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1. Fast state detection in F1-ATPase rotation enhanced by theory of mixed states and external torque

Author

Luan Q Le and Sándor Volkán-Kacsó

Subjects
F-ATPase, chemical state mixing, single-molecule imaging, Langevin dynamics, torque, angular jumps, Science, Physics, QC1-999
Abstract

During brief 120° transitions between long catalytic dwells, single F _1 -ATPase molecules exhibit angular jumps that vary with rotation angles. Using the angular jump profile enables the detection of fast states in the mechano-chemical scheme of the enzyme, states that are difficult to capture from single-molecule trajectories due to the fluctuations of the imaging nanoprobe. In a previous work, a short-lived, three occupancy state was postulated from a multi-state, probabilistic theory to explain the mean angular jump profile. An assumption in the theory was that the ‘mixing’ of chemical states is negligible during jumps. In a mixing event, two subsequent angular positions recorded by the imaging apparatus belong to two different chemical states of the motor enzyme due to fast reactions within a recording frame. In this paper, we provide an enhanced method for the detection of fast states. On one hand, we show using Langevin simulations that state mixing leads to faster mean angular jump, shifting up the profile. Consequently, the improved method provides a correction to the angular position and lifetime of the postulated three-occupancy metastable state. On the other hand, we show that when F _1 -ATPase is subject to torques opposing rotation in hydrolysis direction, the torques shift down the dwell angles without affecting the angle-dependent reaction rates. The torques improve detection capability for the fast state by increasing dwell times which is made evident by the flattening of the mean angular jump profile within 40°–60° from the catalytic dwell. In the three-occupancy state release of ADP occurs in concert with the binding of ATP to a different site in the F _1 -ATPase. Similarly, in the full ATP synthase when torques are created by the proton gradient in the F _O region, the release of the product ATP is presumably accelerated by the binding of ADP to a different site in the F _1 domain.

Published
2021
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2. Method to extract multiple states in F 1 -ATPase rotation experiments from jump distributions

Author

Kaicheng Zhu, Sándor Volkán-Kacsó, Rudolph A. Marcus, Luan Q. Le, and Haibin Su

Subjects
Physics, Sequence, Multidisciplinary, Distribution (mathematics), Orders of magnitude (time), Jump, Transient (oscillation), State (functional analysis), Atomic physics, Rotation, Viscoelasticity
Abstract

Significance In single-molecule imaging of the F 1 - ATPase rotation by nanoprobes, there are jumps in the angular position. Their distribution is used in a method for detecting hidden states in the transitions during rotation steps. Complementing stalling experiments, this method reveals, now in free rotation without magnetic tweezers, that the motor can be in either of 2 states at a rotation angle. A comparison between the experimental trajectories and a multistate theory reveals that an 80° substep of the coupled ATP binding and ADP release involves an intermediate state reminiscent of a 3-occupancy structure. Its lifetime ( ∼ 10 μs) is comparable with the frame time of the imaging, so, by detecting this short-lived state, the method provides an increased effective time resolution.

Published
2019

3. Fast state detection in F1-ATPase rotation enhanced by theory of mixed states and external torque

Author

Sándor Volkán-Kacsó and Luan Q. Le

Subjects
Physics, biology, Mixed states, ATPase, biology.protein, General Physics and Astronomy, Torque, State (functional analysis), Atomic physics, Rotation
Abstract

During brief 120° transitions between long catalytic dwells, single F1-ATPase molecules exhibit angular jumps that vary with rotation angles. Using the angular jump profile enables the detection of fast states in the mechano-chemical scheme of the enzyme, states that are difficult to capture from single-molecule trajectories due to the fluctuations of the imaging nanoprobe. In a previous work, a short-lived, three occupancy state was postulated from a multi-state, probabilistic theory to explain the mean angular jump profile. An assumption in the theory was that the ‘mixing’ of chemical states is negligible during jumps. In a mixing event, two subsequent angular positions recorded by the imaging apparatus belong to two different chemical states of the motor enzyme due to fast reactions within a recording frame. In this paper, we provide an enhanced method for the detection of fast states. On one hand, we show using Langevin simulations that state mixing leads to faster mean angular jump, shifting up the profile. Consequently, the improved method provides a correction to the angular position and lifetime of the postulated three-occupancy metastable state. On the other hand, we show that when F1-ATPase is subject to torques opposing rotation in hydrolysis direction, the torques shift down the dwell angles without affecting the angle-dependent reaction rates. The torques improve detection capability for the fast state by increasing dwell times which is made evident by the flattening of the mean angular jump profile within 40°–60° from the catalytic dwell. In the three-occupancy state release of ADP occurs in concert with the binding of ATP to a different site in the F1-ATPase. Similarly, in the full ATP synthase when torques are created by the proton gradient in the FO region, the release of the product ATP is presumably accelerated by the binding of ADP to a different site in the F1 domain.

