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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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TGF-β and RAS jointly unmask primed enhancers to drive metastasis

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Cell 2024年第22期187卷 6182-6199.e29页

作者： Lee, Jun Ho Sánchez-Rivera, Francisco J. He, Lan Basnet, Harihar Chen, Fei Xavier Spina, Elena Li, Liangji Torner, Carles Chan, Jason E. Yarlagadda, Dig Vijay Kumar Park, Jin Suk Sussman, Carleigh Rudin, Charles M. Lowe, Scott W. Tammela, Tuomas Macias, Maria J. Koche, Richard P. Massagué, Joan Cancer Biology and Genetics Program Sloan Kettering Institute Memorial Sloan Kettering Cancer Center New York 10065 NY United States Institute for Research in Biomedicine The Barcelona Institute of Science and Technology Barcelona 08028 Spain Department of Medicine Memorial Sloan Kettering Cancer Center New York 10065 NY United States Computational and Systems Biology Program Sloan Kettering Institute Memorial Sloan Kettering Cancer Center New York 10065 NY United States Tri-Institutional Graduate Program in Computational Biology and Medicine Weill Cornell Medical College New York 10065 NY United States Howard Hughes Medical Institute Memorial Sloan Kettering Cancer Center New York 10065 NY United States Institució Catalana de Recerca i Estudis Avançats (ICREA) Barcelona 08010 Spain Center for Epigenetics Research Memorial Sloan Kettering Cancer Center New York 10065 NY United States Department of Biology Massachusetts Institute of Technology Cambridge 02142 MA United States

Epithelial-to-mesenchymal transitions (EMTs) and extracellular matrix (ECM) remodeling are distinct yet important processes during carcinoma invasion and metastasis. Transforming growth factor β (TGF-β) and RAS, signaling through SMAD and RAS-responsive element-binding protein 1 (RREB1), jointly trigger expression of EMT and fibrogenic factors as two discrete arms of a common transcriptional response in carcinoma cells. Here, we demonstrate that both arms come together to form a program for lung adenocarcinoma metastasis and identify chromatin determinants tying the expression of the constituent genes to TGF-β and RAS inputs. RREB1 localizes to H4K16acK20ac marks in histone H2A.Z-loaded nucleosomes at enhancers in the fibrogenic genes interleukin-11 (IL11), platelet-derived growth factor-B (PDGFB), and hyaluronan synthase 2 (HAS2), as well as the EMT transcription factor SNAI1, priming these enhancers for activation by a SMAD4-INO80 nucleosome remodeling complex in response to TGF-β. These regulatory properties segregate the fibrogenic EMT program from RAS-independent TGF-β gene responses and illuminate the operation and vulnerabilities of a bifunctional program that promotes metastatic outgrowth. © 2024 Elsevier Inc.

关键词： chromatin EMT enhancer fibrosis lung adenocarcinoma metastasis RAS SMAD TGF-β

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Chemical complexity of phosphorous bearing species in various regions of the interstellar medium

arXiv

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arXiv 2021年

作者： Sil, Milan Srivastav, Satyam Bhat, Bratati Mondal, Suman Kumar Gorai, Prasanta Ghosh, Rana Shimonishi, Takashi Chakrabarti, Sandip K. Sivaraman, Bhalamurugan Pathak, Amit Nakatani, Naoki Furuya, Kenji Das, Ankan Indian Centre for Space Physics 43 Chalantika Garia Station Road Kolkata700084 India Department of Physics Institute of Science Banaras Hindu University Varanasi221005 India Department of Space Earth & Environment Chalmers University of Technology GothenburgSE-412 96 Sweden Center for Transdisciplinary Research Niigata University Nishi-ku Niigata950-2181 Japan Environmental Science Program Department of Science Faculty of Science Niigata University Nishi-ku Niigata950-2181 Japan Physical Research Laboratory Navrangpura Ahmedabad380009 India Institute for Catalysis Hokkaido University N21W10 Kita-ku Sapporo Hokkaido001-0021 Japan Department of Chemistry Graduate School of Science and Engineering Tokyo Metropolitan University 1-1 Minami-Osawa Hachioji Tokyo192-0397 Japan Center for Computational Sciences University of Tsukuba Tsukuba305-8577 Japan National Astronomical Observatory of Japan Tokyo181-8588 Japan

