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The nearby radio galaxy M87 is a prime target for studying black hole accretion and jet formation^{1,2}. Event Horizon Telescope observations of M87 in 2017, at a wavelength of 1.3 mm, revealed a ring-like structure, which was interpreted as gravitationally lensed emission around a central black hole^3. Here we report images of M87 obtained in 2018, at a wavelength of 3.5 mm, showing that the compact radio core is spatially resolved. High-resolution imaging shows a ring-like structure of 8.4_{-1.1}^{+0.5} Schwarzschild radii in diameter, approximately 50% larger than that seen at 1.3 mm. The outer edge at 3.5 mm is also larger than that at 1.3 mm. This larger and thicker ring indicates a substantial contribution from the accretion flow with absorption effects in addition to the gravitationally lensed ring-like emission. The images show that the edge-brightened jet connects to the accretion flow of the black hole. Close to the black hole, the emission profile of the jet-launching region is wider than the expected profile of a black-hole-driven jet, suggesting the possible presence of a wind associated with the accretion flow., 50 pages, 18 figures, 3 tables, author's version of the paper published in Nature

Highly reactive closed-shell molecular anions [B12Br11]− spontaneously form covalent bonds with hydrocarbon molecules, including very unreactive alkanes, in the gas phase.

PDF file - 652K, Entinostat or sodium butyrate does not affect SOCE activation and STIM1 trafficking.

PDF file - 836K, The integrity of microtubules is necessary for STIM1 membrane trafficking and the interaction with Orai1.

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PDF file - 155K, Additional experimental procedures including RNA interference, Total internal reflection fluorescence (TIRF) microscopy, and cell proliferation and migration assay. Also includes description of antibodies and reagents used.

PDF file - 738K, HDAC6 inhibitor, tubastatin-A, blocks STIM1 membrane trafficking.

PDF file - 1456K, HDAC6 is involved in STIM1 trafficking, proliferation and migration of cervical cancer cells.

