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1. Optically accessible long-lived electronic biexcitons at room temperature in strongly coupled H- aggregates

Author

Siddhartha Sohoni, Indranil Ghosh, Geoffrey T. Nash, Claire A. Jones, Lawson T. Lloyd, Beiye C. Li, Karen L. Ji, Zitong Wang, Wenbin Lin, and Gregory S. Engel

Subjects
Science
Abstract

Abstract Photon absorption is the first process in light harvesting. Upon absorption, the photon redistributes electrons in the materials to create a Coulombically bound electron-hole pair called an exciton. The exciton subsequently separates into free charges to conclude light harvesting. When two excitons are in each other’s proximity, they can interact and undergo a two-particle process called exciton-exciton annihilation. In this process, one electron-hole pair spontaneously recombines: its energy is lost and cannot be harnessed for applications. In this work, we demonstrate the creation of two long-lived excitons on the same chromophore site (biexcitons) at room temperature in a strongly coupled H-aggregated zinc phthalocyanine material. We show that exciton-exciton annihilation is suppressed in these H- aggregated chromophores at fluences many orders of magnitudes higher than solar light. When we chemically connect the same aggregated chromophores to allow exciton diffusion, we observe that exciton-exciton annihilation is switched on. Our findings demonstrate a chemical strategy, to toggle on and off the exciton-exciton annihilation process that limits the dynamic range of photovoltaic devices.

Published
2024
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2. Gas adsorption and framework flexibility of CALF-20 explored via experiments and simulations

Author

Rama Oktavian, Ruben Goeminne, Lawson T. Glasby, Ping Song, Racheal Huynh, Omid Taheri Qazvini, Omid Ghaffari-Nik, Nima Masoumifard, Joan L. Cordiner, Pierre Hovington, Veronique Van Speybroeck, and Peyman Z. Moghadam

Subjects
Science
Abstract

Abstract In 2021, Svante, in collaboration with BASF, reported successful scale up of CALF-20 production, a stable MOF with high capacity for post-combustion CO2 capture which exhibits remarkable stability towards water. CALF-20’s success story in the MOF commercialisation space provides new thinking about appropriate structural and adsorptive metrics important for CO2 capture. Here, we combine atomistic-level simulations with experiments to study adsorptive properties of CALF-20 and shed light on its flexible crystal structure. We compare measured and predicted CO2 and water adsorption isotherms and explain the role of water-framework interactions and hydrogen bonding networks in CALF-20’s hydrophobic behaviour. Furthermore, regular and enhanced sampling molecular dynamics simulations are performed with both density-functional theory (DFT) and machine learning potentials (MLPs) trained to DFT energies and forces. From these simulations, the effects of adsorption-induced flexibility in CALF-20 are uncovered. We envisage this work would encourage development of other MOF materials useful for CO2 capture applications in humid conditions.

Published
2024
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8. Gas adsorption and framework flexibility of CALF-20 explored via experiments and simulations

Author

Oktavian, Rama, primary, Goeminne, Ruben, additional, Glasby, Lawson T., additional, Song, Ping, additional, Huynh, Racheal, additional, Qazvini, Omid Taheri, additional, Ghaffari-Nik, Omid, additional, Masoumifard, Nima, additional, Cordiner, Joan L., additional, Hovington, Pierre, additional, Van Speybroeck, Veronique, additional, and Moghadam, Peyman Z., additional

Published
2024
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9. Research considerations for prospective studies of patients with coma and disorders of consciousness