Phosphorus related species are not known to be as omnipresent in space as hydrogen, carbon, nitrogen, oxygen, and sulfur-bearing species. Astronomers spotted very few P-bearing molecules in the interstellar medium and circumstellar envelopes. Limited discovery of the P-bearing species imposes severe constraints in modeling the P-chemistry. In this paper, we carry out extensive chemical models to follow the fate of P-bearing species in diffuse clouds, photon-dominated or photodissociation regions (PDRs), and hot cores/corinos. We notice a curious correlation between the abundances of PO and PN and atomic nitrogen. Since N atoms are comparatively abundant in diffuse clouds and PDRs than in the hot core/corino region, PO/PN reflects 1 in the late warm-up evolutionary phase of the hot core/corino regions. During the end of the post-warm-up phase, we obtain PO/PN > 1 for hot core and 3along with various impurities. We notice that SO2overlaps with the PH3bending-scissoring modes around ∼ (1000 - 1100) cm-1. We also find that the presence of CO2can strongly influence the intensity of the stretching modes around ∼ 2400 cm-1of PH3 © 2021, CC0.

关键词： Radiative transfer

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I see sick people: Beliefs about sensory detection of infectious disease are largely consistent across cultures

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Brain, Behavior, and Immunity 2025年 128卷 737-750页

