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An Ice Age JWST inventory of dense molecular cloud ices

Nature Astronomy 2023年第4期7卷 431-443页

作者： McClure, M.K. Rocha, W.R.M. Pontoppidan, K.M. Crouzet, N. Chu, L.E.U. Dartois, E. Lamberts, T. Noble, J.A. Pendleton, Y.J. Perotti, G. Qasim, D. Rachid, M.G. Smith, Z.L. Sun, Fengwu Beck, Tracy L. Boogert, A.C.A. Brown, W.A. Caselli, P. Charnley, S.B. Cuppen, Herma M. Dickinson, H. Drozdovskaya, M.N. Egami, E. Erkal, J. Fraser, H. Garrod, R.T. Harsono, D. Ioppolo, S. Jiménez-Serra, I. Jin, M. Jørgensen, J.K. Kristensen, L.E. Lis, D.C. McCoustra, M.R.S. McGuire, Brett A. Melnick, G.J. Öberg, Karin I. Palumbo, M.E. Shimonishi, T. Sturm, J.A. van Dishoeck, E.F. Linnartz, H. Leiden Observatory Leiden University Leiden Netherlands Laboratory for Astrophysics Leiden Observatory Leiden University Leiden Netherlands Space Telescope Science Institute Baltimore MD United States NASA Postdoctoral Program Fellow NASA Ames Research Center Moffett Field CA United States Institut des Sciences Moléculaires d’Orsay CNRS Université Paris-Saclay Orsay France Leiden Institute of Chemistry Gorlaeus Laboratories Leiden University Leiden Netherlands Physique des Interactions Ioniques et Moléculaires CNRS Aix Marseille Université Marseille France Department of Physics University of Central Florida Orlando FL United States Max Planck Institute for Astronomy Heidelberg Germany Southwest Research Institute San Antonio TX United States School of Physical Sciences The Open University Milton Keynes United Kingdom Steward Observatory University of Arizona Tucson AZ United States Institute for Astronomy University of Hawai’i at Manoa Honolulu HI United States Department of Chemistry University of Sussex Brighton United Kingdom Max-Planck-Institut für extraterrestrische Physik Garching bei München Germany Solar System Exploration Division NASA Goddard Space Flight Center Greenbelt MD United States Radboud University Institute for Molecules and Materials Nijmegen Netherlands Center for Space and Habitability Universität Bern Bern Switzerland Departments of Astronomy and Chemistry University of Virginia Charlottesville VA United States Institute of Astronomy Department of Physics National Tsing Hua University Hsinchu Taiwan Center for Interstellar Catalysis Department of Physics and Astronomy Aarhus University Aarhus Denmark Centro de Astrobiología (CAB) CSIC-INTA Torrejón de Ardoz Spain Department of Physics Catholic University of America Washington DC United States Niels Bohr Institute University of Copenhagen Copenhagen Denmark Jet Propulsion Laboratory California Institute of Technology Pasadena CA United States Institute of

Icy grain mantles are the main reservoir of the volatile elements that link chemical processes in dark, interstellar clouds with the formation of planets and the composition of their atmospheres. The initial ice composition is set in the cold, dense parts of molecular clouds, before the onset of star formation. With the exquisite sensitivity of the James Webb Space Telescope, this critical stage of ice evolution is now accessible for detailed study. Here we show initial results of the Early Release science programme Ice Age that reveal the rich composition of these dense cloud ices. Weak ice features, including ¹³CO₂, OCN⁻, ¹³CO, OCS and complex organic molecule functional groups, are now detected along two pre-stellar lines of sight. The ¹²CO₂ ice profile indicates modest growth of the icy grains. Column densities of the major and minor ice species indicate that ices contribute between 2% and 19% of the bulk budgets of the key C, O, N and S elements. Our results suggest that the formation of simple and complex molecules could begin early in a water-ice-rich environment. © 2023, The Author(s), under exclusive licence to Springer Nature Limited.