Author

Tinti, L, Lawson, T, Molteni, E, Kondziella, D, Rass, V, Sharshar, T, Bodien, Y, Giacino, J, Mayer, S, Amiri, M, Muehlschlegel, S, Venkatasubba Rao, C, Vespa, P, Menon, D, Citerio, G, Helbok, R, Mcnett, M, Agarwal, S, Aiyagari, V, Akbari, Y, Albertson, A, Alexander, S, Alexandrov, A, Alkhachroum, A, Al-Mufti, F, Appavu, B, Gebrewold, M, Ayounb, M, Badenes, R, Bader, M, Badjiata, N, Balu, R, Barlow, B, Barra, M, Beekman, R, Beghi, E, Beqiri, E, Berlin, T, Bilotta, F, Bleck, T, Boerwinkle, V, Boly, M, Bonnel, A, Brazzi, L, Brown, E, Bulic, S, Caceres, E, Caceres, A, Cafiero, T, Carroll, E, Cediel, E, Chou, S, Claassen, J, Condie, C, Conti, A, Cosmas, K, Costa, P, Creutzfeldt, C, Dangayach, N, Dauri, M, Debicki, D, Degeorgia, M, Der-Nigoghossian, C, Desai, M, Dhar, R, Diringer, M, Durr, E, Edlow, B, Ercole, A, Estraneo, A, Falcone, G, Farrokh, S, Ferguson, A, Fernandez-Espejo, D, Fink, E, Fins, J, Foreman, B, Franchi, F, Frontera, J, Ganesan, R, Gaspard, N, Ghavam, A, Gibbons, C, Gilmore, E, Glustein, C, Gosseries, O, Green, T, Greer, D, Guanci, M, Gupta, D, Hahn, C, Hakimi, R, Hammond, F, Hanley, D, Hartings, J, Hassan, A, Hemphill, C, Da Cunha, A, Hinson, H, Hirsch, K, Hocker, S, Hu, P, Hu, X, Human, T, Hwang, D, Illes, J, Jaffa, M, James, M, Janas, A, Johnson, S, Jones, M, Jox, R, Kalanuria, A, Keller, E, Kennedy, L, Kennelly, M, Keogh, M, Kim, J, Kim, K, Kirsch, H, Kirschen, M, Ko, N, Kreitzer, N, Kromm, J, Kumar, A, Kurtz, P, Laureys, S, Lejeune, N, Lewis, A, Liang, J, Ling, G, Livesay, S, Luppi, A, Macdonald, J, Maddux, C, Mahanes, D, Mainali, S, Maldonado, N, Ribeiro, R, Mascia, L, Massimini, M, Mathur, R, Mccredie, V, Mejia-Mantilla, J, Mendoza, M, Meyfroidt, G, Mijangos, J, Moberg, D, Moheet, A, Montalenti, E, Monti, M, Morrison, C, Munar, M, Murtaugh, B, Naccache, L, Nagayama, M, Nairon, E, Nakagawa, T, Naldi, A, Narenthiran, G, Natarajan, G, Nemetsky, E, Newcombe, V, Nielsen, N, Niznick, N, Noronha-Falcão, F, Nyquist, P, Olson, D, Othman, M, Owen, A, Padayachy, L, Pajoumand, M, Park, S, Pergakis, M, Perry, H, Polizzotto, L, Pouratian, N, Spivack, M, Prisco, L, Provencio, J, Puglises, F, Puybasset, L, Rao, C, Rasmussen, L, Rasulo, F, Ray, B, Ricci, Z, Richardson, R, Shinotsuka, C, Robba, C, Robertson, C, Rohaut, B, Rolston, J, Romagnoli, S, Rosanova, M, Rosenthal, E, Rowe, S, Rubin, M, Russell, M, Silva, G, Sanz, L, Sarasso, S, Sarwal, A, Schiff, N, Schnakers, C, Seder, D, Shah, V, Shapiro-Rosenbaubm, A, Shapshak, A, Sharma, K, Shutter, L, Sitt, J, Slomine, B, Smetana, K, Smielewski, P, Smith, W, Stamatakis, E, Steinberg, A, Stevens, R, Suarez, J, Sung, G, Sussman, B, Taran, S, Mazzeo, A, Thibaut, A, Thompson, D, Threlkeld, Z, Toker, D, Torbey, M, Tosto, J, Trevick, S, Tsaousi, G, Turgeon, A, Udy, A, Varelas, P, Videtta, W, Voss, H, Vox, F, Wagner, A, Wahlster, S, Wainwright, M, Whyte, J, Witherspoon, B, Yakhkind, A, Yeager, S, Young, M, Zafar, S, Zafonte, R, Zahuranec, D, Zammit, C, Zhang, B, Ziai, W, Zimmerman, L, Zink, E, Tinti, Lorenzo, Lawson, Thomas, Molteni, Erika, Kondziella, Daniel, Rass, Verena, Sharshar, Tarek, Bodien, Yelena G, Giacino, Joseph T, Mayer, Stephan A, Amiri, Moshgan, Muehlschlegel, Susanne, Venkatasubba Rao, Chethan P, Vespa, Paul M, Menon, David K, Citerio, Giuseppe, Helbok, Raimund, McNett, Molly, Agarwal, Sachin, Aiyagari, Venkatesh, Akbari, Yama, Albertson, Asher, Alexander, Sheila, Alexandrov, Anne, Alkhachroum, Ayham, Al-Mufti, Fawaz, Amiri, Moshagan, Appavu, Brian, Gebrewold, Meron Awraris, Ayounb, Marc, Badenes, Rafael, Bader, Mary Kay, Badjiata, Neeraj, Balu, Ram, Barlow, Brooke, Barra, Megan, Beekman, Rachel, Beghi, Ettore, Beqiri, Erta, Berlin, Tracey, Bilotta, Federico, Bleck, Thomas, Bodien, Yelena, Boerwinkle, Varina, Boly, Melanie, Bonnel, Alexandra, Brazzi, Luca, Brown, Emery, Bulic, Sebina, Caceres, Eder, Caceres, Adrian, Cafiero, Tullio, Carroll, Elizabeth, Cediel, Emilio G, Chou, Sherry, Claassen, Jan, Condie, Chad, Conti, Alfredo, Cosmas, Katie, Costa, Paolo, Creutzfeldt, Claire, Dangayach, Neha, Dauri, Mario, Debicki, Derek, DeGeorgia, Michael, Der-Nigoghossian, Caroline, Desai, Masoom, Dhar, Rajat, Diringer, Michael, Durr, Emily, Edlow, Brian, Ercole, Ari, Estraneo, Anna, Falcone, Guido, Farrokh, Salia, Ferguson, Adam, Fernandez-Espejo, Davinia, Fink, Ericka, Fins, Joseph, Foreman, Brandon, Franchi, Federico, Frontera, Jennifer, Ganesan, Rishi, Gaspard, Nicolas, Ghavam, Ahmeneh, Giacino, Joseph, Gibbons, Christie, Gilmore, Emily, Glustein, Chavie, Gosseries, Olivia, Green, Theresa, Greer, David, Guanci, Mary, Gupta, Deepak, Hahn, Cecil, Hakimi, Ryan, Hammond, Flora, Hanley, Daniel F, Hartings, Jed, Hassan, Ahmed, Hemphill, Claude, Da Cunha, Arthur Henrique Galvão Bruno, Hinson, Holly, Hirsch, Karen, Hocker, Sarah, Hu, Peter, Hu, Xiao, Human, Theresa, Hwang, David, Illes, Judy, Jaffa, Matthew, James, Michael L, Janas, Anna, Johnson, Susan, Jones, Morgan, Jox, Ralf J, Kalanuria, Atul, Keller, Emanuela, Kennedy, Lori, Kennelly, Megan, Keogh, Maggie, Kim, Jenn, Kim, Keri, Kirsch, Hannah, Kirschen, Matthew, Ko, Nerissa, Kreitzer, Natalie, Kromm, Julie, Kumar, Abhay, Kurtz, Pedro, Laureys, Steven, Lejeune, Nicolas, Lewis, Ariane, Liang, John, Ling, Geoffrey, Livesay, Sarah, Luppi, Andrea, MacDonald, Jennifer, Maddux, Craig, Mahanes, Dea, Mainali, Shraddha, Maldonado, Nelson, Ribeiro, Rennan Martins, Mascia, Luciana, Massimini, Marcello, Mathur, Rohan, Mayer, Stephan, McCredie, Victoria, Mejia-Mantilla, Jorge, Mendoza, Michael, Menon, David, Meyfroidt, Geert, Mijangos, Julio, Moberg, Dick, Moheet, Asma, Montalenti, Elisa, Monti, Martin, Morrison, Chris, Munar, Marina, Murtaugh, Brooke, Naccache, Lionel, Nagayama, Masao, Nairon, Emerson, Nakagawa, Thomas, Naldi, Andrea, Narenthiran, Ganesalingam, Natarajan, Girija, Nemetsky, Esther, Newcombe, Virginia, Nielsen, Niklas, Niznick, Naomi, Noronha-Falcão, Filipa, Nyquist, Paul, Olson, DaiWai, Othman, Marwan, Owen, Adrian, Padayachy, Llewellyn, Pajoumand, Mehrnaz, Park, Soojin, Pergakis, Melissa, Perry, Heidi, Polizzotto, Len, Pouratian, Nader, Spivack, Marilyn Price, Prisco, Lara, Provencio, Javier, Puglises, Francesco, Puybasset, Louis, Rao, Chethan, Rasmussen, Lindsay, Rasulo, Frank, Ray, Bappaditya, Ricci, Zaccaria, Richardson, Risa, Shinotsuka, Cassia Righy, Robba, Chiara, Robertson, Courtney, Rohaut, Benjamin, Rolston, John, Romagnoli, Stefano, Rosanova, Mario, Rosenthal, Eric, Rowe, Shaun, Rubin, Michael, Russell, Mary Beth, Silva, Gisele Sampaio, Sanz, Leandro, Sarasso, Simone, Sarwal, Aarti, Schiff, Nicolas, Schnakers, Caroline, Seder, David, Shah, Vishank Arun, Shapiro-Rosenbaubm, Amy, Shapshak, Angela, Sharma, Kartavya, Sharma, Kumar Ajay, Shutter, Lori, Sitt, Jacobo, Slomine, Beth, Smetana, Keaton, Smielewski, Peter, Smith, Wade, Stamatakis, Emmanuel, Steinberg, Alexis, Stevens, Robert, Suarez, Jose, Sung, Gene, Sussman, Bethany, Taran, Shaurya, Mazzeo, Anna Teresa, Thibaut, Aurore, Thompson, David, Threlkeld, Zachary, Toker, Daniel, Torbey, Michel, Tosto, Jenna, Trevick, Stephen, Tsaousi, Georgia, Turgeon, Alexis, Udy, Andrew, Varelas, Panos, Vespa, Paul, Videtta, Walter, Voss, Henning, Vox, Ford, Wagner, Amy, Wahlster, Sarah, Wainwright, Mark, Whyte, John, Witherspoon, Briana, Yakhkind, Aleksandra (Sasha), Yeager, Susan, Young, Michael, Zafar, Sahar, Zafonte, Ross, Zahuranec, Darin, Zammit, Chris, Zhang, Bei, Ziai, Wendy, Zimmerman, Lara, Zink, Elizabeth, Tinti, L, Lawson, T, Molteni, E, Kondziella, D, Rass, V, Sharshar, T, Bodien, Y, Giacino, J, Mayer, S, Amiri, M, Muehlschlegel, S, Venkatasubba Rao, C, Vespa, P, Menon, D, Citerio, G, Helbok, R, Mcnett, M, Agarwal, S, Aiyagari, V, Akbari, Y, Albertson, A, Alexander, S, Alexandrov, A, Alkhachroum, A, Al-Mufti, F, Appavu, B, Gebrewold, M, Ayounb, M, Badenes, R, Bader, M, Badjiata, N, Balu, R, Barlow, B, Barra, M, Beekman, R, Beghi, E, Beqiri, E, Berlin, T, Bilotta, F, Bleck, T, Boerwinkle, V, Boly, M, Bonnel, A, Brazzi, L, Brown, E, Bulic, S, Caceres, E, Caceres, A, Cafiero, T, Carroll, E, Cediel, E, Chou, S, Claassen, J, Condie, C, Conti, A, Cosmas, K, Costa, P, Creutzfeldt, C, Dangayach, N, Dauri, M, Debicki, D, Degeorgia, M, Der-Nigoghossian, C, Desai, M, Dhar, R, Diringer, M, Durr, E, Edlow, B, Ercole, A, Estraneo, A, Falcone, G, Farrokh, S, Ferguson, A, Fernandez-Espejo, D, Fink, E, Fins, J, Foreman, B, Franchi, F, Frontera, J, Ganesan, R, Gaspard, N, Ghavam, A, Gibbons, C, Gilmore, E, Glustein, C, Gosseries, O, Green, T, Greer, D, Guanci, M, Gupta, D, Hahn, C, Hakimi, R, Hammond, F, Hanley, D, Hartings, J, Hassan, A, Hemphill, C, Da Cunha, A, Hinson, H, Hirsch, K, Hocker, S, Hu, P, Hu, X, Human, T, Hwang, D, Illes, J, Jaffa, M, James, M, Janas, A, Johnson, S, Jones, M, Jox, R, Kalanuria, A, Keller, E, Kennedy, L, Kennelly, M, Keogh, M, Kim, J, Kim, K, Kirsch, H, Kirschen, M, Ko, N, Kreitzer, N, Kromm, J, Kumar, A, Kurtz, P, Laureys, S, Lejeune, N, Lewis, A, Liang, J, Ling, G, Livesay, S, Luppi, A, Macdonald, J, Maddux, C, Mahanes, D, Mainali, S, Maldonado, N, Ribeiro, R, Mascia, L, Massimini, M, Mathur, R, Mccredie, V, Mejia-Mantilla, J, Mendoza, M, Meyfroidt, G, Mijangos, J, Moberg, D, Moheet, A, Montalenti, E, Monti, M, Morrison, C, Munar, M, Murtaugh, B, Naccache, L, Nagayama, M, Nairon, E, Nakagawa, T, Naldi, A, Narenthiran, G, Natarajan, G, Nemetsky, E, Newcombe, V, Nielsen, N, Niznick, N, Noronha-Falcão, F, Nyquist, P, Olson, D, Othman, M, Owen, A, Padayachy, L, Pajoumand, M, Park, S, Pergakis, M, Perry, H, Polizzotto, L, Pouratian, N, Spivack, M, Prisco, L, Provencio, J, Puglises, F, Puybasset, L, Rao, C, Rasmussen, L, Rasulo, F, Ray, B, Ricci, Z, Richardson, R, Shinotsuka, C, Robba, C, Robertson, C, Rohaut, B, Rolston, J, Romagnoli, S, Rosanova, M, Rosenthal, E, Rowe, S, Rubin, M, Russell, M, Silva, G, Sanz, L, Sarasso, S, Sarwal, A, Schiff, N, Schnakers, C, Seder, D, Shah, V, Shapiro-Rosenbaubm, A, Shapshak, A, Sharma, K, Shutter, L, Sitt, J, Slomine, B, Smetana, K, Smielewski, P, Smith, W, Stamatakis, E, Steinberg, A, Stevens, R, Suarez, J, Sung, G, Sussman, B, Taran, S, Mazzeo, A, Thibaut, A, Thompson, D, Threlkeld, Z, Toker, D, Torbey, M, Tosto, J, Trevick, S, Tsaousi, G, Turgeon, A, Udy, A, Varelas, P, Videtta, W, Voss, H, Vox, F, Wagner, A, Wahlster, S, Wainwright, M, Whyte, J, Witherspoon, B, Yakhkind, A, Yeager, S, Young, M, Zafar, S, Zafonte, R, Zahuranec, D, Zammit, C, Zhang, B, Ziai, W, Zimmerman, L, Zink, E, Tinti, Lorenzo, Lawson, Thomas, Molteni, Erika, Kondziella, Daniel, Rass, Verena, Sharshar, Tarek, Bodien, Yelena G, Giacino, Joseph T, Mayer, Stephan A, Amiri, Moshgan, Muehlschlegel, Susanne, Venkatasubba Rao, Chethan P, Vespa, Paul M, Menon, David K, Citerio, Giuseppe, Helbok, Raimund, McNett, Molly, Agarwal, Sachin, Aiyagari, Venkatesh, Akbari, Yama, Albertson, Asher, Alexander, Sheila, Alexandrov, Anne, Alkhachroum, Ayham, Al-Mufti, Fawaz, Amiri, Moshagan, Appavu, Brian, Gebrewold, Meron Awraris, Ayounb, Marc, Badenes, Rafael, Bader, Mary Kay, Badjiata, Neeraj, Balu, Ram, Barlow, Brooke, Barra, Megan, Beekman, Rachel, Beghi, Ettore, Beqiri, Erta, Berlin, Tracey, Bilotta, Federico, Bleck, Thomas, Bodien, Yelena, Boerwinkle, Varina, Boly, Melanie, Bonnel, Alexandra, Brazzi, Luca, Brown, Emery, Bulic, Sebina, Caceres, Eder, Caceres, Adrian, Cafiero, Tullio, Carroll, Elizabeth, Cediel, Emilio G, Chou, Sherry, Claassen, Jan, Condie, Chad, Conti, Alfredo, Cosmas, Katie, Costa, Paolo, Creutzfeldt, Claire, Dangayach, Neha, Dauri, Mario, Debicki, Derek, DeGeorgia, Michael, Der-Nigoghossian, Caroline, Desai, Masoom, Dhar, Rajat, Diringer, Michael, Durr, Emily, Edlow, Brian, Ercole, Ari, Estraneo, Anna, Falcone, Guido, Farrokh, Salia, Ferguson, Adam, Fernandez-Espejo, Davinia, Fink, Ericka, Fins, Joseph, Foreman, Brandon, Franchi, Federico, Frontera, Jennifer, Ganesan, Rishi, Gaspard, Nicolas, Ghavam, Ahmeneh, Giacino, Joseph, Gibbons, Christie, Gilmore, Emily, Glustein, Chavie, Gosseries, Olivia, Green, Theresa, Greer, David, Guanci, Mary, Gupta, Deepak, Hahn, Cecil, Hakimi, Ryan, Hammond, Flora, Hanley, Daniel F, Hartings, Jed, Hassan, Ahmed, Hemphill, Claude, Da Cunha, Arthur Henrique Galvão Bruno, Hinson, Holly, Hirsch, Karen, Hocker, Sarah, Hu, Peter, Hu, Xiao, Human, Theresa, Hwang, David, Illes, Judy, Jaffa, Matthew, James, Michael L, Janas, Anna, Johnson, Susan, Jones, Morgan, Jox, Ralf J, Kalanuria, Atul, Keller, Emanuela, Kennedy, Lori, Kennelly, Megan, Keogh, Maggie, Kim, Jenn, Kim, Keri, Kirsch, Hannah, Kirschen, Matthew, Ko, Nerissa, Kreitzer, Natalie, Kromm, Julie, Kumar, Abhay, Kurtz, Pedro, Laureys, Steven, Lejeune, Nicolas, Lewis, Ariane, Liang, John, Ling, Geoffrey, Livesay, Sarah, Luppi, Andrea, MacDonald, Jennifer, Maddux, Craig, Mahanes, Dea, Mainali, Shraddha, Maldonado, Nelson, Ribeiro, Rennan Martins, Mascia, Luciana, Massimini, Marcello, Mathur, Rohan, Mayer, Stephan, McCredie, Victoria, Mejia-Mantilla, Jorge, Mendoza, Michael, Menon, David, Meyfroidt, Geert, Mijangos, Julio, Moberg, Dick, Moheet, Asma, Montalenti, Elisa, Monti, Martin, Morrison, Chris, Munar, Marina, Murtaugh, Brooke, Naccache, Lionel, Nagayama, Masao, Nairon, Emerson, Nakagawa, Thomas, Naldi, Andrea, Narenthiran, Ganesalingam, Natarajan, Girija, Nemetsky, Esther, Newcombe, Virginia, Nielsen, Niklas, Niznick, Naomi, Noronha-Falcão, Filipa, Nyquist, Paul, Olson, DaiWai, Othman, Marwan, Owen, Adrian, Padayachy, Llewellyn, Pajoumand, Mehrnaz, Park, Soojin, Pergakis, Melissa, Perry, Heidi, Polizzotto, Len, Pouratian, Nader, Spivack, Marilyn Price, Prisco, Lara, Provencio, Javier, Puglises, Francesco, Puybasset, Louis, Rao, Chethan, Rasmussen, Lindsay, Rasulo, Frank, Ray, Bappaditya, Ricci, Zaccaria, Richardson, Risa, Shinotsuka, Cassia Righy, Robba, Chiara, Robertson, Courtney, Rohaut, Benjamin, Rolston, John, Romagnoli, Stefano, Rosanova, Mario, Rosenthal, Eric, Rowe, Shaun, Rubin, Michael, Russell, Mary Beth, Silva, Gisele Sampaio, Sanz, Leandro, Sarasso, Simone, Sarwal, Aarti, Schiff, Nicolas, Schnakers, Caroline, Seder, David, Shah, Vishank Arun, Shapiro-Rosenbaubm, Amy, Shapshak, Angela, Sharma, Kartavya, Sharma, Kumar Ajay, Shutter, Lori, Sitt, Jacobo, Slomine, Beth, Smetana, Keaton, Smielewski, Peter, Smith, Wade, Stamatakis, Emmanuel, Steinberg, Alexis, Stevens, Robert, Suarez, Jose, Sung, Gene, Sussman, Bethany, Taran, Shaurya, Mazzeo, Anna Teresa, Thibaut, Aurore, Thompson, David, Threlkeld, Zachary, Toker, Daniel, Torbey, Michel, Tosto, Jenna, Trevick, Stephen, Tsaousi, Georgia, Turgeon, Alexis, Udy, Andrew, Varelas, Panos, Vespa, Paul, Videtta, Walter, Voss, Henning, Vox, Ford, Wagner, Amy, Wahlster, Sarah, Wainwright, Mark, Whyte, John, Witherspoon, Briana, Yakhkind, Aleksandra (Sasha), Yeager, Susan, Young, Michael, Zafar, Sahar, Zafonte, Ross, Zahuranec, Darin, Zammit, Chris, Zhang, Bei, Ziai, Wendy, Zimmerman, Lara, and Zink, Elizabeth