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This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted reuse, distribution, and reproduction in any medium, provided the original work is properly cited. Full list of authors: Akiyama, Kazunori; Alberdi, Antxon; Alef, Walter; Algaba, Juan Carlos; Anantua, Richard; Asada, Keiichi; Azulay, Rebecca; Bach, Uwe; Baczko, Anne-Kathrin; Ball, David; Balokovic, Mislav; Barrett, John; Baubock, Michi; Benson, Bradford A.; Bintley, Dan; Blackburn, Lindy; Blundell, Raymond; Bouman, Katherine L.; Bower, Geoffrey C.; Boyce, Hope; Bremer, Michael; Brinkerink, Christiaan D.; Brissenden, Roger; Britzen, Silke; Broderick, Avery E.; Broguiere, Dominique; Bronzwaer, Thomas; Bustamante, Sandra; Byun, Do-Young; Carlstrom, John E.; Ceccobello, Chiara; Chael, Andrew; Chan, Chi-kwan; Chatterjee, Koushik; Chatterjee, Shami; Chen, Ming-Tang; Chen, Yongjun; Cheng, Xiaopeng; Cho, Ilje; Christian, Pierre; Conroy, Nicholas S.; Conway, John E.; Cordes, James M.; Crawford, Thomas M.; Crew, Geoffrey B.; Cruz-Osorio, Alejandro; Cui, Yuzhu; Davelaar, Jordy; De Laurentis, Mariafelicia; Deane, Roger; Dempsey, Jessica; Desvignes, Gregory; Dexter, Jason; Dhruv, Vedant; Doeleman, Sheperd S.; Dougal, Sean; Dzib, Sergio A.; Eatough, Ralph P.; Emami, Razieh; Falcke, Heino; Farah, Joseph; Fish, Vincent L.; Fomalont, Ed; Ford, H. Alyson; Fraga-Encinas, Raquel; Freeman, William T.; Friberg, Per; Fromm, Christian M.; Fuentes, Antonio; Galison, Peter; Gammie, Charles F.; Garcia, Roberto; Gentaz, Olivier; Georgiev, Boris; Goddi, Ciriaco; Gold, Roman; Gomez-Ruiz, Arturo, I; Gomez, Jose L.; Gu, Minfeng; Gurwell, Mark; Hada, Kazuhiro; Haggard, Daryl; Haworth, Kari; Hecht, Michael H.; Hesper, Ronald; Heumann, Dirk; Ho, Luis C.; Ho, Paul; Honma, Mareki; Huang, Chih-Wei L.; Huang, Lei; Hughes, David H.; Ikeda, Shiro; Impellizzeri, C. M. Violette; Inoue, Makoto; Issaoun, Sara; James, David J.; Jannuzi, Buell T.; Janssen, Michael; Jeter, Britton; Jiang, Wu; Jimenez-Rosales, Alejandra; Johnson, Michael D.; Jorstad, Svetlana; Joshi, Abhishek, V; Jung, Taehyun; Karami, Mansour; Karuppusamy, Ramesh; Kawashima, Tomohisa; Keating, Garrett K.; Kettenis, Mark; Kim, Dong-Jin; Kim, Jae-Young; Kim, Jongsoo; Kim, Junhan; Kino, Motoki; Koay, Jun Yi; Kocherlakota, Prashant; Kofuji, Yutaro; Koch, Patrick M.; Koyama, Shoko; Kramer, Carsten; Kramer, Michael; Krichbaum, Thomas P.; Kuo, Cheng-Yu; La Bella, Noemi; Lauer, Tod R.; Lee, Daeyoung; Lee, Sang-Sung; Leung, Po Kin; Levis, Aviad; Li, Zhiyuan; Lico, Rocco; Lindahl, Greg; Lindqvist, Michael; Lisakov, Mikhail; Liu, Jun; Liu, Kuo; Liuzzo, Elisabetta; Lo, Wen-Ping; Lobanov, Andrei P.; Loinard, Laurent; Lonsdale, Colin J.; Lu, Ru-Sen; Mao, Jirong; Marchili, Nicola; Markoff, Sera; Marrone, Daniel P.; Marscher, Alan P.; Marti-Vidal, Ivan; Matsushita, Satoki; Matthews, Lynn D.; Medeiros, Lia; Menten, Karl M.; Michalik, Daniel; Mizuno, Izumi; Mizuno, Yosuke; Moran, James M.; Moriyama, Kotaro; Moscibrodzka, Monika; Muller, Cornelia; Mus, Alejandro; Musoke, Gibwa; Myserlis, Ioannis; Nadolski, Andrew; Nagai, Hiroshi; Nagar, Neil M.; Nakamura, Masanori; Narayan, Ramesh; Narayanan, Gopal; Natarajan, Iniyan; Nathanail, Antonios; Fuentes, Santiago Navarro; Neilsen, Joey; Neri, Roberto; Ni, Chunchong; Noutsos, Aristeidis; Nowak, Michael A.; Oh, Junghwan; Okino, Hiroki; Olivares, Hector; Ortiz-Leon, Gisela N.; Oyama, Tomoaki; Palumbo, Daniel C. M.; Paraschos, Georgios Filippos; Park, Jongho; Parsons, Harriet; Patel, Nimesh; Pen, Ue-Li; Pesce, Dominic W.; Pietu, Vincent; Plambeck, Richard; PopStefanija, Aleksandar; Porth, Oliver; Potzl, Felix M.; Prather, Ben; Preciado-Lopez, Jorge A.; Pu, Hung-Yi; Ramakrishnan, Venkatessh; Rao, Ramprasad; Rawlings, Mark G.; Raymond, Alexander W.; Rezzolla, Luciano; Ricarte, Angelo; Ripperda, Bart; Roelofs, Freek; Rogers, Alan; Ros, Eduardo; Romero-Canizales, Cristina; Roshanineshat, Arash; Rottmann, Helge; Roy, Alan L.; Ruiz, Ignacio; Ruszczyk, Chet; Rygl, Kazi L. J.; Sanchez, Salvador; Sanchez-Arguelles, David; Sanchez-Portal, Miguel; Sasada, Mahito; Satapathy, Kaushik; Savolainen, Tuomas; Schloerb, F. Peter; Schonfeld, Jonathan; Schuster, Karl-Friedrich; Shao, Lijing; Shen, Zhiqiang; Small, Des; Sohn, Bong Won; SooHoo, Jason; Souccar, Kamal; Sun, He; Tazaki, Fumie; Tetarenko, Alexandra J.; Tiede, Paul; Tilanus, Remo P. J.; Titus, Michael; Torne, Pablo; Traianou, Efthalia; Trent, Tyler; Trippe, Sascha; Turk, Matthew; van Bemmel, Ilse; van Langevelde, Huib Jan; van Rossum, Daniel R.; Vos, Jesse; Wagner, Jan; Ward-Thompson, Derek; Wardle, John; Weintroub, Jonathan; Wex, Norbert; Wharton, Robert; Wielgus, Maciek; Wiik, Kaj; Witzel, Gunther; Wondrak, Michael F.; Wong, George N.; Wu, Qingwen; Yamaguchi, Paul; Yoon, Doosoo; Young, Andre; Young, Ken; Younsi, Ziri; Yuan, Feng; Yuan, Ye-Fei; Zensus, J. Anton; Zhang, Shuo; Zhao, Guang-Yao; Zhao, Shan-Shan; Ozel, Feryal; Agurto, Claudio; Allardi, Alexander; Amestica, Rodrigo; Araneda, Juan Pablo; Arriagada, Oriel; Berghuis, Jennie L.; Bertarini, Alessandra; Berthold, Ryan; Blanchard, Jay; Brown, Ken; Cardenas, Mauricio; Cantzler, Michael; Caro, Patricio; Castillo-Dominguez, Edgar; Chan, Tin Lok; Chang, Chih-Cheng; Chang, Dominic O.; Chang, Shu-Hao; Chang, Song-Chu; Chen, Chung-Chen; Chilson, Ryan; Chuter, Tim C.; Ciechanowicz, Miroslaw; Colin-Beltran, Edgar; Coulson, Iain M.; Crowley, Joseph; Degenaar, Nathalie; Dornbusch, Sven; Duran, Carlos A.; Everett, Wendeline B.; Faber, Aaron; Forster, Karl; Fuchs, Miriam M.; Gale, David M.; Geertsema, Gertie; Gonzalez, Edouard; Graham, Dave; Gueth, Frederic; Halverson, Nils W.; Han, Chih-Chiang; Han, Kuo-Chang; Hasegawa, Yutaka; Hernandez-Rebollar, Jose Luis; Herrera, Cristian; Herrero-Illana, Ruben; Heyminck, Stefan; Hirota, Akihiko; Hoge, James; Schimpf, Shelbi R. Hostler; Howie, Ryan E.; Huang, Yau-De; Jiang, Homin; Jinchi, Hao; John, David; Kimura, Kimihiro; Klein, Thomas; Kubo, Derek; Kuroda, John; Kwon, Caleb; Lacasse, Richard; Laing, Robert; Leitch, Erik M.; Li, Chao-Te; Liu, Ching-Tang; Liu, Kuan-Yu; Lin, Lupin C-C; Lu, Li-Ming; Mac-Auliffe, Felipe; Martin-Cocher, Pierre; Matulonis, Callie; Maute, John K.; Messias, Hugo; Meyer-Zhao, Zheng; Montana, Alfredo; Montenegro-Montes, Francisco; Montgomerie, William; Nolasco, Marcos Emir Moreno; Muders, Dirk; Nishioka, Hiroaki; Norton, Timothy J.; Nystrom, George; Ogawa, Hideo; Olivares, Rodrigo; Oshiro, Peter; Perez-Beaupuits, Juan Pablo; Parra, Rodrigo; Phillips, Neil M.; Poirier, Michael; Pradel, Nicolas; Qiu, Richard; Raffin, Philippe A.; Rahlin, Alexandra S.; Ramirez, Jorge; Ressler, Sean; Reynolds, Mark; Rodriguez-Montoya, Ivan; Saez-Madain, Alejandro F.; Santana, Jorge; Shaw, Paul; Shirkey, Leslie E., Jr.; Silva, Kevin M.; Snow, William; Sousa, Don; Sridharan, T. K.; Stahm, William; Stark, Anthony A.; Test, John; Torstensson, Karl; Venegas, Paulina; Walther, Craig; Wei, Ta-Shun; White, Chris; Wieching, Gundolf; Wijnands, Rudy; Wouterloot, Jan G. A.; Yu, Chen-Yu; Yu, Wei; Zeballos, Milagros; Event Horizon Telescope Collaboration., We present the first Event Horizon Telescope (EHT) observations of Sagittarius A* (Sgr A*), the Galactic center source associated with a supermassive black hole. These observations were conducted in 2017 using a global interferometric array of eight telescopes operating at a wavelength of λ = 1.3 mm. The EHT data resolve a compact emission region with intrahour variability. A variety of imaging and modeling analyses all support an image that is dominated by a bright, thick ring with a diameter of 51.8 ± 2.3 μas (68% credible interval). The ring has modest azimuthal brightness asymmetry and a comparatively dim interior. Using a large suite of numerical simulations, we demonstrate that the EHT images of Sgr A* are consistent with the expected appearance of a Kerr black hole with mass ∼4 × 106 M⊙, which is inferred to exist at this location based on previous infrared observations of individual stellar orbits, as well as maser proper-motion studies. Our model comparisons disfavor scenarios where the black hole is viewed at high inclination (i > 50°), as well as nonspinning black holes and those with retrograde accretion disks. Our results provide direct evidence for the presence of a supermassive black hole at the center of the Milky Way, and for the first time we connect the predictions from dynamical measurements of stellar orbits on scales of 103–105 gravitational radii to event-horizon-scale images and variability. Furthermore, a comparison with the EHT results for the supermassive black hole M87* shows consistency with the predictions of general relativity spanning over three orders of magnitude in central mass. © 2022. The Author(s). Published by the American Astronomical Society., The Event Horizon Telescope Collaboration thanks the following organizations and programs: the Academia Sinica; the Academy of Finland (projects 274477, 284495, 312496, 315721); the Agencia Nacional de Investigación y Desarrollo (ANID), Chile via NCN19_058 (TITANs) and Fondecyt 1221421, the Alexander von Humboldt Stiftung; an Alfred P. Sloan Research Fellowship; Allegro, the European ALMA Regional Centre node in the Netherlands, the NL astronomy research network NOVA and the astronomy institutes of the University of Amsterdam, Leiden University and Radboud University; the ALMA North America Development Fund; the Black Hole Initiative, which is funded by grants from the John Templeton Foundation and the Gordon and Betty Moore Foundation (although the opinions expressed in this work are those of the author(s) and do not necessarily reflect the views of these Foundations); Chandra DD7-18089X and TM6-17006X; the China Scholarship Council; China Postdoctoral Science Foundation fellowship (2020M671266); Consejo Nacional de Ciencia y Tecnología (CONACYT, Mexico, projects U0004-246083, U0004-259839, F0003-272050, M0037-279006, F0003-281692, 104497, 275201, 263356); the Consejería de Economía, Conocimiento, Empresas y Universidad of the Junta de Andalucía (grant P18-FR-1769), the Consejo Superior