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Dopamine sensing with electrochemically-enhanced ITO-coated lossy-mode resonance optical fiber sensor 27

Dopamine sensing with electrochemically-enhanced ITO-coated ...

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27th International Conference on Optical Fiber Sensors, OFS 2020

作者： Janik, Monika Janczuk-Richter, Marta Burnat, Dariusz Gabler, Tomasz Niedziólka-Jönsson, Joanna Koba, Marcin Sezemsky, Petr Stranak, Vitezslav Smietana, Mateusz Warsaw University of Technology Faculty of Electronics and Information Technology Institute of Microelectronics and Optoelectronics Koszykowa 75 Warszawa00-662 Poland Gdansk University of Technology Faculty of Electronics Telecommunications and Informatics Department of Metrology and Optoelectronics Narutowicza 11/12 Gdansk80-233 Poland Institute of Physical Chemistry Polish Academy of Sciences Kasprzaka 44/52 Warsaw01-224 Poland National Institute of Telecommunications Szachowa 1 Warszawa04-894 Poland University of South Bohemia Faculty of Science Institute of Physics and Biophysics Branisovska 1760 Ceske Budejovice370 05 Czech Republic

The work reports a lossy-mode resonance optical fiber sensor based on indium tin oxide (ITO) thin films for combined optical and electrochemical dopamine detection through its electropolymerization on the sensor's... 详细信息

ISBN: (纸本)9781557523075

关键词： Amines

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Cr2o3-Doped Graphene Sensor for Early Diagnosis of Liver Cirrhosis: A First-Principles Study

SSRN

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SSRN 2022年

作者： Bhateja, Yuvam Ghosh, Ritam Sponer, Jiri Majumdar, Sanhita Cassone, Giuseppe Engineering Physics Dept. Politecnico Di Milano Leonardo Campus Milano20090 Italy Nil Ratan Sircar Medical College and Hospital Raja Bazar 138 Kolkata700014 India Institute of Biophysics of the Czech Academy of Sciences Královopolská 135 Brno61265 Czech Republic Center of Excellence for Green Energy and Sensor Systems Indian Institute of Engineering Science and Technology Shibpur Botanical Garden Road Howrah711103 India Institute for Chemical-Physical Processes National Research Council Viale F. Stagno d’Alcontres 37 Messina98158 Italy

Liver cirrhosis is among the leading causes of death worldwide. Because of its asymptomatic evolution, timely diagnosis of liver cirrhosis via non-invasive techniques are currently seek for. Among the diagnostic methods employing volatile organic compounds directly detectable from breath, sensing of limonene (C10H16) represents one of the most promising strategies for diagnosing alcohol liver diseases, including *** the present work, by means of state-of-the-art Density Functional Theory calculations, we present an investigation on the sensing capabilities of a chromium-oxide-doped graphene (i.e., Cr2O3-graphene) structure towards the limonene detection. In contrast with other structures such as g -triazobenzol (g-C6N6) monolayers and germanane, which revealed their usefulness in detecting limonene via physisorption, the proposed Cr2O3-graphene heterostructure is capable of undergoing chemisorption upon molecular approaching of limonene over its surface. In fact, a high adsorption energy is recorded (∼−1.6 eV). Besides, a positive Moss-Burstein effect is observed upon adsorption of limomene on the Cr2O3-graphene heterostructure, resulting in a net increase of the bandgap (∼50%), along with a sizeable shift of the Fermi level towards the conduction band. These findings pave the way towards the experimental validation of such predictions and the employment of Cr2O3-graphene heterostructures as sensors of key liver cirrhosis biomarkers. © 2022, The Authors. All rights reserved.