Abstract

Disorders of consciousness are neurological conditions characterized by impaired arousal and awareness of self and environment. Behavioural responses are absent or are present but fluctuate. Disorders of consciousness are commonly encountered as a consequence of both acute and chronic brain injuries, yet reliable epidemiological estimates would require inclusive, operational definitions of the concept, as well as wider knowledge dissemination among involved professionals. Whereas several manifestations have been described, including coma, vegetative state/unresponsive wakefulness syndrome and minimally conscious state, a comprehensive neurobiological definition for disorders of consciousness is still lacking. The scientific literature is primarily observational, and studies-specific aetiologies lead to disorders of consciousness. Despite advances in these disease-related forms, there remains uncertainty about whether disorders of consciousness are a disease-agnostic unitary entity with a common mechanism, prognosis or treatment response paradigm. Our knowledge of disorders of consciousness has also been hampered by heterogeneity of study designs, variables, and outcomes, leading to results that are not comparable for evidence synthesis. The different backgrounds of professionals caring for patients with disorders of consciousness and the different goals at different stages of care could partly explain this variability. The Prospective Studies working group of the Neurocritical Care Society Curing Coma Campaign was established to create a platform for observational studies and future clinical trials on disorders of consciousness and coma across the continuum of care. In this narrative review, the author panel presents limitations of prior observational clinical research and outlines practical considerations for future investigations. A narrative review format was selected to ensure that the full breadth of study design considerations could be addressed and to facilit