de Investigaciones Científicas (grant 2019AEP112); the Delaney Family via the Delaney Family John A. Wheeler Chair at Perimeter Institute; Dirección General de Asuntos del Personal Académico-Universidad Nacional Autónoma de México (DGAPA-UNAM, projects IN112417 and IN112820); the Dutch Organization for Scientific Research (NWO) VICI award (grant 639.043.513) and grant OCENW.KLEIN.113; the Dutch National Supercomputers, Cartesius and Snellius (NWO Grant 2021.013); the EACOA Fellowship awarded by the East Asia Core Observatories Association, which consists of the Academia Sinica Institute of Astronomy and Astrophysics, the National Astronomical Observatory of Japan, Center for Astronomical Mega-Science, Chinese Academy of Sciences, and the Korea Astronomy and Space Science Institute; the European Research Council (ERC) Synergy Grant "BlackHoleCam: Imaging the Event Horizon of Black Holes" (grant 610058); the European Union Horizon 2020 research and innovation programme under grant agreements RadioNet (No 730562) and M2FINDERS (No 101018682); the Generalitat Valenciana postdoctoral grant APOSTD/2018/177 and GenT Program (project CIDEGENT/2018/021); MICINN Research Project PID2019-108995GB-C22; the European Research Council for advanced grant "JETSET: Launching, propagation and emission of relativistic jets from binary mergers and across mass scales" (Grant No. 884631); the Institute for Advanced Study; the Istituto Nazionale di Fisica Nucleare (INFN) sezione di Napoli, iniziative specifiche TEONGRAV; the International Max Planck Research School for Astronomy and Astrophysics at the Universities of Bonn and Cologne; DFG research grant "Jet physics on horizon scales and beyond" (Grant No. FR 4069/2-1); Joint Princeton/Flatiron and Joint Columbia/Flatiron Postdoctoral Fellowships, research at the Flatiron Institute is supported by the Simons Foundation; the Japan Ministry of Education, Culture, Sports, Science and Technology (MEXT; grant JPMXP1020200109); the Japanese Government (Monbukagakusho: MEXT) Scholarship; the Japan Society for the Promotion of Science (JSPS) Grant-in-Aid for JSPS Research Fellowship (JP17J08829); the Joint Institute for Computational Fundamental Science, Japan; the Key Research Program of Frontier Sciences, Chinese Academy of Sciences (CAS, grants QYZDJ-SSW-SLH057, QYZDJSSW-SYS008, ZDBS-LY-SLH011); the Leverhulme Trust Early Career Research Fellowship; the Max-Planck-Gesellschaft (MPG); the Max Planck Partner Group of the MPG and the CAS; the MEXT/JSPS KAKENHI (grants 18KK0090, JP21H01137, JP18H03721, JP18K13594, 18K03709, JP19K14761, 18H01245, 25120007); the Malaysian Fundamental Research Grant Scheme (FRGS) FRGS/1/2019/STG02/UM/02/6; the MIT International Science and Technology Initiatives (MISTI) Funds; the Ministry of Science and Technology (MOST) of Taiwan (103-2119-M-001-010-MY2, 105-2112-M-001-025-MY3, 105-2119-M-001-042, 106-2112-M-001-011, 106-2119-M-001-013, 106-2119-M-001-027, 106-2923-M-001-005, 107-2119-M-001-017, 107-2119-M-001-020, 107-2119-M-001-041, 107-2119-M-110-005, 107-2923-M-001-009, 108-2112-M-001-048, 108-2112-M-001-051, 108-2923-M-001-002, 109-2112-M-001-025, 109-2124-M-001-005, 109-2923-M-001-001, 110-2112-M-003-007-MY2, 110-2112-M-001-033, 110-2124-M-001-007, and 110-2923-M-001-001); the Ministry of Education (MoE) of Taiwan Yushan Young Scholar Program; the Physics Division, National Center for Theoretical Sciences of Taiwan; the National Aeronautics and Space Administration (NASA, Fermi Guest Investigator grant 80NSSC20K1567, NASA Astrophysics Theory Program grant 80NSSC20K0527, NASA NuSTAR award 80NSSC20K0645); NASA Hubble Fellowship grant HST-HF2-51431.001-A awarded by the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., for NASA, under contract NAS5-26555; the National Institute of Natural Sciences (NINS) of Japan; the National Key Research and Development Program of China (grant 2016YFA0400704, 2017YFA0402703, 2016YFA0400702); the National Science Foundation (NSF, grants AST-0096454, AST-0352953, AST-0521233, AST-0705062, AST-0905844, AST-0922984, AST-1126433, AST-1140030, DGE-1144085, AST-1207704, AST-1207730, AST-1207752, MRI-1228509, OPP-1248097, AST-1310896, AST-1440254, AST-1555365, AST-1614868, AST-1615796, AST-1715061, AST-1716327, AST-1716536, OISE-1743747, AST-1816420, AST-1935980, AST-2034306); NSF Astronomy and Astrophysics Postdoctoral Fellowship (AST-1903847); the Natural Science Foundation of China (grants 11650110427, 10625314, 11721303, 11725312, 11873028, 11933007, 11991052, 11991053, 12192220, 12192223); the Natural Sciences and Engineering Research Council of Canada (NSERC, including a Discovery Grant and the NSERC Alexander Graham Bell Canada Graduate Scholarships-Doctoral Program); the National Youth Thousand Talents Program of China; the National Research Foundation of Korea (the Global PhD Fellowship Grant: grants NRF-2015H1A2A1033752, the Korea Research Fellowship Program: NRF-2015H1D3A1066561, Brain Pool Program: 2019H1D3A1A01102564, Basic Research Support Grant 2019R1F1A1059721, 2021R1A6A3A01086420, 2022R1C1C1005255); Netherlands Research School for Astronomy (NOVA) Virtual Institute of Accretion (VIA) postdoctoral fellowships; Onsala Space Observatory (OSO) national infrastructure, for the provisioning of its facilities/observational support (OSO receives funding through the Swedish Research Council under grant 2017-00648); the Perimeter Institute for Theoretical Physics (research at Perimeter Institute is supported by the Government of Canada through the Department of Innovation, Science and Economic Development and by the Province of Ontario through the Ministry of Research, Innovation and Science); the Spanish Ministerio de Ciencia e Innovación (grants PGC2018-098915-B-C21, AYA2016-80889-P, PID2019-108995GB-C21, PID2020-117404GB-C21); the University of Pretoria for financial aid in the provision of the new Cluster Server nodes and SuperMicro (USA) for a SEEDING GRANT approved towards these nodes in 2020; the Shanghai Pilot Program for Basic Research, Chinese Academy of Science, Shanghai Branch (JCYJ-SHFY-2021-013); the State Agency for Research of the Spanish MCIU through the "Center of Excellence Severo Ochoa" award for the Instituto de Astrofísica de Andalucía (SEV-2017- 0709); the Spinoza Prize SPI 78-409; the South African Research Chairs Initiative, through the South African Radio Astronomy Observatory (SARAO, grant ID 77948), which is a facility of the National Research Foundation (NRF), an agency of the Department of Science and Innovation (DSI) of South Africa; the Toray Science Foundation; Swedish Research Council (VR); the US Department of Energy (USDOE) through the Los Alamos National Laboratory (operated by Triad National Security, LLC, for the National Nuclear Security Administration of the USDOE (Contract 89233218CNA000001); and the YCAA Prize Postdoctoral Fellowship. APEX is a collaboration between the Max-Planck-Institut für Radioastronomie (Germany), ESO, and the Onsala Space Observatory (Sweden). The SMA is a joint project between the SAO and ASIAA and is funded by the Smithsonian Institution and the Academia Sinica. The JCMT is operated by the East Asian Observatory on behalf of the NAOJ, ASIAA, and KASI, as well as the Ministry of Finance of China, Chinese Academy of Sciences, and the National Key Research and Development Program (No. 2017YFA0402700) of China and Natural Science Foundation of China grant 11873028. Additional funding support for the JCMT is provided by the Science and Technologies Facility Council (UK) and participating universities in the UK and Canada. The LMT is a project operated by the Instituto Nacional de Astrófisica, Óptica, y Electrónica (Mexico) and the University of Massachusetts at Amherst (USA). The IRAM 30-m telescope on Pico Veleta, Spain is operated by IRAM and supported by CNRS (Centre National de la Recherche Scientifique, France), MPG (Max-Planck-Gesellschaft, Germany) and IGN (Instituto Geográfico Nacional, Spain). The SMT is operated by the Arizona Radio Observatory, a part of the Steward Observatory of the University of Arizona, with financial support of operations from the State of Arizona and financial support for instrumentation development from the NSF. Support for SPT participation in the EHT is provided by the National Science Foundation through award OPP-1852617 to the University of Chicago. Partial support is also provided by the Kavli Institute of Cosmological Physics at the University of Chicago. The SPT hydrogen maser was provided on loan from the GLT, courtesy of ASIAA. This work used the Extreme Science and Engineering Discovery Environment (XSEDE), supported by NSF grant ACI-1548562, and CyVerse, supported by NSF grants DBI-0735191, DBI-1265383, and DBI-1743442. XSEDE Stampede2 resource at TACC was allocated through TG-AST170024 and TG-AST080026N. XSEDE JetStream resource at PTI and TACC was allocated through AST170028. This research is part of the Frontera computing project at the Texas Advanced Computing Center through the Frontera Large-Scale Community Partnerships allocation AST20023. Frontera is made possible by National Science Foundation award OAC-1818253. This research was carried out using resources provided by the Open Science Grid, which is supported by the National Science Foundation and the U.S. Department of Energy Office of Science. Additional work used ABACUS2.0, which is part of the eScience center at Southern Denmark University. Simulations were also performed on the SuperMUC cluster at the LRZ in Garching, on the LOEWE cluster in CSC in Frankfurt, on the HazelHen cluster at the HLRS in Stuttgart, and on the Pi2.0 and Siyuan Mark-I at Shanghai Jiao Tong University. The computer resources of the Finnish IT Center for Science (CSC) and the Finnish Computing Competence Infrastructure (FCCI) project are acknowledged. This research was enabled in part by support provided by Compute Ontario (http://computeontario.ca), Calcul Quebec (http://www.calculquebec.ca) and Compute Canada (http://www.computecanada.ca).

