Observation of current-induced switching in non-collinear antiferromagnetic IrMn3 by differential voltage measurements

Autor: Sevdenur Arpaci, Victor Lopez-Dominguez, Jiacheng Shi, Luis Sánchez-Tejerina, Francesca Garesci, Chulin Wang, Xueting Yan, Vinod K. Sangwan, Matthew A. Grayson, Mark C. Hersam, Giovanni Finocchio, Pedram Khalili Amiri

Publikováno v: Nature Communications, Vol 12, Iss 1, Pp 1-10 (2021)

Anti-ferromagnetic based memories have a wide range of advantages over their ferromagnetic counterparts, however, their electrical signatures of switching are complicated by spurious signals. Here, Arpaci et al demonstrate an experimental method to d

Externí odkaz: https://doaj.org/article/7962adb64f1b4c0aacee238c2f42e02a

Eliminating Transition State Calculations for Faster and More Accurate Reactivity Prediction in Sulfa-Michael Additions Relevant to Human Health and the Environment

Autor: Matthew N. Grayson, Piers A. Townsend, Elliot Farrar

Publikováno v: Townsend, P, Farrar, E & Grayson, M 2022, ' Eliminating Transition State Calculations for Faster and More Accurate Reactivity Prediction in Sulfa-Michael Additions Relevant to Human Health and the Environment ', ACS OMEGA, vol. 7, no. 30, pp. 26945–26951 . https://doi.org/10.1021/acsomega.2c03739

Fast and accurate computational approaches to predicting reactivity in sulfa-Michael additions are required for high-throughput screening in toxicology (e.g., predicting excess aquatic toxicity and skin sensitization), chemical synthesis, covalent dr

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::458fc7d0f36df3dd27f96fe96efa8a53
https://doi.org/10.1021/acsomega.2c03739

Heteroatom-Tethered ω-Alkenylallylboronates: Stereoselective Synthesis of Heterocyclic Derived Alcohols

Autor: Pablo Barrio, Francisco Garnes-Portolés, Rubén Miguélez, Matthew N. Grayson

Publikováno v: Garnes-Portolés, F, Miguélez, R, Grayson, M N & Barrio, P 2022, ' Heteroatom-Tethered ω-Alkenylallylboronates: Stereoselective Synthesis of Heterocyclic Derived Alcohols ', Synthesis, vol. 54, no. 17, pp. 3817-3822 . https://doi.org/10.1055/s-0040-1719890

The synthesis of ω-alkenylallylboronates using a heteroatom tether to join both functional groups is described for the first time. Then, these unprecedented compounds were used in a tandem Brønsted acid catalyzed allylboration/ring-closing metathes

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1b1272fa4c07f6b2d4925e593f851f44
https://doi.org/10.1055/s-0040-1719890

Machine learning and semi-empirical calculations: a synergistic approach to rapid, accurate, and mechanism-based reaction barrier prediction

Autor: Matthew N. Grayson, Elliot Farrar

Publikováno v: Farrar, E H E & Grayson, M N 2022, ' Machine learning and semi-empirical calculations: a synergistic approach to rapid, accurate, and mechanism-based reaction barrier prediction ', Chemical Science, vol. 13, no. 25, pp. 7594-7603 . https://doi.org/10.1039/D2SC02925A

Modern QM modelling methods, such as DFT, have provided detailed mechanistic insights into countless reactions. However, their computational cost inhibits their ability to rapidly screen large numbers of substrates and catalysts in reaction discovery

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::020b7931dd45a405d15e96b8b2614ec7
https://doi.org/10.1039/d2sc02925a

Photochemical Fingerprinting Is a Sensitive Probe for the Detection of Synthetic Cannabinoid Receptor Agonists; toward Robust Point-of-Care Detection

Autor: Rachael C. Andrews, Benedict May, Federico J. Hernández, Gyles E. Cozier, Piers A. Townsend, Oliver B. Sutcliffe, Tom S. F. Haines, Tom P. Freeman, Jennifer Scott, Stephen M. Husbands, Ian S. Blagbrough, Richard W. Bowman, Simon E. Lewis, Matthew N. Grayson, Rachel Crespo-Otero, David R. Carbery, Christopher R. Pudney

Publikováno v: Andrews, R, May, B, Hernández, F J, Townsend, P, Cozier, G, Sutcliffe, O B, Haines, T S F, Freeman, T, Scott, J, Husbands, S, Blagbrough, I, Bowman, R, Lewis, S, Grayson, M, Crespo-Otero, R, Carbery, D & Pudney, C 2023, ' Photochemical Fingerprinting Is a Sensitive Probe for the Detection of Synthetic Cannabinoid Receptor Agonists; Toward Robust Point-of-Care Detection ', Analytical Chemistry, vol. 95, no. 2, pp. 703-713 . https://doi.org/10.1021/acs.analchem.2c02529

With synthetic cannabinoid receptor agonist (SCRA) use still prevalent across Europe and structurally advanced generations emerging, it is imperative that drug detection methods advance in parallel. SCRAs are a chemically diverse and evolving group,

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::dfb29a0a735fdb72df53a08ddda7c2b1
https://pubmed.ncbi.nlm.nih.gov/36599091