Published
2024

10. Common Data Elements for Disorders of Consciousness: Recommendations from the Working Group on Hospital Course, Confounders, and Medications

Author

Barra, M, Zink, E, Bleck, T, Caceres, E, Farrokh, S, Foreman, B, Cediel, E, Hemphill, J, Nagayama, M, Olson, D, Suarez, J, Aiyagari, V, Akbari, Y, Al-Mufti, F, Alexander, S, Alexandrov, A, Alkhachroum, A, Amiri, M, Appavu, B, Gebre, M, Bader, M, Badjiata, N, Balu, R, Beekman, R, Beghi, E, Bell, K, Beqiri, E, Berlin, T, Bodien, Y, Boerwinkle, V, Boly, M, Bonnel, A, Brown, E, Carroll, E, Chou, S, Citerio, G, Classen, J, Condie, C, Cosmas, K, Creutzfeldt, C, Dangayach, N, Degeorgia, M, Der-Nigoghoss, C, Desai, M, Diringer, M, Dullaway, J, Edlow, B, Ercole, A, Estraneo, A, Falcone, G, Padayachy, L, Park, S, Pergakis, M, Polizzotto, L, Pouratian, N, Spivack, M, Prisco, L, Provencio, J, Puybasset, L, Rasmussen, L, Rass, V, Richardson, R, Shinots, C, Robba, C, Robertson, C, Rohaut, B, Rolston, J, Rosanova, M, Rosenthal, E, Russell, M, Silva, G, Sanz, L, Sarasso, S, Sarwal, A, Schiff, N, Schnakers, C, Seder, D, Shah, V, Shapiro-Rosen, A, Shapshak, A, Sharma, K, Sharshar, T, Shutter, L, Sitt, J, Slomine, B, Smielewski, P, Smith, W, Stamatakis, E, Steinberg, A, Ferioli, S, Fernandez-Esp, D, Fink, E, Fins, J, Frontera, J, Ganesan, R, Ghavam, A, Giacino, J, Gibbons, C, Gilmore, E, Gosseries, O, Green, T, Greer, D, Guanci, M, Hahn, C, Hakimi, R, Hanley, D, Hartings, J, Hassan, A, Hinson, H, Hirsch, K, Hocker, S, Hu, P, Hu, X, Human, T, Hwang, D, Illes, J, Jaffa, M, James, M, Janas, A, Jones, M, Keller, E, Keogh, M, Kim, J, Kim, K, Kirsch, H, Kirschen, M, Ko, N, Kondziella, D, Kreitzer, N, Stevens, R, Sussman, B, Taran, S, Thibaut, A, Threlkeld, Z, Tinti, L, Toker, D, Torbey, M, Trevick, S, Turgeon, A, Udy, A, Varelas, P, Venkatasubba, C, Vespa, P, Videtta, W, Voss, H, Vox, F, Wagner, A, Wainwright, M, Whyte, J, Witherspoon, B, Yakhind, A, Zafonte, R, Zahuranec, D, Zammit, C, Zhang, B, Ziai, W, Zimmerman, L, Kromm, J, Kumar, A, Kurtz, P, Laureys, S, Lawson, T, Lejeune, N, Lewis, A, Liang, J, Ling, G, Livesay, S, Luppi, A, Madden, L, Maddux, C, Mahanes, D, Mainali, S, Maldonado, N, Ribeiro, R, Massimini, M, Mayer, S, Mccredie, V, Mcnett, M, Mejia-Mantill, J, Menon, D, Meyfroidt, G, Mijangos, J, Moberg, D, Moheet, A, Molteni, E, Monti, M, Morrison, C, Muehlschlegel, S, Murtaugh, B, Naccache, L, Nairon, E, Natarajan, G, Newcombe, V, Nielsen, N, Noronha-Falc‹, F, Nyquist, P, Othman, M, Owen, A, Barra M. E., Zink E. K., Bleck T. P., Caceres E., Farrokh S., Foreman B., Cediel E. G., Hemphill J. C., Nagayama M., Olson D. W. M., Suarez J. I., Aiyagari V., Akbari Y., Al-Mufti F., Alexander S., Alexandrov A., Alkhachroum A., Amiri M., Appavu B., Gebre M. A., Bader M. K., Badjiata N., Balu R., Beekman R., Beghi E., Bell K., Beqiri E., Berlin T., Bodien Y., Boerwinkle V., Boly M., Bonnel A., Brown E., Carroll E., Chou S., Citerio G., Classen J., Condie C., Cosmas K., Creutzfeldt C., Dangayach N., DeGeorgia M., Der-Nigoghoss C., Desai M., Diringer M., Dullaway J., Edlow B., Ercole A., Estraneo A., Falcone G., Padayachy L., Park S., Pergakis M., Polizzotto L., Pouratian N., Spivack M. P., Prisco L., Provencio J., Puybasset L., Rasmussen L., Rass V., Richardson R., Shinots C. R., Robba C., Robertson C., Rohaut B., Rolston J., Rosanova M., Rosenthal E., Russell M. B., Silva G. S., Sanz L., Sarasso S., Sarwal A., Schiff N., Schnakers C., Seder D., Shah V. A., Shapiro-Rosen A., Shapshak A., Sharma K., Sharshar T., Shutter L., Sitt J., Slomine B., Smielewski P., Smith W., Stamatakis E., Steinberg A., Ferioli S., Fernandez-Esp D., Fink E., Fins J., Frontera J., Ganesan R., Ghavam A., Giacino J., Gibbons C., Gilmore E., Gosseries O., Green T., Greer D., Guanci M., Hahn C., Hakimi R., Hanley D. F., Hartings J., Hassan A., Hinson H., Hirsch K., Hocker S., Hu P., Hu X., Human T., Hwang D., Illes J., Jaffa M., James M. L., Janas A., Jones M., Keller E., Keogh M., Kim J., Kim K., Kirsch H., Kirschen M., Ko N., Kondziella D., Kreitzer N., Stevens R., Sussman B., Taran S., Thibaut A., Threlkeld Z., Tinti L., Toker D., Torbey M., Trevick S., Turgeon A., Udy A., Varelas P., Venkatasubba C., Vespa P., Videtta W., Voss H., Vox F., Wagner A., Wainwright M., Whyte J., Witherspoon B., Yakhind A., Zafonte R., Zahuranec D., Zammit C., Zhang B., Ziai W., Zimmerman L., Kromm J., Kumar A., Kurtz P., Laureys S., Lawson T., Lejeune N., Lewis A., Liang J., Ling G., Livesay S., Luppi A., Madden L., Maddux C., Mahanes D., Mainali S., Maldonado N., Ribeiro R. M., Massimini M., Mayer S., McCredie V., McNett M., Mejia-Mantill J., Menon D., Meyfroidt G., Mijangos J., Moberg D., Moheet A., Molteni E., Monti M., Morrison C., Muehlschlegel S., Murtaugh B., Naccache L., Nairon E., Natarajan G., Newcombe V., Nielsen N., Noronha-Falc‹ F., Nyquist P., Othman M., Owen A., Barra, M, Zink, E, Bleck, T, Caceres, E, Farrokh, S, Foreman, B, Cediel, E, Hemphill, J, Nagayama, M, Olson, D, Suarez, J, Aiyagari, V, Akbari, Y, Al-Mufti, F, Alexander, S, Alexandrov, A, Alkhachroum, A, Amiri, M, Appavu, B, Gebre, M, Bader, M, Badjiata, N, Balu, R, Beekman, R, Beghi, E, Bell, K, Beqiri, E, Berlin, T, Bodien, Y, Boerwinkle, V, Boly, M, Bonnel, A, Brown, E, Carroll, E, Chou, S, Citerio, G, Classen, J, Condie, C, Cosmas, K, Creutzfeldt, C, Dangayach, N, Degeorgia, M, Der-Nigoghoss, C, Desai, M, Diringer, M, Dullaway, J, Edlow, B, Ercole, A, Estraneo, A, Falcone, G, Padayachy, L, Park, S, Pergakis, M, Polizzotto, L, Pouratian, N, Spivack, M, Prisco, L, Provencio, J, Puybasset, L, Rasmussen, L, Rass, V, Richardson, R, Shinots, C, Robba, C, Robertson, C, Rohaut, B, Rolston, J, Rosanova, M, Rosenthal, E, Russell, M, Silva, G, Sanz, L, Sarasso, S, Sarwal, A, Schiff, N, Schnakers, C, Seder, D, Shah, V, Shapiro-Rosen, A, Shapshak, A, Sharma, K, Sharshar, T, Shutter, L, Sitt, J, Slomine, B, Smielewski, P, Smith, W, Stamatakis, E, Steinberg, A, Ferioli, S, Fernandez-Esp, D, Fink, E, Fins, J, Frontera, J, Ganesan, R, Ghavam, A, Giacino, J, Gibbons, C, Gilmore, E, Gosseries, O, Green, T, Greer, D, Guanci, M, Hahn, C, Hakimi, R, Hanley, D, Hartings, J, Hassan, A, Hinson, H, Hirsch, K, Hocker, S, Hu, P, Hu, X, Human, T, Hwang, D, Illes, J, Jaffa, M, James, M, Janas, A, Jones, M, Keller, E, Keogh, M, Kim, J, Kim, K, Kirsch, H, Kirschen, M, Ko, N, Kondziella, D, Kreitzer, N, Stevens, R, Sussman, B, Taran, S, Thibaut, A, Threlkeld, Z, Tinti, L, Toker, D, Torbey, M, Trevick, S, Turgeon, A, Udy, A, Varelas, P, Venkatasubba, C, Vespa, P, Videtta, W, Voss, H, Vox, F, Wagner, A, Wainwright, M, Whyte, J, Witherspoon, B, Yakhind, A, Zafonte, R, Zahuranec, D, Zammit, C, Zhang, B, Ziai, W, Zimmerman, L, Kromm, J, Kumar, A, Kurtz, P, Laureys, S, Lawson, T, Lejeune, N, Lewis, A, Liang, J, Ling, G, Livesay, S, Luppi, A, Madden, L, Maddux, C, Mahanes, D, Mainali, S, Maldonado, N, Ribeiro, R, Massimini, M, Mayer, S, Mccredie, V, Mcnett, M, Mejia-Mantill, J, Menon, D, Meyfroidt, G, Mijangos, J, Moberg, D, Moheet, A, Molteni, E, Monti, M, Morrison, C, Muehlschlegel, S, Murtaugh, B, Naccache, L, Nairon, E, Natarajan, G, Newcombe, V, Nielsen, N, Noronha-Falc‹, F, Nyquist, P, Othman, M, Owen, A, Barra M. E., Zink E. K., Bleck T. P., Caceres E., Farrokh S., Foreman B., Cediel E. G., Hemphill J. C., Nagayama M., Olson D. W. M., Suarez J. I., Aiyagari V., Akbari Y., Al-Mufti F., Alexander S., Alexandrov A., Alkhachroum A., Amiri M., Appavu B., Gebre M. A., Bader M. K., Badjiata N., Balu R., Beekman R., Beghi E., Bell K., Beqiri E., Berlin T., Bodien Y., Boerwinkle V., Boly M., Bonnel A., Brown E., Carroll E., Chou S., Citerio G., Classen J., Condie C., Cosmas K., Creutzfeldt C., Dangayach N., DeGeorgia M., Der-Nigoghoss C., Desai M., Diringer M., Dullaway J., Edlow B., Ercole A., Estraneo A., Falcone G., Padayachy L., Park S., Pergakis M., Polizzotto L., Pouratian N., Spivack M. P., Prisco L., Provencio J., Puybasset L., Rasmussen L., Rass V., Richardson R., Shinots C. R., Robba C., Robertson C., Rohaut B., Rolston J., Rosanova M., Rosenthal E., Russell M. B., Silva G. S., Sanz L., Sarasso S., Sarwal A., Schiff N., Schnakers C., Seder D., Shah V. A., Shapiro-Rosen A., Shapshak A., Sharma K., Sharshar T., Shutter L., Sitt J., Slomine B., Smielewski P., Smith W., Stamatakis E., Steinberg A., Ferioli S., Fernandez-Esp D., Fink E., Fins J., Frontera J., Ganesan R., Ghavam A., Giacino J., Gibbons C., Gilmore E., Gosseries O., Green T., Greer D., Guanci M., Hahn C., Hakimi R., Hanley D. F., Hartings J., Hassan A., Hinson H., Hirsch K., Hocker S., Hu P., Hu X., Human T., Hwang D., Illes J., Jaffa M., James M. L., Janas A., Jones M., Keller E., Keogh M., Kim J., Kim K., Kirsch H., Kirschen M., Ko N., Kondziella D., Kreitzer N., Stevens R., Sussman B., Taran S., Thibaut A., Threlkeld Z., Tinti L., Toker D., Torbey M., Trevick S., Turgeon A., Udy A., Varelas P., Venkatasubba C., Vespa P., Videtta W., Voss H., Vox F., Wagner A., Wainwright M., Whyte J., Witherspoon B., Yakhind A., Zafonte R., Zahuranec D., Zammit C., Zhang B., Ziai W., Zimmerman L., Kromm J., Kumar A., Kurtz P., Laureys S., Lawson T., Lejeune N., Lewis A., Liang J., Ling G., Livesay S., Luppi A., Madden L., Maddux C., Mahanes D., Mainali S., Maldonado N., Ribeiro R. M., Massimini M., Mayer S., McCredie V., McNett M., Mejia-Mantill J., Menon D., Meyfroidt G., Mijangos J., Moberg D., Moheet A., Molteni E., Monti M., Morrison C., Muehlschlegel S., Murtaugh B., Naccache L., Nairon E., Natarajan G., Newcombe V., Nielsen N., Noronha-Falc‹ F., Nyquist P., Othman M., and Owen A.