This article summarizes technical advances contained in the fifth major release of the Q-Chem quantum chemistry program package, covering developments since 2015. A comprehensive library of exchange–correlation functionals, along with a suite of correlated many-body methods, continues to be a hallmark of the Q-Chem software. The many-body methods include novel variants of both coupled-cluster and configuration-interaction approaches along with methods based on the algebraic diagrammatic construction and variational reduced density-matrix methods. Methods highlighted in Q-Chem 5 include a suite of tools for modeling core-level spectroscopy, methods for describing metastable resonances, methods for computing vibronic spectra, the nuclear–electronic orbital method, and several different energy decomposition analysis techniques. High-performance capabilities including multithreaded parallelism and support for calculations on graphics processing units are described. Q-Chem boasts a community of well over 100 active academic developers, and the continuing evolution of the software is supported by an “open teamware” model and an increasingly modular design. This article summarizes technical advances contained in the fifth major release of the Q-Chem quantum chemistry program package, covering developments since 2015. A comprehensive library of exchange-correlation functionals, along with a suite of correlated many-body methods, continues to be a hallmark of the Q-Chem software. The many-body methods include novel variants of both coupled-cluster and configuration-interaction approaches along with methods based on the algebraic diagrammatic construction and variational reduced density-matrix methods. Methods highlighted in Q-Chem 5 include a suite of tools for modeling core-level spectroscopy, methods for describing metastable resonances, methods for computing vibronic spectra, the nuclear-electronic orbital method, and several different energy decomposition analysis techniques. High-performance capabilities including multithreaded parallelism and support for calculations on graphics processing units are described. Q-Chem boasts a community of well over 100 active academic developers, and the continuing evolution of the software is supported by an "open teamware" model and an increasingly modular design.

We introduce an implementation of the truncated many-body expansion, MBE(n), in which the n-body corrections are screened using the effective fragment potential force field, and only those that exceed a specified energy threshold are computed at a quantum-mechanical level of theory. This energy-screened MBE(n) approach is tested at the n = 3 level for a sequence of water clusters, (H2O)N=6-34. A threshold of 0.25 kJ/mol eliminates more than 80% of the subsystem electronic structure calculations and is even more efficacious in that respect than is distance-based screening. Even so, the energy-screened MBE(3) method is faithful to a full-system quantum chemistry calculation to within 1-2 kJ/mol/monomer, even in good quality basis sets such as aug-cc-pVTZ. These errors can be reduced by means of a two-layer approach that involves a Hartree-Fock calculation for the entire cluster. Such a correction proves to be necessary in order to obtain accurate relative energies for conformational isomers of (H2O)20, but the cost of a full-system Hartree-Fock calculation remains smaller than the cost of three-body subsystem calculations at correlated levels of theory. At the level of second-order Moller-Plesset perturbation theory (MP2), a screened MBE(3) calculation plus a full-system Hartree-Fock calculation is less expensive than a full-system MP2 calculation starting at N = 12 water molecules. This is true even if all MBE(3) subsystem calculations are performed on a single 40-core compute node, i.e., without significant parallelization. Energy-screened MBE(n) thus provides a fragment-based method that is accurate, stable in large basis sets, and low in cost, even when the latter is measured in aggregate computer time.