Published
2021

5. Fast States Revealed by Theory of Jumps in F1-ATPase Rotation Experiments

Author

Luan Q. Le, Haibin Su, Sándor Volkán-Kacsó, and Rudolph A. Marcus

Subjects
Quantitative Biology::Subcellular Processes, Physics, Quantitative Biology::Biomolecules, Microsecond, Distribution (mathematics), Dynamics (mechanics), Biophysics, Jump, Torque, Degree (angle), Transient (oscillation), Rotation, Molecular physics
Abstract

Single-molecule spectroscopies revealed the stepping rotation of an F1-ATPase enzyme in which a substep can have microsecond transition dynamics. Here we describe a method for analyzing fast single molecule rotation trajectories in F1-ATPase monitored by a 40 nanometer probe. This method focuses on the rotation jumps that occur in the transitions during the steps between dwells in single molecule trajectories. These jumps are related to the "instantaneous" rotation velocity and they exhibit a bimodal distribution at certain angles, indicating that the system produces both forward and a backward torques at the same angle, due to being in either of two states. Two states at the same angle is a key assumption used to extracts rate constants in stalling experiments, so by observing the bimodal distributions we provide support for this assumption. To calculate the distribution of jumps, we use a multi-state theory to describe the visco-elastic fluctuation of the imaging probe. The predicted jump distribution in the transitions yields a relaxation time which agrees with its value of 14 microseconds in the dwell fluctuations. Using a sequence of three states, the theoretical profile of angular jumps agrees with experiment for most of the angular range, but full agreement between theory and experiment is reached if a fourth, 10 microsecond lifetime state is assumed with an effective dwell half way through the 80 degree substep. It suggests that the ATP binding in one subunit and the ADP release from another subunit occurs via this transient. The ability to detect a state that is comparable or shorter than the instrumental relaxation time indicates that this jump distribution based method can be used to effectively increase the time resolution of the imaging apparatus.

Published
2020

6. Crystal structure and anti-inflammatory activity of (3E,5E)-3-(2-fluorobenzylidene)-1-((4-acetamidophenyl)sulfonyl)-5-(pyridin-3-ylmethylene)piperidin-4-one-methanol-hydrate (2/1/1), C53H50F2N6O10S2

Author

Wang An-Qi, Gao Ru-Ning, Luan Qing-Hao, Wang Ze-Ping, Li Xiao-Ming, and Hou Gui-Ge

Subjects
1868649, Physics, QC1-999, Crystallography, QD901-999
Abstract

C53H50F2N6O10S2, monoclinic, P21/n (no. 14), a = 15.088(5) Å, b = 23.560(9) Å, c = 15.401(6) Å, β = 112.254(5)°, V = 5067(3) Å3, Z = 4, Rgt(F) = 0.0509, wRref(F2) = 0.1336, T = 298(2) K.

Published
2020
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7. DIII-D research advancing the physics basis for optimizing the tokamak approach to fusion energy