关键词： Density functional theory

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Elucidation of local structure deformation in κ−(BEDT−TTF)2Cu[N(CN)2]Br by x-ray fluorescence holography

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physical Review B 2021年第21期103卷 214106-214106页

作者： Artoni Kevin R. Ang Riho Marumi Ayana Sato-Tomita Koji Kimura Naohisa Happo Kazuto Akagi Takahiko Sasaki Kouichi Hayashi Department of Physical Science and Engineering Nagoya Institute of Technology Gokiso Showa Nagoya 466–8555 Japan Division of Biophysics Department of Physiology Jichi Medical University Yakushiji Shimotsuke Tochigi 329–0498 Japan Department of Computer and Network Engineering Graduate School of Information Sciences Hiroshima City University Asa Minami-ku Hiroshima 731–3194 Japan Advanced Institute for Materials Research (AIMR) Tohoku University 2-1-1 Katahira Aoba Sendai 980–8577 Japan Institute for Materials Research Tohoku University 2-1-1 Katahira Aoba Sendai 980–8577 Japan Frontier Research Institute for Materials Science Nagoya Institute of Technology Gokiso Showa Nagoya 466–8555 Japan

κ−(BEDT−TTF)2Cu[N(CN)2]Br (κ−Br) is an organic superconductor that changes to an Anderson-type insulator due to the random defects introduced by x-ray irradiation. In this study, we directly investigated the effects of irradiation on the local structures in the anion layer of κ−Br using x-ray fluorescence holography. The local structures around the Cu atoms in the anion layer were directly reconstructed from holograms. Prior to radiation damage, the reconstruction clearly shows the atomic images of the Br and N atoms that are directly coordinated to Cu. In the irradiated samples, the N images in the reconstructions were strongly suppressed as a result of the positional fluctuations of N introduced by the defects induced by irradiation. Using the previously proposed “bond-shifted” model and the thermal vibration amplitudes calculated from molecular dynamics simulations, we simulated the holograms and the atomic reconstructions of the anion layer. The simulations show that the “bond-shifted” model, along with thermal vibrations at 100 K, suppresses the N atomic images, as was observed in the experimental reconstructions.

关键词： Defects Radiation damage Organic compounds Molecular dynamics X-ray fluorescence holography

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GLOBAL OCEANS

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Bulletin of the American Meteorological Society 2024年第8期105卷 S156-S213页

作者： Johnson, G.C. Lumpkin, R. NOAA/OAR Pacific Marine Environmental Laboratory Seattle Washington NOAA/OAR Atlantic Oceanographic and Meteorological Laboratory Miami Florida NOAA/OAR Physical Sciences Laboratory Boulder Colorado KBR Inc. Greenbelt Maryland NASA Goddard Space Flight Center Greenbelt Maryland NOAA/NESDIS National Centers for Environmental Information Silver Spring Maryland Cooperative Institute for Climate Ocean and Ecosystem Studies University of Washington Seattle Washington Universities Space Research Association Columbia Maryland College of Marine Science University of South Florida St. Petersburg Florida School of Ocean and Earth Science University of Southampton Southampton United Kingdom International Center for Climate and Environment Sciences Institute of Atmospheric Physics Chinese Academy of Sciences Beijing China Rosenstiel School of Marine Atmospheric and Earth Science University of Miami Miami Florida School of Earth and Atmospheric Sciences Georgia Institute of Technology Atlanta Georgia Science Systems and Applications Inc. Lanham Maryland ADNET Systems Inc. Hampton Virginia Department of Atmospheric and Oceanic Sciences University of Colorado Boulder Boulder Colorado Scripps Institution of Oceanography University of California San Diego La Jolla California Cooperative Institute for Marine and Atmospheric Studies University of Miami Miami Florida Cooperative Institute for Satellite Earth System Studies North Carolina State University Asheville North Carolina Center for Coastal Physical Oceanography Old Dominion University Norfolk Virginia Australian Antarctic Program Partnership Institute for Marine and Antarctic Studies Australian Research Council Centre of Excellence for Climate Extremes University of Tasmania Hobart Australia NOAA/NWS National Centers for Environmental Prediction Climate Prediction Center College Park Maryland NOAA/NESDIS National Centers for Environmental Information Asheville North Carolina Department of Atmosphere Ocean an