Abstract

The convergence of an interdisciplinary team of neurocritical care specialists to organize the Curing Coma Campaign is the first effort of its kind to coordinate national and international research efforts aimed at a deeper understanding of disorders of consciousness (DoC). This process of understanding includes translational research from bench to bedside, descriptions of systems of care delivery, diagnosis, treatment, rehabilitation, and ethical frameworks. The description and measurement of varying confounding factors related to hospital care was thought to be critical in furthering meaningful research in patients with DoC. Interdisciplinary hospital care is inherently varied across geographical areas as well as community and academic medical centers. Access to monitoring technologies, specialist consultation (medical, nursing, pharmacy, respiratory, and rehabilitation), staffing resources, specialty intensive and acute care units, specialty medications and specific surgical, diagnostic and interventional procedures, and imaging is variable, and the impact on patient outcome in terms of DoC is largely unknown. The heterogeneity of causes in DoC is the source of some expected variability in care and treatment of patients, which necessitated the development of a common nomenclature and set of data elements for meaningful measurement across studies. Guideline adherence in hemorrhagic stroke and severe traumatic brain injury may also be variable due to moderate or low levels of evidence for many recommendations. This article outlines the process of the development of common data elements for hospital course, confounders, and medications to streamline definitions and variables to collect for clinical studies of DoC.

Published
2023

18. Leveraging Dynamical Symmetries in Two-Dimensional Electronic Spectra to Extract Population Transfer Pathways

Author

Jacob S. Higgins, Anna R. Dardia, Chidera J. Ndife, Lawson T. Lloyd, Elizabeth M. Bain, and Gregory S. Engel

Subjects
Kinetics, Energy Transfer, Spectrum Analysis, Electronics, Physical and Theoretical Chemistry, Vibration
Abstract

We present a method to deterministically isolate population transfer kinetics from two-dimensional electronic spectroscopic signals. Central to this analysis is the characterization of how all possible subensembles of excited state systems evolve through the population time. When these dynamics are diagrammatically mapped by using double-sided Feynman pathways where population time dynamics are included, a useful symmetry emerges between excited state absorption and ground state bleach recovery dynamics of diagonal and below diagonal cross-peak signals. This symmetry allows removal of pathways from the spectra to isolate signals that evolve according to energy transfer kinetics. We describe a regression procedure to fit to energy transfer time constants and characterize the accuracy of the method in a variety of complex excited state systems using simulated two-dimensional spectra. Our results show that the method is robust for extracting ultrafast energy transfer in multistate excitonic systems, systems containing dark states that affect the signal kinetics, and systems with interfering vibrational relaxation pathways. This procedure can be used to accurately extract energy transfer kinetics from a wide variety of condensed phase systems.