作者： Ackerman, Joshua M. Samore, Theodore Fessler, Daniel M.T. Kupfer, Tom R. Choi, Soyeon Merrell, Wilson N. Aarøe, Lene Aavik, Toivo Acabado, Stephen Akello, Grace Alfian, Ilham N. Al-Shawaf, Laith Alvarez, Marinés M. Ammann, Jeanine Arikan, Gizem Asha, Saiyeda A. Astobiza, Anibal M. Baeza-Ugarte, Carmen G. Barclay, Pat Barlow, Fiona Kate Bizarro, Lisiane Bressan, Paola Castellanos-Chacón, Andres Choy, Bryan K.C. Chusairi, Achmad Contreras-Garduño, Jorge Chávez Cosamalón, Brenda L. Costa-Neves, Bernardo De, Mallika de Lima, Tiago J.S. de Zoysa, Piyanjali Dryžaitė, Ieva Elbæk, Christian T. Fedor, Peter Fernández, Ana M. Fernandez-Morales, Regina Fülöp, Márta Gamsakhurdia, Vladimer Lado Garcia-Gómez, Leonor Garcia-Marques, Leonel Garduño-Franco, Jimena Pilar Grazioso, María del Habacht, Fanny Hasan, Youssef Haugestad, Camila P. Haugestad, Christian A.P. Havlíček, Jan Hernandez, Earl J. Hoang, Vu M. Hong, Minsung Hromatko, Ivana Iliško, Dzintra Imada, Hirotaka Jakšić, Ivana Jarmakowski, Tomasz Hjördísar Jónsdóttir, Harpa L. Kajokaite, Kotrina Kaňková, Šárka Kervyn, Nicolas Kim, Jinseok P. Kunst, Jonas R. Laakasuo, Michael Leongómez, Juan David Li, Norman P. Lu, Junsong Lynch, Nathan Maegli, María A. Manley, Harry Marcu, Gabriela McAfee, Thea Mitkidis, Panagiotis Molnár, Nándor B. Morvinski, Coby Muhamad, Haslina Nejat, Pegah Huy, Hoang Nguyen Oliveira, Angelica N. Olsson, Mats J. Onyishi, Charity N. Onyishi, Ike E. Orozco, Reegan Otterbring, Tobias Ottersen, Ida S. Pacheco-López, Gustavo Panagiotopoulou, Penny Paniagua, Walter Parvin, Roksana Pavlović, Zoran Prokop, Pavol Raffman, Emma Rizwan, Muhammad Rojas, Sheila Różycka-Tran, Joanna Sánchez, Oscar R. Selim, Heyla Sevi, Barış Shani, Yaniv Shastry, Madhulika S. Stieger, Stefan Suh, Eunkook M. Sumari, Melati Takemura, Kosuke Tognetti, Arnaud Trombetta, Roberta Z.R. Tybur, Joshua M. Ucak, Eylul B. Uchida, Yukiko Valentova, Jaroslava V. Viciana, Hugo Visine, Amandine Wang, Jin Wang, XT Yahiiaiev, Illia I. Zein, Rizqy A. Žeželj, Iris Department of Psychology University of Michigan Ann Arbor MI United States Religion Programme University of Otago Dunedin New Zealand Department of Anthropology University of California Los Angeles Los Angeles CA United States Center for Behavior Evolution & Culture University of California Los Angeles Los Angeles CA United States Bedari Kindness Institute University of California Los Angeles Los Angeles CA United States Department of Psychology Nottingham Trent University England Nottingham United Kingdom Department of Psychology University of Wisconsin-Madison Madison WI United States Center for the Experimental-Philosophical Study of Discrimination Aarhus University Aarhus Denmark Department of Political Science Aarhus University Aarhus Denmark Institute of Psychology University of Tartu Tartu Estonia Department of Mental Health Faculty of Medicine Gulu University Gulu Uganda Department of Psychology Universitas Airlangga East Java Indonesia Department of Psychology University of Colorado Colorado Springs Colorado Springs CO United States Department of Psychology Universidad del Valle Guatemala Guatemala City Guatemala Agroscope Research group Economic Modelling and Policy Analysis Ettenhausen Switzerland Department of Political Science Trinity College Dublin Dublin Ireland Department of Psychology International University of Business Agriculture and Technology Dhaka Bangladesh Department of Philosophy University of Granada Granada Spain Department of Psychology University of Guelph Guelph ON Canada School of Psychology University of Queensland Brisbane QLD Australia Graduate Program in Psychology Universidade Federal do Rio Grande Do Sul RS Porto Alegre Brazil Department of General Psychology University of Padova Padova Italy Faculty of Psychology Universidad El Bosque Bogotá Colombia Ministry of Defence Singapore Sustainability and Education Policy Network Saskatoon SK Canada Escuela Nacional de Estudios Superiores unid

Identifying cues to contagious disease is critical for effectively tracking and defending against interpersonal infection threats. People hold lay beliefs about the types of sensory information most relevant for identifying whether others are sick with transmissible illnesses. Are these beliefs universal, or do they vary along cultural and ecological dimensions? Participants in 58 countries (N = 19,217) judged how effective, and how likely they were to use, cues involving each of the five major sensory modalities in an imagined social interaction during a flu outbreak. Belief patterns were strongly consistent across countries (sight > audition > touch > smell > taste), suggesting a largely universal conceptualization of the role of sensory information for interpersonal respiratory disease detection. Results also support a safe senses hypothesis, with perceivers reporting that they would use senses that function at a distance—and thus reduce pathogen transmission risk—more than would be expected given participants’ beliefs as to the efficacy of these senses for disease detection. Where societal variation did emerge, it was captured by a cohesive set of socio-ecological factors, including human development, latitude, pathogen prevalence, and population density. Together, these findings reveal a shared lens through which contagious respiratory disease is assessed, one that prioritizes minimizing risk to perceivers, and may offer leverage for designing interventions to improve public health. © 2025 Elsevier Inc.