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Time synchronization between parietal–frontocentral connectivity with MRCP and gait in post-stroke bipedal tasks

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Journal of NeuroEngineering and Rehabilitation 2024年第1期21卷 101页

作者： Phang, Chun-Ren Su, Kai-Hsiang Cheng, Yuan-Yang Chen, Chia-Hsin Ko, Li-Wei International Ph.D. Program in Interdisciplinary Neuroscience (UST) College of Biological Science and Technology National Yang Ming Chiao Tung University Hsinchu Taiwan Center for Intelligent Drug Systems and Smart Bio-devices (IDS2B) College of Biological Science and Technology National Yang Ming Chiao Tung University Hsinchu Taiwan Department of Biological Science and Technology College of Biological Science and Technology National Yang Ming Chiao Tung University Hsinchu Taiwan Department of Physical Medicine and Rehabilitation Taichung Veterans General Hospital Taichung Taiwan Department of Post-Baccalaureate Medicine College of Medicine National Chung Hsing University Taichung Taiwan School of Medicine National Yang Ming Chiao Tung University Taipei Taiwan Department of Physical Medicine and Rehabilitation Kaohsiung Medical University Hospital Kaohsiung Taiwan School of Medicine College of Medicine Kaohsiung Medical University Kaohsiung Taiwan Regenerative Medicine and Cell Therapy Research Center Kaohsiung Medical University Kaohsiung Taiwan Institute of Electrical and Control Engineering National Yang Ming Chiao Tung University Hsinchu Taiwan Department of Biomedical Science and Environment Biology Kaohsiung Medical University Kaohsiung Taiwan Drug Development and Value Creation Research Center Kaohsiung Medical University Kaohsiung Taiwan

Background: In post-stroke rehabilitation, functional connectivity (FC), motor-related cortical potential (MRCP), and gait activities are common measures related to recovery outcomes. However, the interrelationship between FC, MRCP, gait activities, and bipedal distinguishability have yet to be investigated. Methods: Ten participants were equipped with EEG devices and inertial measurement units (IMUs) while performing lower limb motor preparation (MP) and motor execution (ME) tasks. MRCP, FCs, and bipedal distinguishability were extracted from the EEG signals, while the change in knee degree during the ME phase was calculated from the gait data. FCs were analyzed with pairwise Pearson’s correlation, and the brain-wide FC was fed into support vector machine (SVM) for bipedal classification. Results: Parietal–frontocentral connectivity (PFCC) dysconnection and MRCP desynchronization were related to the MP and ME phases, respectively. Hemiplegic limb movement exhibited higher PFCC strength than nonhemiplegic limb movement. Bipedal classification had a short-lived peak of 75.1% in the pre-movement phase. These results contribute to a better understanding of the neurophysiological functions during motor tasks, with respect to localized MRCP and nonlocalized FC activities. The difference in PFCCs between both limbs could be a marker to understand the motor function of the brain of post-stroke patients. Conclusions: In this study, we discovered that PFCCs are temporally dependent on lower limb gait movement and MRCP. The PFCCs are also related to the lower limb motor performance of post-stroke patients. The detection of motor intentions allows the development of bipedal brain-controlled exoskeletons for lower limb active rehabilitation. © The Author(s) 2024.

关键词： Brain–computer interface Functional connectivity Motor execution Motor preparation Post-stroke

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Volume electron microscopy (vol 2, 51, 2022)

NATURE REVIEWS METHODS PRIMERS

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NATURE REVIEWS METHODS PRIMERS 2022年第1期2卷 1页

