BEAST DB: Grand-Canonical Database of Electrocatalyst Properties

Autor: Tezak, Cooper, Clary, Jacob, Gerits, Sophie, Quinton, Joshua, Rich, Benjamin, Singstock, Nicholas, Alherz, Abdulaziz, Aubry, Taylor, Clark, Struan, Hurst, Rachel, Del Ben, Mauro, Sutton, Christopher, Sundararaman, Ravishankar, Musgrave, Charles, Vigil-Fowler, Derek

We present BEAST DB, an open-source database comprised of ab initio electrochemical data computed using grand-canonical density functional theory in implicit solvent at consistent calculation parameters. The database contains over 20,000 surface calc

Externí odkaz: http://arxiv.org/abs/2405.20239

An observational analysis of the impact of deltamethrin + piperonyl butoxide insecticide-treated nets on malaria case incidence and entomological indicators in Ebonyi State, Nigeria, 2017–2021

Autor: Kelly M. Davis, Okefu O. Okoko, Adedayo O. Oduola, Petrus U. Inyama, Chigozi J. Uneke, Kelley Ambrose, Aklilu Seyoum, Perpetua Uhomoibhi, Dale A. Rhoda, Caitlin B. Clary, Justin Millar, Megan Littrell, John H. Rogers, Melissa Yoshimizu, Uwem Inyang, Mark Maire, Sarah M. Burnett

Publikováno v: Malaria Journal, Vol 23, Iss 1, Pp 1-12 (2024)

Abstract Background Intense pyrethroid resistance threatens the effectiveness of the primary vector control intervention, insecticide-treated nets (ITNs), in Nigeria, the country with the largest malaria burden globally. In this study, the epidemiolo

Externí odkaz: https://doaj.org/article/a9930ab1cec74f699fc5b3546ac77c76

Beam Spin Asymmetry Measurements of Deeply Virtual $\pi^0$ Production with CLAS12

Autor: Kim, A., Diehl, S., Joo, K., Kubarovsky, V., Achenbach, P., Akbar, Z., Alvarado, J. S., Armstrong, Whitney R., Atac, H., Avakian, H., Gayoso, C. Ayerbe, Barion, L., Battaglieri, M., Bedlinskiy, I., Benkel, B., Bianconi, A., Biselli, A. S., Bondi, M., Bossù, F., Boiarinov, S., Brinkmann, K. T., Briscoe, W. J., Brooks, W. K., Bueltmann, S., Burkert, V. D., Capobianco, R., Carman, D. S., Carvajal, J. C., Celentano, A., Charles, G., Chatagnon, P., Chesnokov, V., Chetry, T., Ciullo, G., Clary, B., Clash, G., Cole, P. L., Contalbrigo, M., Costantini, G., Crede, V., D'Angelo, A., Dashyan, N., DeVita, R., Defurne, M., Deur, A., Dilks, C., Djalali, C., Dupre, R., Egiyan, H., Ehrhart, M., ElAlaoui, A., ElFassi, L., Fegan, S., Filippi, A., Fogler, C., Gavalian, G., Gilfoyle, G. P., Gosta, G., Girod, F. X., Glazier, D. I., Golubenko, A. A., Gothe, R. W., Guo, L., Hafidi, K., Hakobyan, H., Hattawy, M., Hauenstein, F., Hayward, T. B., Heddle, D., Hobart, A., Holtrop, M., Hung, Yu-Chun, Ilieva, Y., Ireland, D. G., Isupov, E., Jo, H. S., Johnston, R., Joosten, S., Khachatryan, M., Khanal, A., Kim, W., Klimenko, V., Kripko, A., Kuhn, S. E., Lanza, L., Leali, M., Kabir, M. L., Lee, S., Lenisa, P., Li, X., MacGregor, I . J . D., Marchand, D., Mascagna, V., McKinnon, B., Matamoros, D., Migliorati, S., Mineeva, T., Mirazita, M., Mokeev, V., Moran, P., MunozCamacho, C., Naidoo, P., Neupane, K., Nguyen, D., Niccolai, S., Niculescu, G., Osipenko, M., Ouillon, M., Pandey, P., Paolone, M., Pappalardo, L. L., Paremuzyan, R., Pasyuk, E., Paul, S. J., Phelps, W., Pilleux, N., Pokhrel, M., Poudel, J., Price, J. W., Prok, Y., Radic, A., Ramasubramanian, N., Reed, Trevor, Richards, J., Ripani, M., Ritman, J., Rossi, P., Sabatié, F., Salgado, C., Schadmand, S., Schmidt, A., Sharabian, Y. G., Shirokov, E. V., Shrestha, U., Sokhan, D., Sparveris, N., Spreafico, M., Stepanyan, S., Strakovsky, I. I., Strauch, S., Tan, J., Trotta, N., Tyson, R., Ungaro, M., Vallarino, S., Venturelli, L., Voskanyan, H., Voutier, E., Watts, D. P., Wei, X., Wishart, R., Wood, M. H., Yurov, M., Zachariou, N., Zhang, J., Ziegler, V., Zurek, M.

The new experimental measurements of beam spin asymmetry were performed for the deeply virtual exclusive $\pi^0$ production in a wide kinematic region with the photon virtualities $Q^2$ up to 8 GeV$^2$ and the Bjorken scaling variable $x_B$ in the va

Externí odkaz: http://arxiv.org/abs/2307.07874

Metabolomic Profile Alterations Associated with the SLC16A11 Risk Haplotype Following a Lifestyle Intervention in People With Prediabetes

Autor: Magdalena Sevilla-González, Maria Fernanda Garibay-Gutiérrez, Arsenio Vargas-Vázquez, Andrea Celeste Medina-García, Maria Luisa Ordoñez-Sánchez, Clary B Clish, Paloma Almeda-Valdes, Teresa Tusie-Luna

Publikováno v: Current Developments in Nutrition, Vol 8, Iss 9, Pp 104444- (2024)

Background: A risk haplotype in SLC16A11 characterized by alterations in fatty acid metabolism emerged as a genetic risk factor associated with increased susceptibility to type 2 diabetes (T2D) in Mexican population. Its role on treatment responses i

Externí odkaz: https://doaj.org/article/00026c60dbba4e9d9cf10fa8c7287ee8

Probing computational methodologies in predicting mid-infrared spectra for large polycyclic aromatic hydrocarbons

Autor: Kerkeni, Boutheïna, García-Bernete, Ismael, Rigopoulou, Dimitra, Tew, David P., Roche, Patrick F., Clary, David C.

Publikováno v: 513, 2022, 3663

We extend the prediction of vibrational spectra to large sized polycyclic aromatic hydrocarbon (PAH) molecules comprising up to \sim 1500 carbon atoms by evaluating the efficiency of several computational chemistry methodologies. We employ classical

Externí odkaz: http://arxiv.org/abs/2210.00955