Author

M. E. Fenstermacher, J. Abbate, S. Abe, T. Abrams, M. Adams, B. Adamson, N. Aiba, T. Akiyama, P. Aleynikov, E. Allen, S. Allen, H. Anand, J. Anderson, Y. Andrew, T. Andrews, D. Appelt, R. Arbon, N. Ashikawa, A. Ashourvan, M. Aslin, Y. Asnis, M. Austin, D. Ayala, J. Bak, I. Bandyopadhyay, S. Banerjee, K. Barada, L. Bardoczi, J. Barr, E. Bass, D. Battaglia, A. Battey, W. Baumgartner, L. Baylor, J. Beckers, M. Beidler, E. Belli, J. Berkery, T. Bernard, N. Bertelli, M. Beurskens, R. Bielajew, S. Bilgili, B. Biswas, S. Blondel, J. Boedo, I. Bogatu, R. Boivin, T. Bolzonella, M. Bongard, X. Bonnin, P. Bonoli, M. Bonotto, A. Bortolon, S. Bose, N. Bosviel, S. Bouwmans, M. Boyer, W. Boyes, L. Bradley, R. Brambila, D. Brennan, S. Bringuier, L. Brodsky, M. Brookman, J. Brooks, D. Brower, G. Brown, W. Brown, M. Burke, K. Burrell, K. Butler, R. Buttery, I. Bykov, P. Byrne, A. Cacheris, K. Callahan, J. Callen, G. Campbell, J. Candy, J. Canik, P. Cano-Megias, N. Cao, L. Carayannopoulos, T. Carlstrom, W. Carrig, T. Carter, W. Cary, L. Casali, M. Cengher, G. Cespedes Paz, R. Chaban, V. Chan, B. Chapman, I. Char, A. Chattopadhyay, R. Chen, J. Chen, X. Chen, M. Chen, Z. Chen, M. Choi, W. Choi, G. Choi, L. Chousal, C. Chrobak, C. Chrystal, Y. Chung, R. Churchill, M. Cianciosa, J. Clark, M. Clement, S. Coda, A. Cole, C. Collins, W. Conlin, A. Cooper, J. Cordell, B. Coriton, T. Cote, J. Cothran, A. Creely, N. Crocker, C. Crowe, B. Crowley, T. Crowley, D. Cruz-Zabala, D. Cummings, M. Curie, D. Curreli, A. Dal Molin, B. Dannels, A. Dautt-Silva, K. Davda, G. De Tommasi, P. De Vries, G. Degrandchamp, J. Degrassie, D. Demers, S. Denk, S. Depasquale, E. Deshazer, A. Diallo, S. Diem, A. Dimits, R. Ding, S. Ding, W. Ding, T. Do, J. Doane, G. Dong, D. Donovan, J. Drake, W. Drews, J. Drobny, X. Du, H. Du, V. Duarte, D. Dudt, C. Dunn, J. Duran, A. Dvorak, F. Effenberg, N. Eidietis, D. Elder, D. Eldon, R. Ellis, W. Elwasif, D. Ennis, K. Erickson, D. Ernst, M. Fasciana, D. Fedorov, E. Feibush, N. Ferraro, J. Ferreira, J. Ferron, P. Fimognari, D. Finkenthal, R. Fitzpatrick, P. Fox, W. Fox, L. Frassinetti, H. Frerichs, H. Frye, Y. Fu, K. Gage, J. Galdon Quiroga, A. Gallo, Q. Gao, A. Garcia, M. Garcia Munoz, D. Garnier, A. Garofalo, A. Gattuso, D. Geng, K. Gentle, D. Ghosh, L. Giacomelli, S. Gibson, E. Gilson, C. Giroud, F. Glass, A. Glasser, D. Glibert, P. Gohil, R. Gomez, S. Gomez, X. Gong, E. Gonzales, A. Goodman, Y. Gorelov, V. Graber, R. Granetz, T. Gray, D. Green, C. Greenfield, M. Greenwald, B. Grierson, R. Groebner, W. Grosnickle, M. Groth, H. Grunloh, S. Gu, W. Guo, H. Guo, P. Gupta, J. Guterl, W. Guttenfelder, T. Guzman, S. Haar, R. Hager, S. Hahn, M. Halfmoon, T. Hall, K. Hallatschek, F. Halpern, G. Hammett, H. Han, E. Hansen, C. Hansen, M. Hansink, J. Hanson, M. Hanson, G. Hao, A. Harris, R. Harvey, S. Haskey, E. Hassan, A. Hassanein, D. Hatch, R. Hawryluk, W. Hayashi, W. Heidbrink, J. Herfindal, J. Hicok, D. Hill, E. Hinson, C. Holcomb, L. Holland, C. Holland, E. Hollmann, J. Hollocombe, A. Holm, I. Holmes, K. Holtrop, M. Honda, R. Hong, R. Hood, A. Horton, L. Horvath, M. Hosokawa, S. Houshmandyar, N. Howard, E. Howell, D. Hoyt, W. Hu, Y. Hu, Q. Hu, J. Huang, Y. Huang, J. Hughes, T. Human, D. Humphreys, P. Huynh, A. Hyatt, C. Ibanez, L. Ibarra, R. Icasas, K. Ida, V. Igochine, Y. In, S. Inoue, A. Isayama, O. Izacard, V. Izzo, A. Jackson, G. Jacobsen, A. Jaervinen, A. Jalalvand, J. Janhunen, S. Jardin, H. Jarleblad, Y. Jeon, H. Ji, X. Jian, E. Joffrin, A. Johansen, C. Johnson, T. Johnson, C. Jones, I. Joseph, D. Jubas, B. Junge, W. Kalb, R. Kalling, C. Kamath, J. Kang, D. Kaplan, A. Kaptanoglu, S. Kasdorf, J. Kates-Harbeck, P. Kazantzidis, A. Kellman, D. Kellman, C. Kessel, K. Khumthong, E. Kim, H. Kim, J. Kim, S. Kim, K. Kim, C. Kim, W. Kimura, M. King, J. King, J. Kinsey, A. Kirk, B. Kiyan, A. Kleiner, V. Klevarova, R. Knapp, M. Knolker, W. Ko, T. Kobayashi, E. Koch, M. Kochan, B. Koel, M. Koepke, A. Kohn, R. Kolasinski, E. Kolemen, E. Kostadinova, M. Kostuk, G. Kramer, D. Kriete, L. Kripner, S. Kubota, J. Kulchar, K. Kwon, R. La Haye, F. Laggner, H. Lan, R. Lantsov, L. Lao, A. Lasa