作者： Peddie, Christopher J. Genoud, Christel Kreshuk, Anna Meechan, Kimberly Micheva, Kristina D. Narayan, Kedar Pape, Constantin Parton, Robert G. Schieber, Nicole L. Schwab, Yannick Titze, Benjamin Verkade, Paul Weigel, Aubrey Collinson, Lucy M. Electron Microscopy Science Technology Platform The Francis Crick Institute London UK Electron Microscopy Facility Faculty of Biology and Medicine University of Lausanne Lausanne Switzerland Cell Biology and Biophysics Unit European Molecular Biology Laboratory Heidelberg Germany Department of Molecular and Cellular Physiology Stanford University Palo Alto CA USA Center for Molecular Microscopy Center for Cancer Research National Cancer Institute National Institutes of Health Bethesda MD USA Cancer Research Technology Program Frederick National Laboratory for Cancer Research Frederick MD USA The Institute for Molecular Bioscience The University of Queensland Brisbane Queensland Australia Centre for Microscopy and Microanalysis The University of Queensland Brisbane Queensland Australia Cell Biology and Biophysics Unit/ Electron Microscopy Core Facility European Molecular Biology Laboratory Heidelberg Germany Nanosurf AG Liestal Switzerland School of Biochemistry University of Bristol Bristol UK Janelia Research Campus Howard Hughes Medical Institute Ashburn VA USA

Life exists in three dimensions, but until the turn of the century most electron microscopy methods provided only 2D image data. Recently, electron microscopy techniques capable of delving deep into the structure of cells and tissues have emerged, collectively called volume electron microscopy (vEM). Developments in vEM have been dubbed a quiet revolution as the field evolved from established transmission and scanning electron microscopy techniques, so early publications largely focused on the bioscience applications rather than the underlying technological breakthroughs. However, with an explosion in the uptake of vEM across the biosciences and fast-paced advances in volume, resolution, throughput and ease of use, it is timely to introduce the field to new audiences. In this Primer, we introduce the different vEM imaging modalities, the specialized sample processing and image analysis pipelines that accompany each modality and the types of information revealed in the data. We showcase key applications in the biosciences where vEM has helped make breakthrough discoveries and consider limitations and future directions. We aim to show new users how vEM can support discovery science in their own research fields and inspire broader uptake of the technology, finally allowing its full adoption into mainstream biological imaging.

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Sensing fugitive hydrogen emissions

Nature Reviews Electrical Engineering

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Nature Reviews Electrical Engineering 2024年第4期1卷 210-211页

作者： Yichen Cai Kuo-Wei Huang Sudipta Chatterjee Khaled N. Salama Lain-Jong Li Chemistry Program Division of Physical Sciences and Engineering and KAUST Catalysis Center King Abdullah University of Science and Technology Thuwal Saudi Arabia Agency for Science Technology and Research Institute of Materials Research and Engineering and Institute of Sustainability for Chemicals Energy and Environment Singapore Singapore Department of Chemistry Birla Institute of Technology and Science − Pilani K.K. Birla Goa Campus Zuarinagar India Advanced Membranes and Porous Materials Center and Division of Computer Electrical and Mathematical Science and Engineering King Abdullah University of Science and Technology Thuwal Saudi Arabia Department of Mechanical Engineering University of Hong Kong Hong Kong P. R. China

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A U-Net-Based Self-Stitching Method for Generating Periodic Grain Structures

arXiv

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arXiv 2023年

作者： Ji, Ye Koeppe, Arnd Altschuh, Patrick Griem, Lars Rajagopal, Deepalaxmi Nestler, Britta Chen, Weijin Zhang, Yi Zheng, Yue Centre for Physical mechanics and Biophysics School of Physics Sun Yat-Sen University Xin’gang West Road 135 Guangdong Guangzhou510275 China Guangdong Provincial Key Laboratory of Magnetoelectric Physics and Devices School of Physics Xin’gang West Road 135 Guangdong Guangzhou510275 China State Key Laboratory of Optoelectronic Materials and Technologies School of Physics Xin’gang West Road 135 Guangdong Guangzhou510275 China Institute for Applied Materials–Microstructure Modelling and Simulation Karlsruhe Institute of Technology Strasse am Forum 7 Baden-Württemberg Karlsruhe76131 Germany Institute for Digital Materials Science Karlsruhe University of Applied Sciences Moltkestr. 30 Baden-Württemberg Karlsruhe76133 Germany