关键词： Behavioral immune system Culture Iterpersonal perception Pathogen threat Sensation Threat detection

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Discovery of dual-specificity tyrosine-phosphorylation-regulated kinase 1A (DYRK1A) inhibitors using an artificial intelligence model and their effects on tau and tubulin dynamics

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Biomedicine and Pharmacotherapy 2024年 181卷 117688-117688页

作者： Chen, Jun-Hong Tu, Huang-Ju Lin, Tony Eight Peng, Zhao-Xiang Wu, Yi-Wen Yen, Shih-Chung Sung, Tzu-Ying Hsieh, Jui-Hua Lee, Hsueh-Yun Pan, Shiow-Lin HuangFu, Wei-Chun Hsu, Kai-Cheng Graduate Institute of Cancer Biology and Drug Discovery College of Medical Science and Technology Taipei Medical University Taipei Taiwan Ph.D. Program for Cancer Molecular Biology and Drug Discovery College of Medical Science and Technology Taipei Medical University Taipei Taiwan Warshel Institute for Computational Biology The Chinese University of Hong Kong Guangdong Shenzhen China Division of Translational Toxicology National Institute of Environmental Health Sciences National Institutes of Health Durham NC United States School of Pharmacy College of Pharmacy Taipei Medical University Taipei Taiwan TMU Research Center of Cancer Translational Medicine Taipei Medical University Taipei Taiwan Cancer Center Wan Fang Hospital Taipei Medical University Taipei Taiwan

The dual-specificity tyrosine-phosphorylation-regulated kinase 1 A (DYRK1A) presents a promising therapeutic target for neurological diseases. However, current inhibitors lack selectivity, which can lead to unexpected side effects and increase the difficulty of studying DYRK1A. Therefore, identifying selective inhibitors targeting DYRK1A is essential for reducing side effects and facilitating neurological disease research. This study aimed to discover DYRK1A inhibitors through a screening pipeline incorporating a deep neural network (DNN) model. Herein, we report an optimized model with an accuracy of 0.93 on a testing set. The pipeline was then performed to identify potential DYRK1A inhibitors from the National Cancer Institute (NCI) library. Four novel DYRK1A inhibitors were identified, and compounds NSC657702 and NSC31059 were noteworthy for their potent inhibition, with IC₅₀ values of 50.9 and 39.5 nM, respectively. NSC31059 exhibited exceptional selectivity across 70 kinases. The compounds also significantly reduced DYRK1A-induced tau phosphorylation at key sites associated with the pathology of neurodegenerative diseases. Moreover, they promoted tubulin polymerization, suggesting a role in microtubule stabilization. Cytotoxicity assessments further confirmed the neuronal safety of the compounds. Together, the results demonstrated a promising screening pipeline and novel DYRK1A inhibitors as candidates for further optimization and development. © 2024 The Authors

关键词： Deep Learning DYRK1A Tau

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An ensemble machine learning model generates a focused screening library for the identification of CDK8 inhibitors

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Protein science 2024年第6期33卷 e5007-e5007页

作者： Lin, Tony Eight Yen, Dyan HuangFu, Wei-Chun Wu, Yi-Wen Hsu, Jui-Yi Yen, Shih-Chung Sung, Tzu-Ying Hsieh, Jui-Hua Pan, Shiow-Lin Yang, Chia-Ron Huang, Wei-Jan Hsu, Kai-Cheng Graduate Institute of Cancer Biology and Drug Discovery College of Medical Science and Technology Taipei Medical University Taipei Taiwan Ph.D. Program for Cancer Molecular Biology and Drug Discovery College of Medical Science and Technology Taipei Medical University Taipei Taiwan TMU Research Center of Cancer Translational Medicine Taipei Medical University Taipei Taiwan Warshel Institute for Computational Biology The Chinese University of Hong Kong (Shenzhen) Guangdong Shenzhen China Biomedical Translation Research Center Academia Sinica Taipei Taiwan Division of Translational Toxicology National Institute of Environmental Health Sciences National Institutes of Health Durham NC United States School of Pharmacy College of Medicine National Taiwan University Taipei Taiwan Graduate Institute of Pharmacognosy College of Pharmacy Taipei Medical University Taipei Taiwan Cancer Center Wan Fang Hospital Taipei Medical University Taipei Taiwan