Published
2022
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22. Progress on nuclear reaction rates affecting the stellar production of 26Al

Author

Laird, A M, primary, Lugaro, M, additional, Kankainen, A, additional, Adsley, P, additional, Bardayan, D W, additional, Brinkman, H E, additional, Côté, B, additional, Deibel, C M, additional, Diehl, R, additional, Hammache, F, additional, den Hartogh, J W, additional, José, J, additional, Kurtulgil, D, additional, Lederer-Woods, C, additional, Lotay, G, additional, Meynet, G, additional, Palmerini, S, additional, Pignatari, M, additional, Reifarth, R, additional, de Séréville, N, additional, Sieverding, A, additional, Stancliffe, R J, additional, Trueman, T C L, additional, Lawson, T, additional, Vink, J S, additional, Massimi, C, additional, and Mengoni, A, additional

Published
2023
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23. Computational Characterization of Zr-Oxide MOFs for Adsorption Applications

Author

Rama Oktavian, Raymond Schireman, Lawson T. Glasby, Guanming Huang, Federica Zanca, David Fairen-Jimenez, Michael T. Ruggiero, Peyman Z. Moghadam, Fairen-Jimenez, David [0000-0002-5013-1194], Ruggiero, Michael T [0000-0003-1848-2565], Moghadam, Peyman Z [0000-0002-1592-0139], and Apollo - University of Cambridge Repository

Subjects
carbon capture, Functional Inorganic Materials and Devices, structure−property relationships, General Materials Science, CO2 adsorption, DFT calculations, augmented reality, Research Article, Zr-oxide MOFs
Abstract

Funder: Cambridge Crystallographic Data Centre, Funder: University of Vermont, Funder: Engineering and Physical Sciences Research Council, Zr-oxide secondary building units construct metal-organic framework (MOF) materials with excellent gas adsorption properties and high mechanical, thermal, and chemical stability. These attributes have led Zr-oxide MOFs to be well-recognized for a wide range of applications, including gas storage and separation, catalysis, as well as healthcare domain. Here, we report structure search methods within the Cambridge Structural Database (CSD) to create a curated subset of 102 Zr-oxide MOFs synthesized to date, bringing a unique record for all researchers working in this area. For the identified structures, we manually corrected the proton topology of hydroxyl and water molecules on the Zr-oxide nodes and characterized their textural properties, Brunauer-Emmett-Teller (BET) area, and topology. Importantly, we performed systematic periodic density functional theory (DFT) calculations comparing 25 different combinations of basis sets and functionals to calculate framework partial atomic charges for use in gas adsorption simulations. Through experimental verification of CO2 adsorption in selected Zr-oxide MOFs, we demonstrate the sensitivity of CO2 adsorption predictions at the Henry's regime to the choice of the DFT method for partial charge calculations. We characterized Zr-MOFs for their CO2 adsorption performance via high-throughput grand canonical Monte Carlo (GCMC) simulations and revealed how the chemistry of the Zr-oxide node could have a significant impact on CO2 uptake predictions. We found that the maximum CO2 uptake is obtained for structures with the heat of adsorption values >25 kJ/mol and the largest cavity diameters of ca. 6-7 Å. Finally, we introduced augmented reality (AR) visualizations as a means to bring adsorption phenomena alive in porous adsorbents and to dynamically explore gas adsorption sites in MOFs.

Published
2022

25. PP 1.37 – 00186 Investigating Short-Term Effects of COVID-19 mRNA Vaccination on Plasma Viremia and Intact HIV Reservoir Size in Individuals Receiving Antiretroviral Therapy (ART)

Author

Duncan, M.C., primary, Omondi, F.H., additional, Kinloch, N.N., additional, Lapointe, H.R., additional, Speckmaier, S., additional, Moran-Garcia, N., additional, Lowe, C.F., additional, Romney, M.G., additional, Lawson, T., additional, Harris, M., additional, Brockman, M.A., additional, and Brumme, Z.L., additional

Published
2022
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34. Topological Characterization of Metal–Organic Frameworks: A Perspective

Author

Glasby, Lawson T., Cordiner, Joan L., Cole, Jason C., and Moghadam, Peyman Z.

Abstract

Metal–organic frameworks (MOFs) began to emerge over two decades ago, resulting in the deposition of 120 000 MOF-like structures (and counting) into the Cambridge Structural Database (CSD). Topological analysis is a critical step toward understanding periodic MOF materials, offering insight into the design and synthesis of these crystals via the simplification of connectivity imposed on the complete chemical structure. While some of the most prevalent topologies, such as face-centered cubic (fcu), square lattice (sql), and diamond (dia), are simple and can be easily assigned to structures, MOFs that are built from complex building blocks, with multiple nodes of different symmetry, result in difficult to characterize topological configurations. In these complex structures, representations can easily diverge where the definition of nodes and linkers are blurred, especially for cases where they are not immediately obvious in chemical terms. Currently, researchers have the option to use software such as ToposPro, MOFid, and CrystalNets to aid in the assignment of topology descriptors to new and existing MOFs. These software packages are readily available and are frequently used to simplify original MOF structures into their basic connectivity representations before algorithmically matching these condensed representations to a database of underlying mathematical nets. These approaches often require the use of in-built bond assignment algorithms alongside the simplification and matching rules. In this Perspective, we discuss the importance of topology within the field of MOFs, the methods and techniques implemented by these software packages, and their availability and limitations and review their uptake within the MOF community.

Published
2024
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37. Evaluation of a next generation sequencing assay for Hepatitis B antiviral drug resistance on the oxford nanopore system.

Author

Payne M, Ritchie G, Lawson T, Young M, Jang W, Stefanovic A, Romney MG, Matic N, and Lowe CF

Abstract

Background: Next-generation sequencing (NGS) for Hepatitis B virus (HBV) antiviral resistance (AVR) testing is a highly sensitive diagnostic method, able to detect low-level mutant subpopulations. Our clinical virology laboratory previously transitioned from DNA hybridization (INNO-LiPA) to NGS, initially with the GS Junior System and subsequently the MiSeq. The Oxford Nanopore Technology (ONT) sequencing system was evaluated for HBV resistance testing, with regards to sequencing accuracy and turn-around time., Methods: We performed amplicon sequencing of the HBV polymerase gene from patient plasma and external quality assessment (EQA) samples on the MiSeq Reagent Nano Kit v2 and GridION ONT with R10.4.1 flowcells. Mutational analysis and genotyping were performed by DeepChek®Assay-HBV (version 2.0)., Results: A total of 49 patient samples and 15 EQA samples were tested on both the MiSeq and ONT. There was high agreement for both patient and EQA samples between the MiSeq and ONT systems, with regards to total drug resistance mutations detected and total patient sample agreement, 68/70 (97 %) and 47/49 (96 %), respectively., Conclusion: The ONT NGS platform provided accurate HBV AVR results, with improved turn-around times. Sequencing error rates at AVR codons were below 1 %., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2025. Published by Elsevier B.V.)

Published
2025
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38. Comparison of Maitland Passive Joint Mobilization and Self-Rehabilitation on Function, Activity, and Quality of Life in Beninese Patients With Hip Osteoarthritis: A Pragmatic Randomized Trial.

Author

Assogba TF, Zounon DA, Niama Natta DD, Sogbossi ES, Lawson T, Kpadonou T, Mahaudens P, and Detrembleur C

Subjects
Humans, Female, Male, Middle Aged, Single-Blind Method, Benin, Aged, Muscle Strength physiology, Treatment Outcome, Musculoskeletal Manipulations methods, Quality of Life, Osteoarthritis, Hip rehabilitation, Range of Motion, Articular physiology
Abstract

Background: Orthopedic manual therapy is currently considered as an alternative approach for treating hip osteoarthritis. However, studies assessing its efficacy in low-income countries in Sub-Saharan Africa are scarce., Objectives: Investigating the effectiveness of Maitland passive joint mobilization (Maitland PJM) compared to self-rehabilitation in patients with hip osteoarthritis in Benin, a low-income country, in Sub-Saharan Africa., Methods: This was a pragmatic, single-blind, two-arm randomized trial involving 66 participants randomly assigned into two groups (Maitland PJM group, n = 33, and self-rehabilitation group, n = 33). Both interventions took 5 weeks. The primary outcome (pain) was evaluated using numerical rating scale. Secondary outcomes (passive hip range of motion, muscles strength, walking, and quality of life) were assessed using goniometry, medical research council, 10 m walk test, and short-form 36. Participants were assessed at baseline, after interventions and 3-month follow-up., Results: Forty-nine patients (Maitland PJM group, n = 22, self-rehabilitation, n = 27) completed the sessions. Within-group analyses showed a significant improvement in body function, walking speed, and quality of life (p < 0.05) after interventions and at 3-month follow-up within both groups. No significant differences in any outcomes were observed between the Maitland PJM and self-rehabilitation groups, after interventions and at the 3-month follow-up (p > 0.05)., Conclusion: Maitland passive joint mobilization and self-rehabilitation similarly improved function, walking speed, and quality of life in Beninese patients with hip osteoarthritis., Trial Registration: PACTR201911553990405., (© 2024 John Wiley & Sons Ltd.)

Published
2025
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39. Multilayer films for photon upconversion-driven photoswitching.