Esquisabel, C. Lasnier, C. Lau, B. Leard, J. Lee, R. Lee, M. Lee, Y. Lee, C. Lee, S. Lee, M. Lehnen, A. Leonard, E. Leppink, M. Lesher, J. Lestz, J. Leuer, N. Leuthold, X. Li, K. Li, E. Li, G. Li, L. Li, Z. Li, J. Li, Y. Li, Z. Lin, D. Lin, X. Liu, J. Liu, Y. Liu, T. Liu, C. Liu, Z. Liu, D. Liu, A. Liu, A. Loarte-Prieto, L. Lodestro, N. Logan, J. Lohr, B. Lombardo, J. Lore, Q. Luan, T. Luce, T. Luda Di Cortemiglia, N. Luhmann, R. Lunsford, Z. Luo, A. Lvovskiy, B. Lyons, X. Ma, M. Madruga, B. Madsen, C. Maggi, K. Maheshwari, A. Mail, J. Mailloux, R. Maingi, M. Major, M. Makowski, R. Manchanda, C. Marini, A. Marinoni, A. Maris, T. Markovic, L. Marrelli, E. Martin, J. Mateja, G. Matsunaga, R. Maurizio, P. Mauzey, D. Mauzey, G. Mcardle, J. Mcclenaghan, K. Mccollam, C. Mcdevitt, K. Mckay, G. Mckee, A. Mclean, V. Mehta, E. Meier, J. Menard, O. Meneghini, G. Merlo, S. Messer, W. Meyer, C. Michael, C. Michoski, P. Milne, G. Minet, A. Misleh, Y. Mitrishkin, C. Moeller, K. Montes, M. Morales, S. Mordijck, D. Moreau, S. Morosohk, P. Morris, L. Morton, A. Moser, R. Moyer, C. Moynihan, T. Mrazkova, D. Mueller, S. Munaretto, J. Munoz Burgos, C. Murphy, K. Murphy, C. Muscatello, C. Myers, A. Nagy, G. Nandipati, M. Navarro, F. Nave, G. Navratil, R. Nazikian, A. Neff, G. Neilson, T. Neiser, W. Neiswanger, D. Nelson, A. Nelson, F. Nespoli, R. Nguyen, L. Nguyen, X. Nguyen, J. Nichols, M. Nocente, S. Nogami, S. Noraky, N. Norausky, M. Nornberg, R. Nygren, T. Odstrcil, D. Ogas, T. Ogorman, S. Ohdachi, Y. Ohtani, M. Okabayashi, M. Okamoto, L. Olavson, E. Olofsson, M. Omullane, R. Oneill, D. Orlov, W. Orvis, T. Osborne, D. Pace, G. Paganini Canal, A. Pajares Martinez, L. Palacios, C. Pan, Q. Pan, R. Pandit, M. Pandya, A. Pankin, Y. Park, J. Park, S. Parker, P. Parks, M. Parsons, B. Patel, C. Pawley, C. Paz-Soldan, W. Peebles, S. Pelton, R. Perillo, C. Petty, Y. Peysson, D. Pierce, A. Pigarov, L. Pigatto, D. Piglowski, S. Pinches, R. Pinsker, P. Piovesan, N. Piper, A. Pironti, R. Pitts, J. Pizzo, U. Plank, M. Podesta, E. Poli, F. Poli, D. Ponce, Z. Popovic, M. Porkolab, G. Porter, C. Powers, S. Powers, R. Prater, Q. Pratt, I. Pusztai, J. Qian, X. Qin, O. Ra, T. Rafiq, T. Raines, R. Raman, J. Rauch, A. Raymond, C. Rea, M. Reich, A. Reiman, S. Reinhold, M. Reinke, R. Reksoatmodjo, Q. Ren, Y. Ren, J. Ren, M. Rensink, J. Renteria, T. Rhodes, J. Rice, R. Roberts, J. Robinson, P. Rodriguez Fernandez, T. Rognlien, A. Rosenthal, S. Rosiello, J. Rost, J. Roveto, W. Rowan, R. Rozenblat, J. Ruane, D. Rudakov, J. Ruiz Ruiz, R. Rupani, S. Saarelma, S. Sabbagh, J. Sachdev, J. Saenz, S. Saib, M. Salewski, A. Salmi, B. Sammuli, C. Samuell, A. Sandorfi, C. Sang, J. Sarff, O. Sauter, K. Schaubel, L. Schmitz, O. Schmitz, J. Schneider, P. Schroeder, K. Schultz, E. Schuster, J. Schwartz, F. Sciortino, F. Scotti, J. Scoville, A. Seltzman, S. Seol, I. Sfiligoi, M. Shafer, S. Sharapov, H. Shen, Z. Sheng, T. Shepard, S. Shi, Y. Shibata, G. Shin, D. Shiraki, R. Shousha, H. Si, P. Simmerling, G. Sinclair, J. Sinha, P. Sinha, G. Sips, T. Sizyuk, C. Skinner, A. Sladkomedova, T. Slendebroek, J. Slief, R. Smirnov, J. Smith, S. Smith, D. Smith, J. Snipes, G. Snoep, A. Snyder, P. Snyder, E. Solano, W. Solomon, J. Song, A. Sontag, V. Soukhanovskii, J. Spendlove, D. Spong, J. Squire, C. Srinivasan, W. Stacey, G. Staebler, L. Stagner, T. Stange, P. Stangeby, R. Stefan, R. Stemprok, D. Stephan, J. Stillerman, T. Stoltzfus-Dueck, W. Stonecipher, S. Storment, E. Strait, D. Su, L. Sugiyama, Y. Sun, P. Sun, Z. Sun, A. Sun, D. Sundstrom, C. Sung, J. Sungcoco, W. Suttrop, Y. Suzuki, T. Suzuki, A. Svyatkovskiy, C. Swee, R. Sweeney, C. Sweetnam, G. Szepesi, M. Takechi, T. Tala, K. Tanaka, X. Tang, S. Tang, Y. Tao, R. Tao, D. Taussig, T. Taylor, K. Teixeira, K. Teo, A. Theodorsen, D. Thomas, K. Thome, A. Thorman, A. Thornton, A. Ti, M. Tillack, N. Timchenko, R. Tinguely, R. Tompkins, J. Tooker, A. Torrezan De Sousa, G. Trevisan, S. Tripathi, A. Trujillo Ochoa, D. Truong, C. Tsui, F. Turco, A. Turnbull, M. Umansky, E. Unterberg, P. Vaezi, P. Vail, J. Valdez, W. Valkis, B. Van Compernolle, J. Van Galen, R. Van Kampen, M. Van