The identification of an effective inhibitor is an important starting step in drug development. Unfortunately, many issues such as the characterization of protein binding sites, the screening library, materials for assays, etc., make drug screening a difficult proposition. As the size of screening libraries increases, more resources will be inefficiently consumed. Thus, new strategies are needed to preprocess and focus a screening library towards a targeted protein. Herein, we report an ensemble machine learning (ML) model to generate a CDK8-focused screening library. The ensemble model consists of six different algorithms optimized for CDK8 inhibitor classification. The models were trained using a CDK8-specific fragment library along with molecules containing CDK8 activity. The optimized ensemble model processed a commercial library containing 1.6 million molecules. This resulted in a CDK8-focused screening library containing 1,672 molecules, a reduction of more than 99.90%. The CDK8-focused library was then subjected to molecular docking, and 25 candidate compounds were selected. Enzymatic assays confirmed six CDK8 inhibitors, with one compound producing an IC₅₀ value of ≤100 nM. Analysis of the ensemble ML model reveals the role of the CDK8 fragment library during training. Structural analysis of molecules reveals the hit compounds to be structurally novel CDK8 inhibitors. Together, the results highlight a pipeline for curating a focused library for a specific protein target, such as CDK8. © 2024 The Authors. Protein science published by Wiley Periodicals LLC on behalf of The Protein Society.

关键词： CDK8 fragment machine learning molecular docking structure-based virtual screening

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modelling combat system manning and manpower reduction

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NAVAL ENGINEERS JOURNAL 1999年第3期111卷 153-171页

作者： Roos, CH Carl H. Roos:is a Senior Engineer with Logicon-Syscon. A graduate of the University of Pittsburgh with a BSEE degree he has over 35 years experience in functional operational combat system fire control interface and computer program design. As technology changed and the combat system was upgraded Mr. Roos maintained his level of technical expertise by taking graduate-level courses in computer science modelling & structured analysis networking & fiber optics. He has worked in various capacities on the LHD LHA DDG 993 DD 963 LPD 17 LCC LPD 13 CGN 38 CGN 9 CG 26 and the DDG Class Combat Systems. In recent years Mr. Roos has been responsible for managing directing and performing engineering design and analysis efforts associated with Battle Management Organization (BMO) functional analysis and operational analysis. These efforts were used in defining combat system operational requirements shipboard space requirements and integration requirements. His paper “Configuration Management of Digital Programs” was published at the 1972 IEEE Southeastern Conrence.

NAVSEA 03K41 is responsible for generating Combat System Rattle Management Organizations (BMO) and Functional Flow Diagrams (FFD). Several years ago, NAVSEA provided the resources to conduct a functional analysis that would support the development and validation of the BMOs and FFDs. The major obstacle in performing the analysis was obtaining a consensus on how the functional hierarchy was to be structured. The non-optimum organization of the hierarchy was selected;as a result, the functions were difficult to define, find, use, and validate. Recognizing the shortcomings of this effort, research was conducted to evaluate state-of-the-art structured modelling techniques, concepts, and methodologies. Two modelling concepts by James Martin were found to be applicable for the combat system functional analysis: Enterprise modelling Concept and Functional Decomposition modelling Concept. The Structure modelling definitions of Whitten, Bently, and Barlow provided the guidelines for using the Martin concepts. During the ensuing BMO and FFD development efforts, a Ship's Combat System (SCS) modelling concept evolved and a SCS Model was developed. This paper addresses how the modelling concepts and tools are used in the BMO and FFD development and validation process. Data from the SCS Model provides the basis for defining combat system requirements (e.g., software, data display, database, networking, etc.).