Author

Wang Z, Jones BE, Franca LG, Lawson T, Jevric M, Moth-Poulsen K, and Evans RC

Abstract

Photoswitchable materials are of significant interest for diverse applications from energy and data storage to additive manufacturing and soft robotics. However, the absorption profile is often a limiting factor for practical applications. This can be overcome using indirect excitation via complementary photophysical pathways, such as triplet sensitisation or photon upconversion. Here, we demonstrate the use of triplet-triplet annihilation upconversion (TTA-UC) to drive photoswitching of the energy storing photoswitch norbornadiene-quadricyclane (NBD-QC) in the solid-state. A photoswitchable bilayer polymer film, incorporating the TTA-UC sensitiser-emitter pair of platinum octaethylporphyrin (PtOEP) and 9,10-diphenylanthracene (DPA), was used to trigger the photoinduced [2+2] cycloaddition of NBD to form QC using visible instead of UV light. The isolated TTA-UC film showed green-to-blue upconversion, with a competitive upconversion efficiency of (1.9 ± 0.1%) for the solid-state in air. Direct photoswitching of the isolated NBD film was demonstrated with a narrow UV light source (340 nm). However, in the bilayer film, spectral overlap between the upconverted blue emission in the TTA-UC film and the absorbance band of the NBD film resulted in indirect photoswitching using visible green light (532 nm, 1 W cm -2 ), thus extending the spectral operational window of the photoswitching film. The results demonstrate proof-of-feasibility of TTA-UC-promoted photoswitching in the solid-state, paving the way for potential applications in light-harvesting devices and smart coatings, using a wider selection of irradiation wavelengths., Competing Interests: There are no conflicts to declare., (This journal is © The Royal Society of Chemistry.)

Published
2024
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40. Fast stomatal kinetics in sorghum enable tight coordination with photosynthetic responses to dynamic light intensity and safeguard high water use efficiency.

Author

Battle MW, Vialet-Chabrand S, Kasznicki P, Simkin AJ, and Lawson T

Subjects
Kinetics, Sorghum physiology, Sorghum metabolism, Plant Stomata physiology, Plant Stomata radiation effects, Photosynthesis physiology, Water metabolism, Light
Abstract

In this study, we assessed 43 accessions of sorghum from 16 countries across three continents. Our objective was to identify stomatal and photosynthetic traits that could be exploited in breeding programmes to increase photosynthesis without increasing water use under dynamic light environments. Under field conditions, sorghum crops often have limited water availability and are exposed to rapidly fluctuating light intensities, which influences both photosynthesis and stomatal behaviour. Our results highlight a tight coupling between photosynthetic rate (A) and stomatal conductance (gs) even under dynamic light conditions that results in steady intrinsic water use efficiency (Wi). This was mainly due to rapid stomatal responses, with the majority of sorghum accessions responding within ≤5 min. The maintenance of the ratio of the concentration of CO2 inside the leaf (Ci) and the surrounding atmospheric concentration (Ca) over a large range of accessions suggests high stomatal sensitivity to changes in Ci, that could underlie the rapid gs responses and extremely close relationship between A and gs under both dynamic and steady-state conditions. Therefore, sorghum represents a prime candidate for uncovering the elusive mechanisms that coordinate A and gs, and such information could be used to design crops with high A without incurring significant water losses and eroding Wi., (© The Author(s) 2024. Published by Oxford University Press on behalf of the Society for Experimental Biology.)

Published
2024
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41. Exploring natural genetic diversity in a bread wheat multi-founder population: dual imaging of photosynthesis and stomatal kinetics.

Author

Faralli M, Mellers G, Wall S, Vialet-Chabrand S, Forget G, Galle A, Van Rie J, Gardner KA, Ober ES, Cockram J, and Lawson T

Subjects
Kinetics, Carbon Dioxide metabolism, Phenotype, Genotype, Plant Leaves physiology, Plant Leaves genetics, Triticum genetics, Triticum physiology, Photosynthesis, Plant Stomata physiology, Genetic Variation
Abstract

Recent research has shown that optimizing photosynthetic and stomatal traits holds promise for improved crop performance. However, standard phenotyping tools such as gas exchange systems have limited throughput. In this work, a novel approach based on a bespoke gas exchange chamber allowing combined measurement of the quantum yield of PSII (Fq'/Fm'), with an estimation of stomatal conductance via thermal imaging was used to phenotype a range of bread wheat (Triticum aestivum L.) genotypes. Using the dual-imaging methods and traditional approaches, we found broad and significant variation in key traits, including photosynthetic CO2 uptake at saturating light and ambient CO2 concentration (Asat), photosynthetic CO2 uptake at saturating light and elevated CO2 concentration (Amax), the maximum velocity of Rubisco for carboxylation (Vcmax), time for stomatal opening (Ki), and leaf evaporative cooling. Anatomical analysis revealed significant variation in flag leaf adaxial stomatal density. Associations between traits highlighted significant relationships between leaf evaporative cooling, leaf stomatal conductance, and Fq'/Fm', highlighting the importance of stomatal conductance and stomatal rapidity in maintaining optimal leaf temperature for photosynthesis in wheat. Additionally, gsmin and gsmax were positively associated, indicating that potential combinations of preferable traits (i.e. inherently high gsmax, low Ki, and maintained leaf evaporative cooling) are present in wheat. This work highlights the effectiveness of thermal imaging in screening dynamic gs in a panel of wheat genotypes. The wide phenotypic variation observed suggested the presence of exploitable genetic variability in bread wheat for dynamic stomatal conductance traits and photosynthetic capacity for targeted optimization within future breeding programmes., (© The Author(s) 2024. Published by Oxford University Press on behalf of the Society for Experimental Biology.)

Published
2024
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43. Synthesis of Core-Functionalised Naphthalenediimides from Naphthalenetetracarboxylic Dianhydride using a Vibratory Ball Mill: Bromination, Imidization and Heck-Type Reactions.

Author

Dodson EM, Lawson TE, Lai-Morrice J, Emerit H, Guest DP, Panther LA, Gonzalez-Mendez R, Roe SM, Goodall CAI, Bagley MC, Spencer J, and Greenland BW

Abstract

The synthesis of 9 core-functionalised naphthalene diimide (c-NDI) residues is reported via a 3-step synthesis from naphthalenetetracarboxylic dianhydride using only mechanochemical activation. Selective dibromination and subsequent diimidization were achieved for the first time in a vibratory ball mill, resulting in the key structural intermediate, 2,6-dibromonaphthalenediimide (DBND), which is the basis for elaboration into a multitude of organic electronic materials. Our new synthesis of DBND is achieved in just 5 hours reaction time over two steps compared to typical solution state times of 24 hours. Subsequent Heck-type cross coupling reactions, with a range of styrene residues, produced a series of c-NDIs in good yields. The Heck-type reactions are rapid (1.5 hours), require no additional heating or solvent and are tolerant of atmospheric moisture and air., (© 2024 The Author(s). Chemistry - A European Journal published by Wiley-VCH GmbH.)

Published
2024
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44. "Metabolight": how light spectra shape plant growth, development and metabolism.

Author

Lauria G, Ceccanti C, Lo Piccolo E, El Horri H, Guidi L, Lawson T, and Landi M

Subjects
Plants metabolism, Plants radiation effects, Crops, Agricultural growth & development, Crops, Agricultural metabolism, Crops, Agricultural radiation effects, Light, Plant Development radiation effects, Plant Development physiology
Abstract

Innovations in light technologies (i.e. Light Emitting Diodes; LED) and cover films with specific optical features (e.g. photo-selective, light-extracting) have revolutionized crop production in both protected environments and open fields. The possibility to modulate the light spectra, thereby enriching/depleting cultivated plants with targeted wavebands has attracted increasing interest from both basic and applicative research. Indeed, the light environment not only influences plant biomass production but is also a pivotal factor in shaping plant size, development and metabolism. In the last decade, the strict interdependence between specific wavebands and the accumulation of targeted secondary metabolites has been exploited to improve the quality of horticultural products. Innovation in LED lighting has also marked the improvement of streetlamp illumination, thereby posing new questions about the possible influence of light pollution on urban tree metabolism. In this case, it is urgent and challenging to propose new, less-impacting solutions by modulating streetlamp spectra in order to preserve the ecosystem services provided by urban trees. The present review critically summarizes the main recent findings related to the morpho-anatomical, physiological, and biochemical changes induced by light spectra management via different techniques in crops as well as in non-cultivated species. This review explores the following topics: (1) plant growth in monochromatic environments, (2) the use of greenhouse light supplementation, (3) the application of covering films with different properties, and (4) the drawbacks of streetlamp illumination on urban trees. Additionally, it proposes new perspectives offered by in planta photomodulation., (© 2024 The Author(s). Physiologia Plantarum published by John Wiley & Sons Ltd on behalf of Scandinavian Plant Physiology Society.)

Published
2024
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45. Plastic pollution in a rapidly developing nation: A comprehensive assessment of litter and marine debris surrounding coastal Cambodia.