The many-body expansion (MBE) and its extension to overlapping fragments, the generalized (G)MBE, constitute the theoretical basis for most fragment-based approaches for large-scale quantum chemistry. We reformulate the GMBE for use with embedding charges determined self-consistently from the fragment wave functions, in a manner that preserves the variational nature of the underlying self-consistent field method. As a result, the analytic gradient retains the simple “sum of fragment gradients” form that is often assumed in practice, sometimes incorrectly. This obviates (without approximation) the need to solve coupled-perturbed equations, and we demonstrate stable, fragment-based ab initio molecular dynamics simulations using this technique. Energy conservation fails when charge-response contributions to the Fock matrix are neglected, even while geometry optimizations and vibrational frequency calculations may yet be accurate. Stable simulations can be recovered by means of straightforward modifications i...

Symmetry-adapted perturbation theory (SAPT) provides a chemically meaningful energy decomposition scheme for nonbonded interactions that is useful for interpretive purposes. Although formally a dimer theory, we have previously introduced an "extended" version (XSAPT) that incorporates many-body polarization via self-consistent charge embedding. Here, we extend the XSAPT methodology to include nonadditive dispersion, using a modified form of the many-body dispersion (MBD) method of Tkatchenko and co-workers. Dispersion interactions beyond the pairwise atom-atom approximation improve total interaction energies even in small systems, and for large π-stacked complexes these corrections can amount to several kilocalories per mole. The XSAPT+MBD method introduced here achieves errors of ≲1 kcal/mol (as compared to high-level ab initio benchmarks) for the L7 data set of large dispersion-bound complexes and ≲4 kcal/mol (as compared to experiment) for the S30L data set of host-guest complexes. This is superior to the best contemporary density functional methods for noncovalent interactions, at comparable or lower cost. XSAPT+MBD represents a promising method for application to supramolecular assemblies, including protein-ligand binding.

This investigation compared the emotional impact caused by a crowd of affective virtual humans (VHs) that communicated in the users' native or foreign language. We evaluated the users' affective reactions to a crowd of VHs that exhibited distinct emotional expressions. A total of four emotions were presented, which were Positive, Negative, Neutral, and Mixed. The VHs performed verbal and non-behaviors accordingly. Under the Mixed condition, the VHs were divided into three groups equally and each group was uniquely assigned one of the three emotions (i.e., positive, negative, and neutral). Users collected ten items from a virtual reality market. To complete the tasks, they interacted using natural speech with the emotional VHs. Three language conditions were investigated: one condition in USA and another two conditions in Taiwan. The group of participants in USA interacted with the VHs in English; and the two groups of participants in Taiwan interacted with the VHs using a foreign (English) language and a native (Mandarin) language respectively. We discovered that the medium of communication or language familiarity had a strong influence on participants' emotional reactions. When participants interacted in a foreign language with VHs with a positive emotional disposition, we found their positive emotional reactions were subdued and negative reactions were elevated. However, this was not the case when participants interacted with VHs in their native language, as their emotional reactions were contingent on the emotional disposition of the VHs.

The Greenland Telescope (GLT), currently located at Thule Air Base, is a 12-m single dish telescope operating at frequencies of 86, 230 and 345 GHz. Since April 2018, the GLT has regularly participated in (sub-)mm VLBI observations of supermassive black holes as part of the Event Horizon Telescope (EHT) and the Global mm VLBI Array (GMVA). We present the status of scientific commissioning activities at the GLT, including most recently the 345 GHz first light and test observations. The antenna surface accuracy has been improved to ~25 microns through panel adjustments aided by photogrammetry, significantly increasing the antenna efficiency. Through all-sky spectral line pointing observations (SiO masers at 86 GHz and CO at 230 and 345 GHz), we have improved the radio pointing accuracy down to

We describe the latest development of the control and monitoring system of the Greenland Telescope (GLT). The GLT is a 12-m radio telescope aiming to carry out the sub-millimeter Very Long Baseline Interferometry (VLBI) observations through the Event Horizon Telescope (EHT) and the Global Millimeter VLBI Array (GMVA), to image the shadows of super massive black holes. The telescope is currently located at the Thule Air Base for commissioning before deployed to the Summit Station. The GLT participated in the VLBI observing campaigns in 2018 and 2019 and fringes were successfully detected at 86 and 230 GHz. Our antenna control software was adapted from the Submillimeter Array (SMA), and as a result for single-dish observations we added new routines to coordinate it with other instruments. We are exploring new communication interfaces; we utilized both in-memory and on-disk databases to be part of the interfaces not only for hardware monitoring but also for engineering event logging. We plan to incorporate the system of the James Clerk Maxwell Telescope for the full Linux-based receiver control. The current progress of integrating our receivers, spectrometers, sub-reflector, and continuum detector into control is presented, together with the implementation of the commissioning software for spectral line pointing. We also describe how we built the anti-collision protection and the recovery mechanism for the sub-reflector hexapod.

We have fabricated new superconductor-insulator-superconductor (SIS) mixers chips for the 16-element Heterodyne Array Receiver Program (HARP) instrument on the James Clerk Maxwell Telescope (JCMT). The original spare mixer chips were limited and not performed as well as the used ones in HARP. The ability to manufacture new mixer chips would therefore be important for the repair and upgrade of HARP. Our immediate goal is to replace the current nonfunctional mixers in HARP with new chips. We modified the designs of waveguide probe and the matching circuit of the SIS mixer chip. The newly designed chips were fabricated with a quality factor (Rsg/Rn) over 10. The double-sideband (DSB) receiver noise temperature (Trx) is lower than 80K at frequencies between 325 GHz and 375 GHz, which is comparable to the best of the original devices. Three of the sixteen mixers have been replaced and they work very well.