Zeeland, G. Verdoolaege, N. Vianello, B. Victor, E. Viezzer, S. Vincena, M. Wade, F. Waelbroeck, J. Wai, T. Wakatsuki, M. Walker, G. Wallace, R. Waltz, W. Wampler, L. Wang, H. Wang, Y. Wang, Z. Wang, G. Wang, S. Ward, M. Watkins, J. Watkins, W. Wehner, Y. Wei, M. Weiland, D. Weisberg, A. Welander, A. White, R. White, S. Wiesen, R. Wilcox, T. Wilks, M. Willensdorfer, H. Wilson, A. Wingen, M. Wolde, M. Wolff, K. Woller, A. Wolz, H. Wong, S. Woodruff, M. Wu, Y. Wu, S. Wukitch, G. Wurden, W. Xiao, R. Xie, Z. Xing, X. Xu, C. Xu, G. Xu, Z. Yan, X. Yang, S. Yang, T. Yokoyama, R. Yoneda, M. Yoshida, K. You, T. Younkin, J. Yu, M. Yu, G. Yu, Q. Yuan, L. Zaidenberg, L. Zakharov, A. Zamengo, S. Zamperini, M. Zarnstorff, E. Zeger, K. Zeller, L. Zeng, M. Zerbini, L. Zhang, X. Zhang, R. Zhang, B. Zhang, J. Zhang, L. Zhao, B. Zhao, Y. Zheng, L. Zheng, B. Zhu, J. Zhu, Y. Zhu, M. Zsutty, M. Zuin, Fenstermacher, M. E., Abbate, J., Abe, S., Abrams, T., Adams, M., Adamson, B., Aiba, N., Akiyama, T., Aleynikov, P., Allen, E., Allen, S., Anand, H., Anderson, J., Andrew, Y., Andrews, T., Appelt, D., Arbon, R., Ashikawa, N., Ashourvan, A., Aslin, M., Asnis, Y., Austin, M., Ayala, D., Bak, J., Bandyopadhyay, I., Banerjee, S., Barada, K., Bardoczi, L., Barr, J., Bass, E., Battaglia, D., Battey, A., Baumgartner, W., Baylor, L., Beckers, J., Beidler, M., Belli, E., Berkery, J., Bernard, T., Bertelli, N., Beurskens, M., Bielajew, R., Bilgili, S., Biswas, B., Blondel, S., Boedo, J., Bogatu, I., Boivin, R., Bolzonella, T., Bongard, M., Bonnin, X., Bonoli, P., Bonotto, M., Bortolon, A., Bose, S., Bosviel, N., Bouwmans, S., Boyer, M., Boyes, W., Bradley, L., Brambila, R., Brennan, D., Bringuier, S., Brodsky, L., Brookman, M., Brooks, J., Brower, D., Brown, G., Brown, W., Burke, M., Burrell, K., Butler, K., Buttery, R., Bykov, I., Byrne, P., Cacheris, A., Callahan, K., Callen, J., Campbell, G., Candy, J., Canik, J., Cano-Megias, P., Cao, N., Carayannopoulos, L., Carlstrom, T., Carrig, W., Carter, T., Cary, W., Casali, L., Cengher, M., Cespedes Paz, G., Chaban, R., Chan, V., Chapman, B., Char, I., Chattopadhyay, A., Chen, R., Chen, J., Chen, X., Chen, M., Chen, Z., Choi, M., Choi, W., Choi, G., Chousal, L., Chrobak, C., Chrystal, C., Chung, Y., Churchill, R., Cianciosa, M., Clark, J., Clement, M., Coda, S., Cole, A., Collins, C., Conlin, W., Cooper, A., Cordell, J., Coriton, B., Cote, T., Cothran, J., Creely, A., Crocker, N., Crowe, C., Crowley, B., Crowley, T., Cruz-Zabala, D., Cummings, D., Curie, M., Curreli, D., Dal Molin, A., Dannels, B., Dautt-Silva, A., Davda, K., De Tommasi, G., De Vries, P., Degrandchamp, G., Degrassie, J., Demers, D., Denk, S., Depasquale, S., Deshazer, E., Diallo, A., Diem, S., Dimits, A., Ding, R., Ding, S., Ding, W., Do, T., Doane, J., Dong, G., Donovan, D., Drake, J., Drews, W., Drobny, J., Du, X., Du, H., Duarte, V., Dudt, D., Dunn, C., Duran, J., Dvorak, A., Effenberg, F., Eidietis, N., Elder, D., Eldon, D., Ellis, R., Elwasif, W., Ennis, D., Erickson, K., Ernst, D., Fasciana, M., Fedorov, D., Feibush, E., Ferraro, N., Ferreira, J., Ferron, J., Fimognari, P., Finkenthal, D., Fitzpatrick, R., Fox, P., Fox, W., Frassinetti, L., Frerichs, H., Frye, H., Fu, Y., Gage, K., Galdon Quiroga, J., Gallo, A., Gao, Q., Garcia, A., Garcia Munoz, M., Garnier, D., Garofalo, A., Gattuso, A., Geng, D., Gentle, K., Ghosh, D., Giacomelli, L., Gibson, S., Gilson, E., Giroud, C., Glass, F., Glasser, A., Glibert, D., Gohil, P., Gomez, R., Gomez, S., Gong, X., Gonzales, E., Goodman, A., Gorelov, Y., Graber, V., Granetz, R., Gray, T., Green, D., Greenfield, C., Greenwald, M., Grierson, B., Groebner, R., Grosnickle, W., Groth, M., Grunloh, H., Gu, S., Guo, W., Guo, H., Gupta, P., Guterl, J., Guttenfelder, W., Guzman, T., Haar, S., Hager, R., Hahn, S., Halfmoon, M., Hall, T., Hallatschek, K., Halpern, F., Hammett, G., Han, H., Hansen, E., Hansen, C., Hansink, M., Hanson, J., Hanson, M., Hao, G., Harris, A., Harvey, R., Haskey, S., Hassan, E., Hassanein, A., Hatch, D., Hawryluk, R., Hayashi, W., Heidbrink, W., Herfindal, J., Hicok, J., Hill, D., Hinson, E., Holcomb, C., Holland, L., Holland, C., Hollmann, E., Hollocombe, J., Holm, A., Holmes, I., Holtrop, K., Honda, M., Hong, R., Hood, R., Horton, A., Horvath, L., Hosokawa, M., Houshmandyar, S., Howard, N., Howell, E., Hoyt, D., Hu, W., Hu, Y., Hu, Q., Huang, J., Huang, Y., Hughes, J., Human, T., Humphreys, D., Huynh, P., Hyatt, A., Ibanez, C., Ibarra, L., Icasas, R., Ida, K., Igochine, V., In, Y., Inoue, S., Isayama, A., Izacard, O., Izzo, V., Jackson, A., Jacobsen, G., Jaervinen, A., Jalalvand, A., Janhunen, J., Jardin, S., Jarleblad, H., Jeon, Y., Ji, H., Jian, X., Joffrin, E., Johansen, A., Johnson, C., Johnson, T., Jones, C., Joseph, I., Jubas, D., Junge, B., Kalb, W., Kalling, R., Kamath, C., Kang, J., Kaplan, D., Kaptanoglu, A., Kasdorf, S., Kates-Harbeck, J., Kazantzidis, P., Kellman, A., Kellman, D., Kessel, C., Khumthong, K., Kim, E., Kim, H., Kim, J., Kim, S., Kim, K., Kim, C., Kimura, W., King, M., King, J., Kinsey, J., Kirk, A., Kiyan, B., Kleiner, A., Klevarova, V., Knapp, R., Knolker, M., Ko, W., Kobayashi, T., Koch, E., Kochan, M., Koel, B., Koepke, M., Kohn, A., Kolasinski, R., Kolemen, E., Kostadinova, E., Kostuk, M., Kramer, G., Kriete, D., Kripner, L., Kubota, S., Kulchar, J., Kwon, K., La Haye, R., Laggner, F., Lan, H., Lantsov, R., Lao, L., Lasa Esquisabel, A., Lasnier, C., Lau, C., Leard, B., Lee, J., Lee, R., Lee, M., Lee, Y., Lee, C., Lee, S., Lehnen, M., Leonard, A., Leppink, E., Lesher, M., Lestz, J., Leuer, J., Leuthold, N., Li, X., Li, K., Li, E., Li, G., Li, L., Li, Z., Li, J., Li, Y., Lin, Z., Lin, D., Liu, X., Liu, J., Liu, Y., Liu, T., Liu, C., Liu, Z., Liu, D., Liu, A., Loarte-Prieto, A., Lodestro, L., Logan, N., Lohr, J., Lombardo, B., Lore, J., Luan, Q., Luce, T., Luda Di Cortemiglia, T., Luhmann, N., Lunsford, R., Luo, Z., Lvovskiy, A., Lyons, B., Ma, X., Madruga, M., Madsen, B., Maggi, C., Maheshwari, K., Mail, A., Mailloux, J., Maingi, R., Major, M., Makowski, M., Manchanda, R., Marini, C., Marinoni, A., Maris, A., Markovic, T., Marrelli, L., Martin, E., Mateja, J., Matsunaga, G., Maurizio, R., Mauzey, P., Mauzey, D., Mcardle, G., Mcclenaghan, J., Mccollam, K., Mcdevitt, C., Mckay, K., Mckee, G., Mclean, A., Mehta, V., Meier, E., Menard, J., Meneghini, O., Merlo, G., Messer, S., Meyer, W., Michael, C., Michoski, C., Milne, P., Minet, G., Misleh, A., Mitrishkin, Y., Moeller, C., Montes, K., Morales, M., Mordijck, S., Moreau, D., Morosohk, S., Morris, P., Morton, L., Moser, A., Moyer, R., Moynihan, C., Mrazkova, T., Mueller, D., Munaretto, S., Munoz Burgos, J., Murphy, C., Murphy, K., Muscatello, C., Myers, C., Nagy, A., Nandipati, G., Navarro, M., Nave, F., Navratil, G., Nazikian, R., Neff, A., Neilson, G., Neiser, T., Neiswanger, W., Nelson, D., Nelson, A., Nespoli, F., Nguyen, R., Nguyen, L., Nguyen, X., Nichols, J., Nocente, M., Nogami, S., Noraky, S., Norausky, N., Nornberg, M., Nygren, R., Odstrcil, T., Ogas, D., Ogorman, T., Ohdachi, S., Ohtani, Y., Okabayashi, M., Okamoto, M., Olavson, L., Olofsson, E., Omullane, M., Oneill, R., Orlov, D., Orvis, W., Osborne, T., Pace, D., Paganini Canal, G., Pajares Martinez, A., Palacios, L., Pan, C., Pan, Q., Pandit, R., Pandya, M., Pankin, A., Park, Y., Park, J., Parker, S., Parks, P., Parsons, M., Patel, B., Pawley, C., Paz-Soldan, C., Peebles, W., Pelton, S., Perillo, R., Petty, C., Peysson, Y., Pierce, D., Pigarov, A., Pigatto, L., Piglowski, D., Pinches, S., Pinsker, R., Piovesan, P., Piper, N., Pironti, A., Pitts, R., Pizzo, J., Plank, U., Podesta, M., Poli, E., Poli, F., Ponce, D., Popovic, Z., Porkolab, M., Porter, G., Powers, C., Powers, S., Prater, R., Pratt, Q., Pusztai, I., Qian, J., Qin, X., Ra, O., Rafiq, T., Raines, T., Raman, R., Rauch, J., Raymond, A., Rea, C., Reich, M., Reiman, A., Reinhold, S., Reinke, M., Reksoatmodjo, R., Ren, Q., Ren, Y., Ren, J., Rensink, M., Renteria, J., Rhodes, T., Rice, J., Roberts, R., Robinson, J., Rodriguez Fernandez, P., Rognlien, T., Rosenthal, A., Rosiello, S., Rost, J., Roveto, J., Rowan, W., Rozenblat, R., Ruane, J., Rudakov, D., Ruiz