Author

Roman L, Kong M, Barilli E, Chanrout R, Lawson TJ, Schuyler Q, and Hardesty BD

Subjects
Cambodia, Rivers chemistry, Waste Products analysis, Water Pollutants, Chemical analysis, Water Pollution statistics & numerical data, Water Pollution analysis, Developing Countries, Plastics analysis, Environmental Monitoring methods
Abstract

Cambodia is a rapidly developing country in south-east Asia, a region forecast as an outsized source of plastic pollution into the world's oceans. However, to date there has been no large-scale assessment of plastic pollution in the environment within the country. We conducted a comprehensive assessment of plastic items and hotspots across 243 coastal, river and inland sites along the entire coastline of Cambodia, recording 46,927 items in transects throughout the study area. Plastic densities along coastlines were more than ten times those on riverbanks and more than twenty times that of inland areas. Averaging 70 plastic items per metre of coastline, Cambodia has among the highest average loads of whole plastic items recorded on coastlines globally. Single-use plastic bottles were the most abundant whole item recorded, overrepresented by drinking water bottles. Polystyrene foam was the most common fragmented item. We provide specific recommendations to reduce plastic in Cambodia's environment., Competing Interests: Declaration of competing interest The authors declare the following financial interests/personal relationships which may be considered as potential competing interests: Britta Denise Hardesty reports financial support was provided by United Nations Environment Programme (UNEP) Coordinating Body on the Seas of East Asia (COBSEA). Britta Denise Hardesty reports was provided by Department of Foreign Affairs and Trade of Australia. If there are other authors, they declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Crown Copyright © 2024. Published by Elsevier Ltd. All rights reserved.)

Published
2024
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46. Editorial: Dynamic photosynthesis under non-steady conditions.

Author

Vialet-Chabrand S, Matsubara S, and Lawson T

Abstract

Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest. The author(s) declared that they were an editorial board member of Frontiers, at the time of submission. This had no impact on the peer review process and the final decision.

Published
2024
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47. Sinusoidal LED light recipes can improve rocket edible biomass and reduce electricity costs in indoor growth environments.

Author

Stamford JD, Hofmann TA, and Lawson T

Abstract

Accumulation of edible biomass by crop plants relies on maintenance of a high photosynthetic rates across the photoperiod, with assimilation rate ( A ) generally responding to increasing light intensity in a hyperbolic fashion. In natural environments light fluctuates greatly over the course of the day, however in Controlled Environmental Agricultural (CEA) systems, light intensity can be supplemented or precisely controlled using LEDs to create near optimum conditions. In such indoor growth environments light is often delivered as a square wave and recommendations to horticulturalists are given in the form of Daily Light Integrals (DLI). However, this does not take into account the slow photosynthetic induction at the start of the photoperiod and the decline of A towards the end of the photoperiod, which has been demonstrated by several previous studies. Square wave light regimes therefore potentially cause suboptimal photosynthetic utilization of the applied lighting and waste electricity. Here we have adapted light recipes to gradually increase and decrease in intensity to take account of these findings. We demonstrate that, utilising a sinusoidal light regime capped at 250 μmol m -2 s -1 , it is possible to increase edible biomass of rocket (by ca. 20%) compared to square wave delivered at 250 at the same DLI. Additionally, this can be achieved using less electricity (0.6%), therefore reducing energy costs and improving profitability. We suggest that capping maximum light intensity at 250 µmol m -2 s -1 improves the operating efficiency of PSII photochemistry ( Fq'/Fm' ) also known as the photosynthetic efficiency by maintaining A later in the photoperiod. We show that a higher electron transfer rate (ETR) is maintained in these treatments over the photoperiod compared to higher light intensity caps, resulting in a greater Daily Photochemical Integral (DPI). We attribute this to less NPQ due to a greater sink capacity for the end products of electron transport, ATP and NADPH, as A is kept high for longer., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest. The author(s) declared that they were an editorial board member of Frontiers, at the time of submission. This had no impact on the peer review process and the final decision., (Copyright © 2024 Stamford, Hofmann and Lawson.)

Published
2024
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48. Perspectives on improving photosynthesis to increase crop yield.

Author

Croce R, Carmo-Silva E, Cho YB, Ermakova M, Harbinson J, Lawson T, McCormick AJ, Niyogi KK, Ort DR, Patel-Tupper D, Pesaresi P, Raines C, Weber APM, and Zhu XG

Subjects
Ribulose-Bisphosphate Carboxylase metabolism, Plant Leaves metabolism, Plant Leaves physiology, Plant Leaves growth & development, Crop Production methods, Electron Transport, Nitrogen metabolism, Photosynthesis physiology, Crops, Agricultural metabolism, Crops, Agricultural growth & development, Carbon Dioxide metabolism
Abstract

Improving photosynthesis, the fundamental process by which plants convert light energy into chemical energy, is a key area of research with great potential for enhancing sustainable agricultural productivity and addressing global food security challenges. This perspective delves into the latest advancements and approaches aimed at optimizing photosynthetic efficiency. Our discussion encompasses the entire process, beginning with light harvesting and its regulation and progressing through the bottleneck of electron transfer. We then delve into the carbon reactions of photosynthesis, focusing on strategies targeting the enzymes of the Calvin-Benson-Bassham (CBB) cycle. Additionally, we explore methods to increase carbon dioxide (CO2) concentration near the Rubisco, the enzyme responsible for the first step of CBB cycle, drawing inspiration from various photosynthetic organisms, and conclude this section by examining ways to enhance CO2 delivery into leaves. Moving beyond individual processes, we discuss two approaches to identifying key targets for photosynthesis improvement: systems modeling and the study of natural variation. Finally, we revisit some of the strategies mentioned above to provide a holistic view of the improvements, analyzing their impact on nitrogen use efficiency and on canopy photosynthesis., Competing Interests: Conflict of interest statement. K.N. is an inventor on a patent “Transgenic plants with increased photosynthesis efficiency and growth” US20230183731A1, and K.N. and D.P.-T. are inventors on a patent application “Methods of screening for plant gain of function mutations and compositions therefor” US20230323480A1. All other authors declare no competing interests., (© The Author(s) 2024. Published by Oxford University Press on behalf of American Society of Plant Biologists.)

Published
2024
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49. Recent Advances on Carbon-Based Metal-Free Electrocatalysts for Energy and Chemical Conversions.

Author

Zhai Q, Huang H, Lawson T, Xia Z, Giusto P, Antonietti M, Jaroniec M, Chhowalla M, Baek JB, Liu Y, Qiao S, and Dai L

Abstract

Over the last decade, carbon-based metal-free electrocatalysts (C-MFECs) have become important in electrocatalysis. This field is started thanks to the initial discovery that nitrogen atom doped carbon can function as a metal-free electrode in alkaline fuel cells. A wide variety of metal-free carbon nanomaterials, including 0D carbon dots, 1D carbon nanotubes, 2D graphene, and 3D porous carbons, has demonstrated high electrocatalytic performance across a variety of applications. These include clean energy generation and storage, green chemistry, and environmental remediation. The wide applicability of C-MFECs is facilitated by effective synthetic approaches, e.g., heteroatom doping, and physical/chemical modification. These methods enable the creation of catalysts with electrocatalytic properties useful for sustainable energy transformation and storage (e.g., fuel cells, Zn-air batteries, Li-O 2 batteries, dye-sensitized solar cells), green chemical production (e.g., H 2 O 2 , NH 3 , and urea), and environmental remediation (e.g., wastewater treatment, and CO 2 conversion). Furthermore, significant advances in the theoretical study of C-MFECs via advanced computational modeling and machine learning techniques have been achieved, revealing the charge transfer mechanism for rational design and development of highly efficient catalysts. This review offers a timely overview of recent progress in the development of C-MFECs, addressing material syntheses, theoretical advances, potential applications, challenges and future directions., (© 2024 The Author(s). Advanced Materials published by Wiley‐VCH GmbH.)

Published
2024
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50. A guide to photosynthetic gas exchange measurements: Fundamental principles, best practice and potential pitfalls.

Author

Busch FA, Ainsworth EA, Amtmann A, Cavanagh AP, Driever SM, Ferguson JN, Kromdijk J, Lawson T, Leakey ADB, Matthews JSA, Meacham-Hensold K, Vath RL, Vialet-Chabrand S, Walker BJ, and Papanatsiou M

Subjects
Plant Leaves physiology, Plant Leaves metabolism, Carbon Dioxide metabolism, Plants metabolism, Photosynthesis physiology
Abstract

Gas exchange measurements enable mechanistic insights into the processes that underpin carbon and water fluxes in plant leaves which in turn inform understanding of related processes at a range of scales from individual cells to entire ecosytems. Given the importance of photosynthesis for the global climate discussion it is important to (a) foster a basic understanding of the fundamental principles underpinning the experimental methods used by the broad community, and (b) ensure best practice and correct data interpretation within the research community. In this review, we outline the biochemical and biophysical parameters of photosynthesis that can be investigated with gas exchange measurements and we provide step-by-step guidance on how to reliably measure them. We advise on best practices for using gas exchange equipment and highlight potential pitfalls in experimental design and data interpretation. The Supporting Information contains exemplary data sets, experimental protocols and data-modelling routines. This review is a community effort to equip both the experimental researcher and the data modeller with a solid understanding of the theoretical basis of gas-exchange measurements, the rationale behind different experimental protocols and the approaches to data interpretation., (© 2024 The Authors. Plant, Cell & Environment published by John Wiley & Sons Ltd.)

Published
2024
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