Open Access article, published by EDP Sciences, under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. Open Access funding provided by Max Planck Society.--All authors: Kim, Jae-Young; Krichbaum, Thomas P.; Broderick, Avery E.; Wielgus, Maciek; Blackburn, Lindy; Gómez, José L.; Johnson, Michael D.; Bouman, Katherine L.; Chael, Andrew; Akiyama, Kazunori; Jorstad, Svetlana; Marscher, Alan P.; Issaoun, Sara; Janssen, Michael; Chan, Chi-kwan; Savolainen, Tuomas; Pesce, Dominic W.; Özel, Feryal; Alberdi, Antxon; Alef, Walter Asada, Keiichi; Azulay, Rebecca; Baczko, Anne-Kathrin; Ball, David; Baloković, Mislav; Barrett, John; Bintley, Dan; Boland, Wilfred; Bower, Geoffrey C.; Bremer, Michael; Brinkerink, Christiaan D.; Brissenden, Roger; Britzen, Silke; Broguiere, Dominique; Bronzwaer, Thomas; Byun, Do-Young; Carlstrom, John E.; Chatterjee, Shami; Chatterjee, Koushik; Chen, Ming-Tang; Chen, Yongjun; Cho, Ilje; Christian, Pierre; Conway, John E.; Cordes, James M.; Crew, Geoffrey B.; Cui, Yuzhu; Davelaar, Jordy; De Laurentis, Mariafelicia; Deane, Roger; Dempsey, Jessica; Desvignes, Gregory; Dexter, Jason; Doeleman, Sheperd S.; Eatough, Ralph P.; Falcke, Heino; Fish, Vincent L.; Fomalont, Ed; Fraga-Encinas, Raquel; Friberg, Per; Fromm, Christian M.; Galison, Peter; Gammie, Charles F.; García, Roberto; Gentaz, Olivier; Georgiev, Boris; Goddi, Ciriaco; Gold, Roman; Gómez-Ruiz, Arturo I.; Gu, Minfeng; Gurwell, Mark; Hada, Kazuhiro; Hecht, Michael H.; Hesper, Ronald; Ho, Luis C.; Ho, Paul; Honma, Mareki; Huang, Chih-Wei L.; Huang, Lei; Hughes, David H.; Ikeda, Shiro; Inoue, Makoto; James, David J.; Jannuzi, Buell T.; Jeter, Britton; Jiang, Wu; Jimenez-Rosales, Alejandra; Jung, Taehyun; Karami, Mansour; Karuppusamy, Ramesh; Kawashima, Tomohisa; Keating, Garrett K.; Kettenis, Mark; Kim, Junhan; Kim, Jongsoo; Kino, Motoki; Koay, Jun Yi; Koch, Patrick M.; Koyama, Shoko; Kramer, Michael; Kramer, Carsten; Kuo, Cheng-Yu; Lauer, Tod R.; Lee, Sang-Sung; Li, Yan-Rong; Li, Zhiyuan; Lindqvist, Michael; Lico, Rocco; Liu, Kuo; Liuzzo, Elisabetta; Lo, Wen-Ping; Lobanov, Andrei P.; Loinard, Laurent; Lonsdale, Colin; Lu, Ru-Sen; MacDonald, Nicholas R.; Mao, Jirong; Markoff, Sera; Marrone, Daniel P.; Martí-Vidal, Iván; Matsushita, Satoki; Matthews, Lynn D.; Medeiros, Lia; Menten, Karl M.; Mizuno, Yosuke; Mizuno, Izumi; Moran, James M.; Moriyama, Kotaro; Moscibrodzka, Monika; Musoke, Gibwa; Müller, Cornelia; Nagai, Hiroshi; Nagar, Neil M.; Nakamura, Masanori; Narayan, Ramesh; Narayanan, Gopal; Natarajan, Iniyan; Neri, Roberto; Ni, Chunchong; Noutsos, Aristeidis; Okino, Hiroki; Olivares, Héctor; Ortiz-León, Gisela N.; Oyama, Tomoaki; Palumbo, Daniel C. M.; Park, Jongho; Patel, Nimesh; Pen, Ue-Li; Piétu, Vincent; Plambeck, Richard; PopStefanija, Aleksandar; Porth, Oliver; Prather, Ben; Preciado-López, Jorge A.; Psaltis, Dimitrios; Pu, Hung-Yi; Ramakrishnan, Venkatessh; Rao, Ramprasad; Rawlings, Mark G.; Raymond, Alexander W.; Rezzolla, Luciano; Ripperda, Bart; Roelofs, Freek; Rogers, Alan; Ros, Eduardo; Rose, Mel; Roshanineshat, Arash; Rottmann, Helge; Roy, Alan L.; Ruszczyk, Chet; Ryan, Benjamin R.; Rygl, Kazi L. J.; Sánchez, Salvador; Sánchez-Arguelles, David; Sasada, Mahito; Schloerb, F. Peter; Schuster, Karl-Friedrich; Shao, Lijing; Shen, Zhiqiang; Small, Des; Sohn, Bong Won; SooHoo, Jason; Tazaki, Fumie; Tiede, Paul; Tilanus, Remo P. J.; Titus, Michael; Toma, Kenji; Torne, Pablo; Trent, Tyler; Traianou, Efthalia; Trippe, Sascha; Tsuda, Shuichiro; van Bemmel, Ilse; van Langevelde, Huib Jan; van Rossum, Daniel R.; Wagner, Jan; Wardle, John; Ward-Thompson, Derek; Weintroub, Jonathan; Wex, Norbert; Wharton, Robert; Wong, George N.; Wu, Qingwen; Yoon, Doosoo; Young, André; Young, Ken; Younsi, Ziri; Yuan, Feng; Yuan, Ye-Fei; Zensus, J. Anton; Zhao, Guangyao; Zhao, Shan-Shan; Zhu, Ziyan; Algaba, Juan-Carlos; Allardi, Alexander; Amestica, Rodrigo; Anczarski, Jadyn; Bach, Uwe; Baganoff, Frederick K.; Beaudoin, Christopher; Benson, Bradford A.; Berthold, Ryan; Blanchard, Jay M.; Blundell, Ray; Bustamente, Sandra; Cappallo, Roger; Castillo-Domínguez, Edgar; Chang, Chih-Cheng; Chang, Shu-Hao; Chang, Song-Chu; Chen, Chung-Chen; Chilson, Ryan; Chuter, Tim C.; Rosado, Rodrigo Córdova; Coulson, Iain M.; Crowley, Joseph; Derome, Mark; Dexter, Matthew; Dornbusch, Sven; Dudevoir, Kevin A.; Dzib, Sergio A.; Eckart, Andreas; Eckert, Chris; Erickson, Neal R.; Everett, Wendeline B.; Faber, Aaron; Farah, Joseph R.; Fath, Vernon; Folkers, Thomas W.; Forbes, David C.; Freund, Robert; Gale, David M.; Gao, Feng; Geertsema, Gertie; Graham, David A.; Greer, Christopher H.; Grosslein, Ronald; Gueth, Frédéric; Haggard, Daryl; Halverson, Nils W.; Han, Chih-Chiang; Han, Kuo-Chang; Hao, Jinchi; Hasegawa, Yutaka; Henning, Jason W.; Hernández-Gómez, Antonio; Herrero-Illana, Rubén; Heyminck, Stefan; Hirota, Akihiko; Hoge, James; Huang, Yau-De; Violette Impellizzeri, C. M.; Jiang, Homin; John, David; Kamble, Atish; Keisler, Ryan; Kimura, Kimihiro; Kono, Yusuke; Kubo, Derek; Kuroda, John; Lacasse, Richard; Laing, Robert A.; Leitch, Erik M.; Li, Chao-Te; Lin, Lupin C. -C.; Liu, Ching-Tang; Liu, Kuan-Yu; Lu, Li-Ming; Marson, Ralph G.; Martin-Cocher, Pierre L.; Massingill, Kyle D.; Matulonis, Callie; McColl, Martin P.; McWhirter, Stephen R.; Messias, Hugo; Meyer-Zhao, Zheng; Michalik, Daniel; Montaña, Alfredo; Montgomerie, William; Mora-Klein, Matias; Muders, Dirk; Nadolski, Andrew; Navarro, Santiago; Neilsen, Joseph; Nguyen, Chi H.; Nishioka, Hiroaki; Norton, Timothy; Nowak, Michael A.; Nystrom, George; Ogawa, Hideo; Oshiro, Peter; Oyama, Tomoaki; Parsons, Harriet; Peñalver, Juan; Phillips, Neil M.; Poirier, Michael; Pradel, Nicolas; Primiani, Rurik A.; Raffin, Philippe A.; Rahlin, Alexandra S.; Reiland, George; Risacher, Christopher; Ruiz, Ignacio; Sáez-Madaín, Alejandro F.; Sassella, Remi; Schellart, Pim; Shaw, Paul; Silva, Kevin M.; Shiokawa, Hotaka; Smith, David R.; Snow, William; Souccar, Kamal; Sousa, Don; Sridharan, Tirupati K.; Srinivasan, Ranjani; Stahm, William; Stark, Antony A.; Story, Kyle; Timmer, Sjoerd T.; Vertatschitsch, Laura; Walther, Craig; Wei, Ta-Shun; Whitehorn, Nathan; Whitney, Alan R.; Woody, David P.; Wouterloot, Jan G. A.; Wright, Melvin; Yamaguchi, Paul; Yu, Chen-Yu; Zeballos, Milagros; Zhang, Shuo; Ziurys, Lucy; Event Horizon Telescope Collaboration, 3C 279 is an archetypal blazar with a prominent radio jet that show broadband flux density variability across the entire electromagnetic spectrum. We use an ultra-high angular resolution technique - global Very Long Baseline Interferometry (VLBI) at 1.3mm (230 GHz) - to resolve the innermost jet of 3C 279 in order to study its fine-scale morphology close to the jet base where highly variable-ray emission is thought to originate, according to various models. The source was observed during four days in April 2017 with the Event Horizon Telescope at 230 GHz, including the phased Atacama Large Millimeter/submillimeter Array, at an angular resolution of ∼20 μas (at a redshift of z = 0:536 this corresponds to ∼0:13 pc ∼ 1700 Schwarzschild radii with a black hole mass MBH = 8 × 108 M⊙). Imaging and model-fitting techniques were applied to the data to parameterize the fine-scale source structure and its variation.We find a multicomponent inner jet morphology with the northernmost component elongated perpendicular to the direction of the jet, as imaged at longer wavelengths. The elongated nuclear structure is consistent on all four observing days and across diffierent imaging methods and model-fitting techniques, and therefore appears robust. Owing to its compactness and brightness, we associate the northern nuclear structure as the VLBI "core". This morphology can be interpreted as either a broad resolved jet base or a spatially bent jet.We also find significant day-to-day variations in the closure phases, which appear most pronounced on the triangles with the longest baselines. Our analysis shows that this variation is related to a systematic change of the source structure. Two inner jet components move non-radially at apparent speeds of ∼15 c and ∼20 c (∼1:3 and ∼1:7 μas day-1, respectively), which more strongly supports the scenario of traveling shocks or instabilities in a bent, possibly rotating jet. The observed apparent speeds are also coincident with the 3C 279 large-scale jet kinematics observed at longer (cm) wavelengths, suggesting no significant jet acceleration between the 1.3mm core and the outer jet. The intrinsic brightness temperature of the jet components are ≤1010 K, a magnitude or more lower than typical values seen at ≥7mm wavelengths. The low brightness temperature and morphological complexity suggest that the core region of 3C 279 becomes optically thin at short (mm) wavelengths. © J.-Y. Kim et al. 2020., The authors of the present paper thank the following organizations and programs: the Academy of Finland (projects 274477, 284495, 312496); the Advanced European Network of E-infrastructures for Astronomy with the SKA (AENEAS) project, supported by the European Commission Framework Programme Horizon 2020 Research and Innovation action under grant agreement 731016; the Alexander von Humboldt Stiftung; the Black Hole Initiative at Harvard University, through a grant (60477) from the John Templeton Foundation; the China Scholarship Council; Comision Nacional de Investigacion Cientifica y Tecnologica (CONICYT, Chile, via PIA ACT172033, Fondecyt projects 1171506 and 3190878, BASAL AFB-170002, ALMA-conicyt 31140007); Consejo Nacional de Ciencia y Tecnologia (CONACYT, Mexico, projects 104497, 275201, 279006, 281692); the Delaney Family via the Delaney Family John A. Wheeler Chair at Perimeter Institute; Direccion General de Asuntos del Personal Academico -Universidad Nacional Autonoma de Mexico (DGAPA -UNAM, project IN112417); the European Research Council Synergy Grant "BlackHoleCam: Imaging the Event Horizon of Black Holes" (grant 610058); the Generalitat Valenciana postdoctoral grant APOSTD/2018/177 and GenT Program (project CIDEGENT/2018/021); the Gordon and Betty Moore Foundation (grants GBMF-3561, GBMF-5278); the Istituto Nazionale di Fisica Nucleare (INFN) sezione di Napoli, iniziative specifiche TEONGRAV; the International Max Planck Research School for Astronomy and Astrophysics at the Universities of Bonn and Cologne; the Jansky Fellowship program of the National Radio Astronomy Observatory (NRAO); the Japanese Government (Monbukagakusho: MEXT) Scholarship; the Japan Society for the Promotion of Science (JSPS) Grant-inAid for JSPS Research Fellowship (JP17J08829); the Key Research Program of Frontier Sciences, Chinese Academy of Sciences (CAS, grants QYZDJSSW-SLH057, QYZDJ-SSW-SYS008, ZDBS-LY-SLH011); the Leverhulme Trust Early Career Research Fellowship; the Malaysian Fundamental Research Grant Scheme (FRGS, grant FRGS/1/2019/STG02/UM/02/6); the Max-PlanckGesellschaft (MPG); the Max Planck Partner Group of the MPG and the CAS; the MEXT/JSPS KAKENHI (grants 18KK0090, JP18K13594, JP18K03656, JP18H03721, 18K03709, 18H01245, 25120007); the MIT International Science and Technology Initiatives (MISTI) Funds; the Ministry of Science and Technology (MOST) of Taiwan (105-2112-M-001-025-MY3, 106-2112-M-001-011, 106-2119-M-001-027, 107-2119-M-001-017, 107-2119-M-001-020, and 107-2119-M-110-005); the National Aeronautics and Space Administration (NASA, Fermi Guest Investigator grant 80NSSC17K0649 and Hubble Fellowship grant HST-HF2-51431.001-A awarded by the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc. r , for NASA, under contract NAS5-26555); the National Institute of Natural Sciences (NINS) of Japan; the National Key Research and Development Program of China (grant 2016YFA0400704, 2016YFA0400702); the National Science Foundation (NSF, grants AST-0096454, AST-0352953, AST-0521233, AST-0705062, AST-0905844, AST-0922984, AST-1126433, AST-1140030, DGE-1144085, AST-1207704, AST-1207730, AST-1207752, MRI-1228509, OPP-1248097, AST-1310896, AST-1312651, AST-1337663, AST-1440254, AST-1555365, AST-1715061, AST-1615796, AST-1716327, OISE-1743747, AST-1816420); the Natural Science Foundation of China (grants 11573051, 11633006, 11650110427, 10625314, 11721303, 11725312, 11933007); the Natural Sciences and Engineering Research Council of Canada (NSERC, including a Discovery Grant and the NSERC Alexander Graham Bell Canada Graduate Scholarships-Doctoral Program); the National Youth Thousand Talents Program of China; the National Research Foundation of Korea (the Global PhD Fellowship Grant: grants NRF-2015H1A2A1033752, 2015-R1D1A1A01056807, the Korea Research Fellowship Program: NRF-2015H1D3A1066561); the Netherlands Organization for Scientific Research (NWO) VICI award (grant 639.043.513) and Spinoza Prize SPI 78-409; the New Scientific Frontiers with Precision Radio Interferometry Fellowship awarded by the South African Radio Astronomy Observatory (SARAO), which is a facility of the National Research Foundation (NRF), an agency of the Department of Science and Technology (DST) of South Africa; the Onsala Space Observatory (OSO) national infrastructure, for the provisioning of its facilities/observational support (OSO receives funding through the Swedish Research Council under grant 2017-00648) the Perimeter Institute for Theoretical Physics (research at Perimeter Institute is supported by the Government of Canada through the Department of Innovation, Science and Economic Development and by the Province of Ontario through the Ministry of Research, Innovation and Science); the Russian Science Foundation (grant 17-12-01029); the Spanish Ministerio de Economia y Competitividad (grants PGC2018-098915-B-C21, AYA201680889-P); the State Agency for Research of the Spanish MCIU through the "Center of Excellence Severo Ochoa" award for the Instituto de Astrofisica de Andalucia (SEV-2017-0709); the Toray Science Foundation; the US Department of Energy (USDOE) through the Los Alamos National Laboratory (operated by Triad National Security, LLC, for the National Nuclear Security Administration of the USDOE (Contract 89233218CNA000001)); the Italian Ministero dell'Istruzione Universita e Ricerca through the grant Progetti Premiali 2012-iALMA (CUP C52I13000140001); the European Union's Horizon 2020 research and innovation programme under grant agreement No 730562 RadioNet; ALMA North America Development Fund; the Academia Sinica; Chandra TM6-17006X; the GenT Program (Generalitat Valenciana) Project CIDEGENT/2018/021. This work used the Extreme Science and Engineering Discovery Environment (XSEDE), supported by NSF grant ACI-1548562, and CyVerse, supported by NSF grants DBI-0735191, DBI-1265383, and DBI1743442. XSEDE Stampede2 resource at TACC was allocated through TGAST170024 and TG-AST080026N. XSEDE JetStream resource at PTI and TACC was allocated through AST170028. The simulations were performed in part on the SuperMUC cluster at the LRZ in Garching, on the LOEWE cluster in CSC in Frankfurt, and on the HazelHen cluster at the HLRS in Stuttgart. This research was enabled in part by support provided by Compute Ontario (http://computeontario. r ca), Calcul Quebec (http://www.calculquebec.ca) and Compute Canada (http://www.computecanada.ca).We thank the sta ff at the participating observatories, correlation centers, and institutions for their enthusiastic support. This paper makes use of the following ALMA data: ADS/JAO.ALMA#2016.1.01154.V, ADS/JAO.ALMA#2016.1.01176.V. ALMA is a partnership of the European Southern Observatory (ESO; Europe, representing its member states), NSF, and National Institutes of Natural Sciences of Japan, together with National Research Council (Canada), Ministry of Science and Technology (MOST; Taiwan), Academia Sinica Institute of Astronomy and Astrophysics (ASIAA; Taiwan), and Korea Astronomy and Space Science Institute (KASI; Republic of Korea), in cooperation with the Republic of Chile. The Joint ALMA Observatory is operated by ESO, Associated Universities, Inc. (AUI)/NRAO, and the National Astronomical Observatory of Japan (NAOJ). The NRAO is a facility of the NSF operated under cooperative agreement by AUI. APEX is a collaboration between the Max-Planck-Institut fur Radioastronomie (Germany), ESO, and the Onsala Space Observatory (Sweden). The SMA is a joint project between the SAO and ASIAA and is funded by the Smithsonian Institution and the Academia Sinica. The JCMT is operated by the East Asian Observatory on behalf of the NAOJ, ASIAA, and KASI, as well as the Ministry of Finance of China, Chinese Academy of Sciences, and the National Key R&D Program (No. 2017YFA0402700) of China. Additional funding support for the JCMT is provided by the Science and Technologies Facility Council (UK) and participating universities in the UK and Canada. The LMT is a project operated by the Instituto Nacional de Astrofisica, Optica, y Electronica (Mexico) and the University of Massachusetts at Amherst (USA). The IRAM 30-m telescope on Pico Veleta, Spain is operated by IRAM and supported by CNRS (Centre National de la Recherche Scientifique, France), MPG (Max-Planck-Gesellschaft, Germany) and IGN (Instituto Geografico Nacional, Spain). The SMT is operated by the Arizona Radio Observatory, a part of the Steward Observatory of the University of Arizona, with financial support of operations from the State of Arizona and financial support for instrumentation development from the NSF. The SPT is supported by the National Science Foundation through grant PLR1248097. Partial support is also provided by the NSF Physics Frontier Center grant PHY-1125897 to the Kavli Institute of Cosmological Physics at the University of Chicago, the Kavli Foundation and the Gordon and Betty Moore Foundation grant GBMF 947. The SPT hydrogen maser was provided on loan from the GLT, courtesy of ASIAA. The EHTC has received generous donations of FPGA chips from Xilinx Inc., under the Xilinx University Program. The EHTC has benefited from technology shared under open-source license by the Collaboration for Astronomy Signal Processing and Electronics Research (CASPER). The EHT project is grateful to T4Science and Microsemi for their assistance with Hydrogen Masers. This research has made use of NASA's Astrophysics Data System. We gratefully acknowledge the support provided by the extended sta ff of the ALMA, both from the inception of the ALMA Phasing Project through the observational campaigns of 2017 and 2018. We would like to thank A. Deller and W. Brisken for EHT-specific support with the use of DiFX. We acknowledge the significance that Maunakea, where the SMA and JCMT EHT stations are located, has for the indigenous Hawaiian people. r This research has made use of data obtained with the Global Millimeter VLBI Array (GMVA), which consists of telescopes operated by the MPIfR, IRAM, Onsala, Metsahovi, Yebes, the Korean VLBI Network, the Green Bank Observatory and the Very Long Baseline Array (VLBA). The VLBA is an instrument of the National Radio Astronomy Observatory. The National Radio Astronomy Observatory is a facility of the National Science Foundation operated by Associated Universities, Inc. The data were correlated at the correlator of the MPIfR in Bonn, Germany. This study makes use of 43 GHz VLBA data from the VLBA-BU Blazar Monitoring Program (VLBABU-BLAZAR; http://www.bu.edu/blazars/VLBAproject.html), funded by NASA through the Fermi Guest Investigator Program.