关键词： Naval vessels

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Theoretical study of intermolecular interactions in protic ionic liquids: a single ion pair picture

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Journal of Physics: Conference Series 2021年第1期1719卷

作者： P Nanthanasit N Chattrapiban M Jitvisate P Nimmanpipug S Rimjaem Ph.D. Degree Program in Physics (International Program) Department of Physics and Materials Science Faculty of Science Chiang Mai University Chiang Mai 50200 Thailand Plasma and Beam Physics Research Facility Department of Physics and Materials Science Faculty of Science Chiang Mai University Chiang Mai 50200 Thailand Thailand Center of Excellence in Physics Ministry of Higher Education Science Research and Innovation Bangkok 10400 Thailand The Establishment of Research Center for Quantum Technology Faculty of Science Chiang Mai University Chiang Mai 50200 Thailand Computational Simulation and Modelling Laboratory Faculty of Science and Center of Excellence for Innovation in Analytical Science and Technology Chiang Mai University Chiang Mai 50200 Thailand

Protic ionic liquids are made via intermolecular transfer between cation and anion. This research employs theoretical calculation to gain understanding of the intermolecular interactions at single-ion-pair level and their consequences to the macroscopic properties of the ionic liquids. The protic ionic liquids used in this study are ethylammonium nitrate (EAN), propylammonium nitrate (PAN), and butylammonium nitrate (BAN). Molecular structures of ions and ion pair of each liquid are optimized using the density functional theory. The ion pair binding energies and infrared spectra of optimized structures are investigated. Infrared spectra of separated cation and anion are compared with cation-anion ion pair to specify the vibrational band shifts due to intermolecular interactions. The infrared-spectra show the hydrogen-bond stretching modes in the far-infrared region at the wavenumber between 108-252 cm−1 and the red shifts of four vibrational bands due to intermolecular interactions between the ions. Three vibrational band shifts are mainly due to Coulomb force, and the other shift is caused by combination of intermolecular interactions. Moreover, the energy calculations show that the binding energy decreases as the alkyl chain length increases.

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TOI-2015 b: a sub-Neptune in strong gravitational interaction with an outer non-transiting planet

arXiv

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arXiv 2025年

作者： Barkaoui, K. Korth, J. Gaidos, E. Agol, E. Parviainen, H. Pozuelos, F.J. Palle, E. Narita, N. Grimm, S. Brady, M. Bean, J.L. Morello, G. Rackham, B.V. Burgasser, A.J. Van Grootel, V. Rojas-Ayala, B. Seifahrt, A. Marfil, E. Passegger, V.M. Stalport, M. Gillon, M. Collins, K.A. Shporer, A. Giacalone, S. Yalçınkaya, S. Ducrot, E. Timmermans, M. Triaud, A.H.M.J. de Wit, J. Soubkiou, A. Watkins, C.N. Aganze, C. Alonso, R. Amado, P.J. Basant, R. Baştürk, Ö. Benkhaldoun, Z. Burdanov, A. Calatayud-Borras, Y. Chouqar, J. Conti, D.M. Collins, K.I. Davoudi, F. Delrez, L. Dressing, C.D. de Leon, J. Dévora-Pajares, M. Demory, B.O. Dransfield, G. Esparza-Borges, E. Fernández-Rodriguez, G. Fukuda, I. Fukui, A. Gallardo, P.P.M. Garcia, L. Garcia, N.A. Ghachoui, M. Geraldía-González, S. Chew, Y. Gómez Maqueo González-Rodríguez, J. Günther, M.N. Hayashi, Y. Horne, K. Hooton, M.J. Hsu, C.C. Ikuta, K. Isogai, K. Jehin, E. Jenkins, J.M. Kawauchi, K. Kagetani, T. Kawai, Y. Kasper, D. Kielkopf, J.F. Klagyivik, P. Lacedelli, G. Latham, D.W. Libotte, F. Luque, R. Livingston, J.H. Mancini, L. Massey, B. Mori, M. Torres, S. Muñoz Murgas, F. Niraula, P. Orell-Miquel, J. Rapetti, David Rebolo-López, R. Ricker, G. Papini, R. Pedersen, P.P. Peláez-Torres, A. Pérez-Prieto, J.A. Poultourtzidis, E. Rodriguez, P.M. Queloz, D. Savel, A.B. Schanche, N. Sánchez-Benavente, M. Sibbald, L. Sefako, R. Sohy, S. Sota, A. Schwarz, R.P. Seager, S. Sebastian, D. Southworth, J. Stangret, M. Stefánsson, G. Stürmer, J. Srdoc, G. Thompson, S.J. Terada, Y. Vanderspek, R. Wang, G. Watanabe, N. Wilkin, F.P. Winn, J. Wells, R.D. Ziegler, C. Zúñiga-Fernández, S. Astrobiology Research Unit Université de Liège Allée du 6 Août 19C LiègeB-4000 Belgium Department of Earth Atmospheric and Planetary Science Massachusetts Institute of Technology 77 Massachusetts Avenue CambridgeMA02139 United States Calle Vía Láctea s/n Tenerife La Laguna38200 Spain Lund Observatory Division of Astrophysics Department of Physics Lund University Box 118 Lund22100 Sweden Department of Earth Sciences University of Hawaii at Manoa 1680 East-West Rd HonoluluHI96822 United States Institute for Astrophysics University of Vienna Türkenschanzstrasse 17 ViennaA-1180 Austria Department of Astronomy Astrobiology Program University of Washington Box 351580 SeattleWA98195 United States NExSS Virtual Planetary Laboratory University of Washington Box 351580 SeattleWA98195 United States Tenerife La LagunaE-38206 Spain Glorieta de la Astronomía s/n Granada18008 Spain INAF- Palermo Astronomical Observatory Piazza del Parlamento 1 Palermo90134 Italy Komaba Institute for Science The University of Tokyo 3-8-1 Komaba Meguro Tokyo153-8902 Japan Astrobiology Center 2-21-1 Osawa Mitaka Tokyo181-8588 Japan Research Institute for Advanced Computer Science Universities Space Research Association WashingtonDC20024 United States Institute for Particle Physics and Astrophysics ETH Zürich OttoStern-Weg 5 Zürich8093 Switzerland Department of Astrophysics University of Zürich Winterthurerstrasse 190 Zürich8057 Switzerland Department of Astronomy & Astrophysics University of Chicago ChicagoIL United States NHFP Sagan Fellow United States Department of Physics Kavli Institute for Astrophysics and Space Research Massachusetts Institute of Technology CambridgeMA02139 United States Institute Université de Liège Allée du 6 Août 19C LiègeB-4000 Belgium Instituto de Alta Investigación Universidad de Tarapacá Casilla 7D Arica Chile Gemini Observatory NSF NOIRLab 670 N. A’ohoku Place HiloHI96720 United States Departamento de

