reduce the long-term profitability. The study demonstrates the soiling effect on the electrical characteristics of panels, productivity and performance. A model simulation was developed in this direction in order to quantify and compare the performance of clean and dirty panels, the dust particles have been considered as spheres with an elliptical shadow on the panel. The results prove a power loss of 40% of a 0,224 mg/cm2 dust deposition in comparison with a clean panel at the maximum operating point MPP. This study describes the identified critical parameters governing the fouling of the PV panels.

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