In this contribution we examined the effects on users during interaction with a virtual human crowd in an immersive virtual reality environment. We developed an agent-based crowd model with rich properties including eye gaze, facial expression, body motion, and verbal and non-verbal behaviors. The scenario was a virtual market in which the users needed to gather specific items. In a betweensubjects design, users interacted with a virtual human crowd that showed opposite valenced emotional expressions. There are four conditions in the between-subjects design. These includes different affective virtual crowds namely, Positive, Negative, Neutral, and a Mix condition. The Mix group is defined by a combination of Positive, Negative and Neutral emotional expressive characters. Depending on the specific condition, the virtual humans showed specific verbal and non-verbal behaviors. During the experiment we collected objective measures such as skin electrodermal activity, total time in the simulation, the number of interactions with the agents and performance measures. The subjective measures were the differential emotional survey (DES), and a user experience survey. We reported our findings with an in-depth analysis.

Analytic Hessians are often viewed as essential for the calculation of accurate harmonic frequencies, but the implementation of analytic second derivatives is nontrivial and solution of the requisite coupled-perturbed equations engenders a sizable memory footprint for large systems, given that these equations are not required for energy and gradient calculations in density functional theory. Here, we benchmark the alternative approach to harmonic frequencies based on finite differences of analytic first derivatives, a procedure that is amenable to large-scale parallelization. Not only for absolute frequencies but also for isotopic and conformer-dependent frequency shifts in flexible molecules, we find that the finite-difference approach exhibits mean errors

Diagnostic ion-molecule reactions using tandem mass spectrometry can differentiate between isomeric compounds unlike a popular collision-activated dissociation methodology for the identification of previously unknown mixtures. Selected neutral reagents, such as 2-methoxypropene (MOP) are introduced into an ion trap mass spectrometer and react with protonated analytes to produce product ions diagnostic of the functional groups present in the analyte. However, the interpretation and understanding of specific reactions are challenging and time-consuming for chemical characterization. Here, we introduce a first bootstrapped decision tree model trained on 36 known ion-molecule reactions with MOP using graph-based connectivity of analyte’s functional groups as input. A Cohen Kappa statistic of 0.72 was achieved, suggesting substantial inter-model reliability on limited training data. Prospective diagnostic product predictions were made and validated for 14 previously unpublished analytes . Chemical reactivity flowcharts were introduced to understand the decisions made by the machine learning method that will be useful for chemists.

The many-body expansion (MBE) and its extension to overlapping fragments, the generalized (G)MBE, constitute the theoretical basis for most fragment-based approaches for large-scale quantum chemistry. We reformulate the GMBE for use with embedding charges determined self-consistently from the fragment wave functions, in a manner that preserves the variational nature of the underlying self-consistent field method. As a result, the analytic gradient retains the simple "sum of fragment gradients" form that is often assumed in practice, sometimes incorrectly. This obviates (without approximation) the need to solve coupled-perturbed equations, and we demonstrate stable, fragment-based

Background: CDGSH iron sulfur domain-containing protein 1 (CISD-1) belongs to the CISD protein family that is evolutionary conserved across different species. In mammals, CISD-1 protein has been implicated in diseases such as cancers and diabetes. As a tractable model organism to study disease-associated proteins, we employed Caenorhabditis elegans in this study with an aim to establish a model for interrogating the functional relevance of CISD-1 in human metabolic conditions. Methods: We first bioinformatically identified the human Cisd-1 homologue in worms. We then employed N2 wild-type and cisd-1(tm4993) mutant to investigate the consequences of CISD-1 loss-of-function on: 1) the expression pattern of CISD-1, 2) mitochondrial morphology pattern, 3) mitochondrial function and bioenergetics, and 4) the effects of anti-diabetes drugs. Results: We first identified C. elegans W02B12.15 gene as the human Cisd-1 homologous gene, and pinpointed the localization of CISD-1 to the outer membrane of mitochondria. As compared with the N2 wild-type worm, cisd-1(tm4993) mutant exhibited a higher proportion of hyperfused form of mitochondria. This structural abnormality was associated with the generation of higher levels of ROS and mitochondrial superoxide but lower ATP. These physiological changes in mutants did not result in discernable effects on animal motility and lifespan. Moreover, the amount of glucose in N2 wild-type worms treated with troglitazone and pioglitazone, derivatives of TZD, was reduced to a comparable level as in the mutant animals. Conclusions: By focusing on the Cisd-1 gene, our study established a C. elegans genetic system suitable for modeling human diabetes-related diseases. Keywords: C. elegans, Diabetes, Glucose consumption, Lifespan, Iron-sulfur containing protein, ROS

When surrounded by a transparent emission region, black holes are expected to reveal a dark shadow caused by gravitational light bending and photon capture at the event horizon. To image and study this phenomenon, we have assembled the Event Horizon Telescope, a global very long baseline interferometry array observing at a wavelength of 1.3 mm. This allows us to reconstruct event-horizon-scale images of the supermassive black hole candidate in the center of the giant elliptical galaxy M87. We have resolved the central compact radio source as an asymmetric bright emission ring with a diameter of 42 ± 3 μas, which is circular and encompasses a central depression in brightness with a flux ratio 10:1. The emission ring is recovered using different calibration and imaging schemes, with its diameter and width remaining stable over four different observations carried out in different days. Overall, the observed image is consistent with expectations for the shadow of a Kerr black hole as predicted by general relativity. The asymmetry in brightness in the ring can be explained in terms of relativistic beaming of the emission from a plasma rotating close to the speed of light around a black hole. We compare our images to an extensive library of ray-traced general-relativistic magnetohydrodynamic simulations of black holes and derive a central mass of M = (6.5 ± 0.7) × 109 Me. Our radiowave observations thus provide powerful evidence for the presence of supermassive black holes in centers of galaxies and as the central engines of active galactic nuclei. They also present a new tool to explore gravity in its most extreme limit and on a mass scale that was so far not accessible.© 2019. The American Astronomical Society, The authors of this Letter thank the following organizations and programs: the Academy of Finland (projects 274477, 284495, 312496); the Advanced European Network of E-infrastructures for Astronomy with the SKA (AENEAS) project, supported by the European Commission Framework Programme Horizon 2020 Research and Innovation action under grant agreement 731016; the Alexander von Humboldt Stiftung; the Black Hole Initiative at Harvard University, through a grant (60477) from the John Templeton Foundation; the China Scholarship Council; Comisión Nacional de Investigación Científica y Tecnológica (CONICYT, Chile, via PIA ACT172033, Fondecyt 1171506, BASAL AFB170002, ALMA-conicyt 31140007); Consejo Nacional de Ciencia y Tecnología (CONACYT, Mexico, projects 104497, 275201, 279006, 281692); the Delaney Family via the Delaney Family John A. Wheeler Chair at Perimeter Institute; Dirección General de Asuntos del Personal Académico-Universidad Nacional 9 The Astrophysical Journal Letters, 875:L1 (17pp), 2019 April 10 The EHT Collaboration et al. Autónoma de México (DGAPA-UNAM, project IN112417); the European Research Council (ERC) Synergy Grant “BlackHoleCam: Imaging the Event Horizon of Black Holes” (grant 610058); the Generalitat Valenciana postdoctoral grant APOSTD/2018/177; the Gordon and Betty Moore Foundation (grants GBMF-3561, GBMF-5278); the Istituto Nazionale di Fisica Nucleare (INFN) sezione di Napoli, iniziative specifiche TEONGRAV; the International Max Planck Research School for Astronomy and Astrophysics at the Universities of Bonn and Cologne; the Jansky Fellowship program of the National Radio Astronomy Observatory (NRAO); the Japanese Government (Monbukagakusho: MEXT) Scholarship; the Japan Society for the Promotion of Science (JSPS) Grant-in-Aid for JSPS Research Fellowship (JP17J08829); JSPS Overseas Research Fellowships; the Key Research Program of Frontier Sciences, Chinese, Academy of Sciences (CAS, grants QYZDJ-SSW-SLH057, QYZDJ-SSW-SYS008); the Leverhulme Trust Early Career Research Fellowship; the Max-Planck-Gesellschaft (MPG); the Max Planck Partner Group of the MPG and the CAS; the MEXT/JSPS KAKENHI (grants 18KK0090, JP18K13594, JP18K03656, JP18H03721, 18K03709, 18H01245, 25120007); the MIT International Science and Technology Initiatives (MISTI) Funds; the Ministry of Science and Technology (MOST) of Taiwan (105-2112-M-001-025-MY3, 106-2112-M001-011, 106-2119-M-001-027, 107-2119-M-001-017, 107- 2119-M-001-020, and 107-2119-M-110-005); the National Aeronautics and Space Administration (NASA, Fermi Guest Investigator grant 80NSSC17K0649); the National Institute of Natural Sciences (NINS) of Japan; the National Key Research and Development Program of China (grant 2016YFA0400704, 2016YFA0400702); the National Science Foundation (NSF, grants AST-0096454, AST-0352953, AST-0521233, AST0705062, AST-0905844, AST-0922984, AST-1126433, AST1140030, DGE-1144085, AST-1207704, AST-1207730, AST1207752, MRI-1228509, OPP-1248097, AST-1310896, AST1312651, AST-1337663, AST-1440254, AST-1555365, AST1715061, AST-1615796, AST-1614868, AST-1716327, OISE1743747, AST-1816420); the Natural Science Foundation of China (grants 11573051, 11633006, 11650110427, 10625314, 11721303, 11725312, 11873028, 11873073, U1531245, 11473010); the Natural Sciences and Engineering Research Council of Canada (NSERC, including a Discovery Grant and the NSERC Alexander Graham Bell Canada Graduate Scholarships-Doctoral Program); the National Youth Thousand Talents Program of China; the National Research Foundation of Korea (grant 2015-R1D1A1A01056807, the Global PhD Fellowship Grant: NRF-2015H1A2A1033752, and the Korea Research Fellowship Program: NRF-2015H1D3A1066561); the Netherlands Organization for Scientific Research (NWO) VICI award (grant 639.043.513) and Spinoza Prize (SPI 78-409); the New Scientific Frontiers with Precision, Radio Interferometry Fellowship awarded by the South African Radio Astronomy Observatory (SARAO), which is a facility of the National Research Foundation (NRF), an agency of the Department of Science and Technology (DST) of South Africa; the Onsala Space Observatory (OSO) national infrastructure, for the provisioning of its facilities/observational support (OSO receives funding through the Swedish Research Council under grant 2017-00648); the Perimeter Institute for Theoretical Physics (research at Perimeter Institute is supported by the Government of Canada through the Department of Innovation, Science and Economic Development Canada and by the Province of Ontario through the Ministry of Economic Development, Job Creation and Trade); the Russian Science Foundation (grant 17-12-01029); the Spanish Ministerio de Economía y Competitividad (grants AYA2015-63939-C2-1-P, AYA2016-80889-P); the State Agency for Research of the Spanish MCIU through the “Center of Excellence Severo Ochoa” award for the Instituto de Astrofísica de Andalucía (SEV-2017-0709); the Toray Science Foundation; the US Department of Energy (USDOE) through the Los Alamos National Laboratory (operated by Triad National Security, LLC, for the National Nuclear Security Administration of the USDOE (Contract 89233218CNA000001)); the Italian Ministero dell’Istruzione Università e Ricerca through the grant Progetti Premiali 2012-iALMA (CUP C52I13000140001); the European Unionʼs Horizon 2020 research and innovation programme under grant agreement No 730562 RadioNet; ALMA North America Development Fund; Chandra TM6-17006X