TOI-2015 is a known exoplanetary system around an M4 dwarf star, consisting of a transiting sub-Neptune planet in a 3.35-day orbital period, TOI-2015 b, accompanied by a non-transiting companion, TOI-2015 c. High-precision radial velocity measurements were taken with the MAROON-X spectrograph, and high-precision photometric data were collected, primarily using the SPECULOOS, MUSCAT, TRAPPIST and LCOGT networks. We collected 63 transit light curves and 49 different transit epochs for TOI-2015 b. We re-characterize the target star by combining optical spectra obtained by the MAROON-X, Shane/KAST and IRTF/SpeX spectrographs, Bayesian Model Averaging (BMA) and Spectral Energy Distribution (SED) analysis. The TOI-2015 host star is a K = 10.3 mag M4-type dwarf with a sub-solar metallicity of [e/H]= −0.31 ± 0.16, and an effective temperature of Teff ≈ 3200 K. Our photodynamical analysis of the system strongly favors the 5:3 mean motion resonance and in this scenario the planet b (TOI-2015 b) has an orbital period of Pb = 3.34 days, a mass of Mp = 9.02+0.32−0.36 M⊗, a radius of Rp = 3.309+0.013−0.11 R⊗, resulting in a density of ρp = 0.25±0.01 ρ⊗ = 1.40±0.06 g cm−3, indicative of a Neptune-like composition. Its transits exhibit large (> 1 hr) timing variations indicative of an outer perturber in the system. We performed a global analysis of the high-resolution radial-velocity measurements, the photometric data, and the TTVs, and inferred that TOI-2015 hosts a second planet, TOI-2015 c, in a non-transiting configuration. Our analysis places it near a 5:3 resonance with an orbital period of Pc = 5.583 days and a mass of Mp = 8.91+0.38−0.40 M⊗. The dynamical configuration of TOI-2015 b and TOI-2015 c can be used to constrain the system’s planetary formation and migration history. Based on the mass-radius composition models, TOI-2015 b is a water-rich or rocky planet with a hydrogen-helium envelope. Moreover, TOI-2015 b has a high transmission spectroscopic metric (TSM= 149), m