Ruiz, J., Rupani, R., Saarelma, S., Sabbagh, S., Sachdev, J., Saenz, J., Saib, S., Salewski, M., Salmi, A., Sammuli, B., Samuell, C., Sandorfi, A., Sang, C., Sarff, J., Sauter, O., Schaubel, K., Schmitz, L., Schmitz, O., Schneider, J., Schroeder, P., Schultz, K., Schuster, E., Schwartz, J., Sciortino, F., Scotti, F., Scoville, J., Seltzman, A., Seol, S., Sfiligoi, I., Shafer, M., Sharapov, S., Shen, H., Sheng, Z., Shepard, T., Shi, S., Shibata, Y., Shin, G., Shiraki, D., Shousha, R., Si, H., Simmerling, P., Sinclair, G., Sinha, J., Sinha, P., Sips, G., Sizyuk, T., Skinner, C., Sladkomedova, A., Slendebroek, T., Slief, J., Smirnov, R., Smith, J., Smith, S., Smith, D., Snipes, J., Snoep, G., Snyder, A., Snyder, P., Solano, E., Solomon, W., Song, J., Sontag, A., Soukhanovskii, V., Spendlove, J., Spong, D., Squire, J., Srinivasan, C., Stacey, W., Staebler, G., Stagner, L., Stange, T., Stangeby, P., Stefan, R., Stemprok, R., Stephan, D., Stillerman, J., Stoltzfus-Dueck, T., Stonecipher, W., Storment, S., Strait, E., Su, D., Sugiyama, L., Sun, Y., Sun, P., Sun, Z., Sun, A., Sundstrom, D., Sung, C., Sungcoco, J., Suttrop, W., Suzuki, Y., Suzuki, T., Svyatkovskiy, A., Swee, C., Sweeney, R., Sweetnam, C., Szepesi, G., Takechi, M., Tala, T., Tanaka, K., Tang, X., Tang, S., Tao, Y., Tao, R., Taussig, D., Taylor, T., Teixeira, K., Teo, K., Theodorsen, A., Thomas, D., Thome, K., Thorman, A., Thornton, A., Ti, A., Tillack, M., Timchenko, N., Tinguely, R., Tompkins, R., Tooker, J., Torrezan De Sousa, A., Trevisan, G., Tripathi, S., Trujillo Ochoa, A., Truong, D., Tsui, C., Turco, F., Turnbull, A., Umansky, M., Unterberg, E., Vaezi, P., Vail, P., Valdez, J., Valkis, W., Van Compernolle, B., Van Galen, J., Van Kampen, R., Van Zeeland, M., 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Zhu, B, Zhu, J, Zhu, Y, Zsutty, M, Zuin, M, Lawrence Livermore National Laboratory, Princeton Plasma Physics Laboratory, Princeton University, General Atomics, Max-Planck-Institut für Plasmaphysik, Imperial College London, National Institute for Fusion Science, Universidade de São Paulo, University of Texas at Austin, ITER, College of William and Mary, University of California Los Angeles, University of California San Diego, Columbia University, Massachusetts Institute of Technology, Oak Ridge National Laboratory, Eindhoven University of Technology, Oak Ridge Associated Universities, West Virginia University, University of Tennessee, Knoxville, National Research Council of Italy, Stony Brook University, Purdue University, University of Seville, University of Science and Technology of China, Carnegie Mellon University, Institute for Plasma Research, Peking University, University of California Davis, University of California Irvine, Commonwealth Fusion Systems, University of Liverpool, University of Illinois at Urbana-Champaign, University of Milan - Bicocca, Georgia Institute of Technology, Southwestern Institute of Physics, University of Toronto, Auburn University, Polytechnic University of Turin, Universidade Lisboa, Association CCFE, KTH Royal Institute of Technology, San Diego State University, Durham University, Lehigh University, Fusion and Plasma Physics, University of Washington, Department of Applied Physics, Sandia National Laboratories, Ghent University, Technical University of Denmark, CEA, University of Colorado Boulder, Harvard University, National Technical University of Athens, Coventry University, University of Stuttgart, Czech Academy of Sciences, Harvey Mudd College, Seoul National University, Donghua University, University of York, Dalian University of Technology, University of California Berkeley, Los Alamos National Laboratory, United States Department of Energy, University of British Columbia, Pacific Northwest National Laboratory, University of Wisconsin, Michigan State University, University of Strathclyde, Pennsylvania State University, Rensselaer Polytechnic Institute, University of Southern California, Chalmers University of Technology, University of Virginia, University of Naples Federico II, University of Oxford, VTT Technical Research Centre of Finland, National Institute of Technology, University of Connecticut, DIFFER, CIEMAT, Hanyang University, Brigham Young University, UiT The Arctic University of Norway, Australian National University, Russian Research Centre Kurchatov Institute, Forschungszentrum Jülich, Zhejiang University, The University of Tokyo, University of Michigan, Agenzia nazionale per le nuove tecnologie, l'energia e lo sviluppo economico sostenibile, Aalto-yliopisto, Aalto University, DIII-D Team, Complex Ionized Media, Elementary Processes in Gas Discharges, Applied Physics and Science Education, Science and Technology of Nuclear Fusion, and Control Systems Technology