In this study, alkaline-activated persulfate is used to treat groundwater that is contaminated with 1,2-dichloroethane (1,2-DCA)- and methyl tert-butyl ether (MTBE). The results show that alkaline-activated persulfate accelerates the degradation of 1,2-DCA. Vinyl chloride is produced because there is dehydrochlorination of 1,2-DCA at high pH. Although the rate of degradation of MTBE in alkaline-activated persulfate systems is decreased, there is a significant reduction in the accumulation of MTBE-degrading byproducts, tert-butyl alcohol and tert-butyl formate. Alkaline-activated persulfate degrades 1,2-DCA via the mechanisms of oxidation and dehydrochlorination, but oxidation alone contributes to the removal of MTBE. The use of low-cost basic oxygen furnace (BOF) slag increases the pH of the solution (>12) and allows the alkaline-activated persulfate reaction to proceed. No detectable heavy metals are released from the BOF slag in the persulfate system that is activated by BOF slag. The degradation of 1,2-DCA and MTBE follows the pseudo-first-order kinetics for all persulfate systems. Alkaline-activated persulfate causes a decrease in ORP because there is a high pH, which adversely affects the removal of contaminants if the contaminants do not undergo base-mediated degradation. Therefore, the performance in terms of contaminant removal must be evaluated before alkaline-activated persulfate is used for different compounds. This novel, slag-activated persulfate system is an environmentally friendly and cost-effective alternative to the remediation of groundwater.

The Greenland Telescope (GLT) project and the East Asian Observatory (EAO) successfully commissioned the first light GLT instrument at the James Clerk Maxwell Telescope (JCMT) in Hawaii, prior to transferring the instrument to Greenland. The GLT instrument which comprises of a cryostat with three cartridge-type receivers (at 86GHz, 230GHz and 345GHz) was installed into the receiver cabin of JCMT and operated in three modes: - (a) Regular JCMT observing with the GLT instrument, using ACSIS, (JCMT’s autocorrelation spectrometer) as the backend and JCMT software for telescope control, data reduction, pointing and antenna focus adjustment. (b) Single dish observations of astronomical spectral line sources, recording data onto mark 6 recorders for offline data reduction. (c) eSMA interferometer array observations at 230GHz in conjunction with the SMA. In this paper, we report on the installation and integration of the GLT instrument at JCMT, present results from commissioning and show how the success of the GLT instrument commissioning fits with our plans for future instrumentation at JCMT.

The Greenland Telescope completed its construction, so the commissioning phase has been started since December 2017. Single-dish commissioning has started from the optical pointing which produced the first pointing model, followed by the radio pointing and focusing using the Moon for both the 86 GHz and the 230 GHz receivers. After Venus started to rise from the horizon, the focus positions has been improved for both receivers. Once we started the line pointing using the SiO(2-1) maser line and the CO(2-1) line for the 86 GHz and the 230 GHz receivers, respectively, the pointing accuracy also improved, and the final pointing accuracy turned to be around 3" - 5" for both receivers. In parallel, VLBI commissioning has been performed, with checking the frequency accuracy and the phase stability for all the components that would be used for the VLBI observations. After all the checks, we successfully joined the dress rehearsals and actual observations of the 86 GHz and 230 GHz VLBI observations, The first dress rehearsal data between GLT and ALMA were correlated, and successfully detected the first fringe, which confirmed that the GLT commissioning was successfully performed.

The Greenland Telescope Project (GLT) has successfully commissioned its 12-m sub-millimeter. In January 2018, the fringes were detected between the GLT and the Atacama Large Millimeter Array (ALMA) during a very-long-baseline interferometry (VLBI) exercise. In April 2018, the telescope participated in global VLBI science observations at Thule Air Base (TAB). The telescope has been completely rebuilt, with many new components, from the ALMA NA (North America) Prototype antenna and equipped with a new set of sub-millimeter receivers operating at 86, 230, and 345 GHz, as well as a complete set of instruments and VLBI backends. This paper describes our progress and status of the project and its plan for the coming decade.

The Greenland Telescope project has recently participated in an experiment to image the supermassive black hole shadow at the center of M87 using Very Long Baseline Interferometry technique in April of 2018. The antenna consists of the 12-m ALMA North American prototype antenna that was modified to support two auxiliary side containers and to withstand an extremely cold environment. The telescope is currently at Thule Air Base in Greenland with the long-term goal to move the telescope over the Greenland ice sheet to Summit Station. The GLT currently has a single cryostat which houses three dual polarization receivers that cover 84-96 GHz, 213-243 GHz and 271-377 GHz bands. A hydrogen maser frequency source in conjunction with high frequency synthesizers are used to generate the local oscillator references for the receivers. The intermediate frequency outputs of each receiver cover 4-8 GHz and are heterodyned to baseband for digitization within a set of ROACH-2 units then formatted for recording onto Mark-6 data recorders. A separate set of ROACH-2 units operating in parallel provides the function of auto-correlation for real-time spectral analysis. Due to the stringent instrumental stability requirements for interferometry a diagnostic test system was incorporated into the design. Tying all of the above equipment together is the fiber optic system designed to operate in a low temperature environment and scalable to accommodate a larger distance between the control module and telescope for Summit Station. A report on the progress of the above electronics instrumentation system will be provided., Comment: 19 pages, 37 figures, oral presentation at the June 2018 SPIE conference: Astronomical Telescopes + Instrumentation, in the section on Millimeter, Submillimeter, and Far-Infrared Detectors and Instrumentation for Astronomy IX

Papers I and II in this series [R. M. Richard et al., J. Chem. Phys. 141, 014108 (2014); K. U. Lao et al., ibid. 144, 164105 (2016)] have attempted to shed light on precision and accuracy issues affecting the many-body expansion (MBE), which only manifest in larger systems and thus have received scant attention in the literature. Many-body counterpoise (CP) corrections are shown to accelerate convergence of the MBE, which otherwise suffers from a mismatch between how basis-set superposition error affects subsystem versus supersystem calculations. In water clusters ranging in size up to (H2O)37, four-body terms prove necessary to achieve accurate results for both total interaction energies and relative isomer energies, but the sheer number of tetramers makes the use of cutoff schemes essential. To predict relative energies of (H2O)20 isomers, two approximations based on a lower level of theory are introduced and an ONIOM-type procedure is found to be very well converged with respect to the appropriate MBE benchmark, namely, a CP-corrected supersystem calculation at the same level of theory. Results using an energy-based cutoff scheme suggest that if reasonable approximations to the subsystem energies are available (based on classical multipoles, say), then the number of requisite subsystem calculations can be reduced even more dramatically than when distance-based thresholds are employed. The end result is several accurate four-body methods that do not require charge embedding, and which are stable in large basis sets such as aug-cc-pVTZ that have sometimes proven problematic for fragment-based quantum chemistry methods. Even with aggressive thresholding, however, the four-body approach at the self-consistent field level still requires roughly ten times more processors to outmatch the performance of the corresponding supersystem calculation, in test cases involving 1500-1800 basis functions.

Extended symmetry-adapted perturbation theory (XSAPT) uses a self-consistent charge embedding to capture many-body polarization, in conjunction with a pairwise-additive SAPT calculation of intermolecular interaction energies. The original implementation of XSAPT is based on charges that are fit to reproduce molecular electrostatic potentials, but this becomes a computational bottleneck in large systems. Charge embedding based on modified Hirshfeld atomic charges is reported here, which dramatically reduces the computational cost without compromising accuracy. Exemplary calculations are presented for supramolecular complexes such as C60@C60H28, a DNA intercalation complex, and a 323-atom model of a drug molecule bound to an enzyme active site. The proposed charge embedding should be useful in other fragment-based quantum chemistry methods as well.