When modeling microstructures, the computational resource requirements increase rapidly as the simulation domain becomes larger. As a result, simulating a small representative fraction under periodic boundary conditions is often a necessary simplification. However, the truncated structures leave nonphysical boundaries, which are detrimental to numerical modeling. Here, we propose a self-stitching algorithm for generating periodic structures, demonstrated in a grain structure. The main idea of our algorithm is to artificially add structural information between mismatched boundary pairs, using the hierarchical spatial predictions of the U-Net. The algorithm provides an automatic and unbiased way to obtain periodic boundaries in grain structures and can be applied to porous microstructures in a similar way. Copyright © 2023, The Authors. All rights reserved.

关键词： Periodic structures

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High-temperature mid-IR absorption and reaction kinetics of 2-methyl-1,3-dioxolane: An experimental and theoretical study

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Journal of Photochemistry and Photobiology 2023年 13卷

作者： Adil, Mohammad Giri, Binod Raj Mai, Tam V.-T. Szőri, Milán Huynh, Lam K. Farooq, Aamir Mechanical Engineering Program Physical Science and Engineering Division King Abdullah University of Science and Technology (KAUST) Thuwal 23955-6900 Saudi Arabia KAUST Clean Combustion Research Center King Abdullah University of Science and Technology Saudi Arabia Molecular Science and Nano-Materials Lab Institute for Computational Science and Technology SBI Building Quang Trung Software City Tan Chanh Hiep Ward District 12 Ho Chi Minh Viet Nam University of Science Vietnam National University – HCMC 227 Nguyen Van Cu Ward 4 District 5 Ho Chi Minh Viet Nam Vietnam National University – HCMC Quarter 6 Linh Trung Ward Thu Duc Ho Chi Minh Viet Nam Institute of Chemistry University of Miskolc Egyetemváros A/2 Miskolc H-3515 Hungary School of Chemical and Environmental Engineering International University Quarter 6 Linh Trung Ward Thu Duc City Ho Chi Minh City Viet Nam

This work reports the mid-IR spectroscopy and reaction kinetics of 2-methyl-1,3-dioxolane (2M13DO). We carried out spectroscopic measurements to deduce temperature-dependent absorption cross-sections of 2M13DO over a broad wavelength range of 8.4–10.5 μm (950–1190 cm⁻¹). For these measurements, we employed a rapidly tuning MIRcat-QT™ laser that can be operated either at a fixed wavelength or scanned mode over wide wavelength regions. By operating the laser at a fixed wavelength, we monitored the decay of 2M13DO behind reflected shock waves over T₅ = 1050–1400 K and P₅ = 0.7 and 2.6 bar. Our measured concentration time-histories of 2M13DO allowed us to directly extract the overall rate coefficients for the unimolecular decomposition of 2M13DO using the first-order rate law. We did not observe any pressure dependence in the measured rate coefficients, indicating that the reaction is close to the high-pressure limit. By employing the W1U composite method, we explored the important pyrolysis reaction pathways of 2M13DO in the reactive potential energy surface. Three important reaction channels, namely, 2M13DO → CH₂[dbnd]CHOCH₂CH₂OH (IM1), 2M13DO → 2CH₃CHO (P3), 2M13DO → CH₃ + 1,3-dioxolan-2-yl (P4) were identified. Below 700 K, IM1 forming channel is dominant, whereas CH₃CHO formation is dominant under our experimental conditions. Above 1500 K, the radical forming channel (CH₃+P4) takes over other channels. At higher temperatures, the contribution of the radical forming channel continually increases, accounting for ∼ 99% at 2000 K. We used the stochastic RRKM-ME model to predict the pressure and temperature dependence of the rate coefficients, k(T, P), and time-resolved species profiles. Our theory showed excellent agreement with the measured rate coefficients. These are the first direct determination of the rate coefficients of the unimolecular decomposition of

关键词： 2-Methyl-1,3-dioxolane Absorption spectra High-temperature Pyrolysis RRKM-ME calculations Shock tube

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