Subjects
Nuclear and High Energy Physics, Tokamak, Technology and Engineering, DIII-D, Nuclear engineering, TOKAMAKS, MITIGATION, law.invention, Plasma physics, mitigation, law, plasma physic, tokamak, Physics, Core-edge integration, Basis (linear algebra), plasma physics, core-edge integration, scenarios, Fusion power, Condensed Matter Physics, SCENARIOS, fusion energy, Fusion energy
Abstract

Funding Information: This material is based upon work supported by the US Department of Energy, Office of Science, Office of Fusion Energy Sciences, using the DIII-D National Fusion Facility, a DOE Office of Science user facility, under Awards DE-FC02-04ER54698 and DE-AC52-07NA27344. Publisher Copyright: © 2022 IAEA, Vienna. DIII-D physics research addresses critical challenges for the operation of ITER and the next generation of fusion energy devices. This is done through a focus on innovations to provide solutions for high performance long pulse operation, coupled with fundamental plasma physics understanding and model validation, to drive scenario development by integrating high performance core and boundary plasmas. Substantial increases in off-axis current drive efficiency from an innovative top launch system for EC power, and in pressure broadening for Alfven eigenmode control from a co-/counter-I p steerable off-axis neutral beam, all improve the prospects for optimization of future long pulse/steady state high performance tokamak operation. Fundamental studies into the modes that drive the evolution of the pedestal pressure profile and electron vs ion heat flux validate predictive models of pedestal recovery after ELMs. Understanding the physics mechanisms of ELM control and density pumpout by 3D magnetic perturbation fields leads to confident predictions for ITER and future devices. Validated modeling of high-Z shattered pellet injection for disruption mitigation, runaway electron dissipation, and techniques for disruption prediction and avoidance including machine learning, give confidence in handling disruptivity for future devices. For the non-nuclear phase of ITER, two actuators are identified to lower the L-H threshold power in hydrogen plasmas. With this physics understanding and suite of capabilities, a high poloidal beta optimized-core scenario with an internal transport barrier that projects nearly to Q = 10 in ITER at ∼8 MA was coupled to a detached divertor, and a near super H-mode optimized-pedestal scenario with co-I p beam injection was coupled to a radiative divertor. The hybrid core scenario was achieved directly, without the need for anomalous current diffusion, using off-axis current drive actuators. Also, a controller to assess proximity to stability limits and regulate β N in the ITER baseline scenario, based on plasma response to probing 3D fields, was demonstrated. Finally, innovative tokamak operation using a negative triangularity shape showed many attractive features for future pilot plant operation.

Published
2022

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