关键词： Stars

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Design, synthesis, and biological evaluation of indolin-2-one derivatives as novel cyclin-dependent protein kinase 8 (CDK8) inhibitors

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Biomedicine and Pharmacotherapy 2023年第1期159卷 114258-114258页

作者： Hsu, Jui-Yi Hsu, Kai-Cheng Sun, Ching Chou, Ching-Hsuan Lin, Tony Eight Sung, Tzu-Ying Tseng, Hui-Ju Yen, Shih-Chung Yang, Chia-Ron Huang, Wei-Jan Ph.D. Program for Cancer Molecular Biology and Drug Discovery College of Medical Science and Technology Taipei Medical University and Academia Sinica Taipei Taiwan Graduate Institute of Cancer Biology and Drug Discovery College of Medical Science and Technology Taipei Medical University Taipei Taiwan Ph.D. Program for Cancer Molecular Biology and Drug Discovery College of Medical Science and Technology Taipei Medical University Taipei Taiwan Ph.D. Program in Drug Discovery and Development Industry College of Pharmacy Taipei Medical University Taipei Taiwan TMU Research Center for Drug Discovery Taipei Medical University Taipei Taiwan TMU Research Center of Cancer Translational Medicine Taipei Medical University Taipei Taiwan Cancer Center Wan Fang Hospital Taipei Medical University Taipei Taiwan School of Pharmacy College of Medicine National Taiwan University Taipei Taiwan Biomedical Translation Research Center Academia Sinica Taipei Taiwan Department of Pharmacology and Pharmaceutical Sciences School of Pharmacy University of Southern California Los Angeles CA United States Warshel Institute for Computational Biology The Chinese University of Hong Kong (Shenzhen) Guangdong Shenzhen China School of Pharmacy Taipei Medical University Taipei Taiwan

Cyclin-dependent protein kinase 8 (CDK8) plays important roles in regulating fibrotic growth factors and inflammatory signaling pathways. Long-term chronic inflammation of the lungs can lead to idiopathic pulmonary fibrosis (IPF). Abnormal alveolar epithelial regeneration leads to the release of various fibrotic growth factors and the activation of inflammatory cells. CDK8 regulates profibrotic cytokines broadly implicated in the pathogenesis of fibrosis. Therefore, inhibition of CDK8 is considered a promising strategy for treating IPF. Here, CDK8 inhibitors were designed and optimized using a fragment-based drug design strategy. Testing results revealed that 71% of the synthesized compounds inhibited CDK8 activity better than the original compound E966–0530. Of these compounds, compound 4k exhibited the strongest CDK8 enzyme-inhibiting activity (IC₅₀ =129 nM). Notably, it displayed a 13-fold increase in potency when compared to E966–0530. Experiments on toxicity and inhibition of epithelial-mesenchymal transition (EMT) protein expressions showed that compound 4k can inhibit EMT protein expressions, but with no significant cytotoxicity for alveolar epithelial cells. Compound 4k showed a potent inhibitory effect in cell migration assays. Furthermore, compound 4k significantly inhibited the phosphorylation of p-Smad3 and RNA Pol II, which are critical mediators in the fibrotic response signaling pathway. Compound 4k remarkably reduced TGF-β1-induced oxidative stress. The above results reveal optimized CDK8 inhibitors with potential use for IPF therapeutic treatment. © 2023 The Authors

关键词： Cyclin-dependent protein kinase 8 (CDK8) Idiopathic pulmonary fibrosis (IPF) Indolin-2-one Kinase inhibitor Lead optimization

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