Zobrazeno 1 - 10
of 47
pro vyhledávání: '"Ignacio Funes-Ardoiz"'
Publikováno v:
Artificial Intelligence Chemistry, Vol 2, Iss 1, Pp 100068- (2024)
Machine Learning (ML) stands as a disruptive technology, finding application across a diverse array of scientific disciplines. When applied to homogeneous catalysis, this technology accelerates catalyst discovery through virtual screening, which not
Externí odkaz:
https://doaj.org/article/8bc457912e4a486eb79301982bed6d34
Autor:
Qinglong Shi, Meichen Xu, Rui Chang, Devenderan Ramanathan, Beatriz Peñin, Ignacio Funes-Ardoiz, Juntao Ye
Publikováno v:
Nature Communications, Vol 13, Iss 1, Pp 1-9 (2022)
Catalytic asymmetric deuterations rely largely on two-electron reaction manifolds and are mostly limited to benzylic positions. Here, a metal-free platform using peptide- or sugar-derived chiral thiols and deuterium oxide allows for asymmetric open-s
Externí odkaz:
https://doaj.org/article/01f36a74b4784a80a4e726fdc7964eed
Publikováno v:
International Journal of Molecular Sciences, Vol 24, Iss 11, p 9145 (2023)
Photoredox catalysis has emerged as an alternative to classical cross-coupling reactions, promoting new reactivities. Recently, the use of widely abundant alcohols and aryl bromides as coupling reagents was demonstrated to promote efficient coupling
Externí odkaz:
https://doaj.org/article/1df6b1c686e143b58601f8d614f1b198
Publikováno v:
Inorganics, Vol 7, Iss 3, p 32 (2019)
The presence of single-electron transfer (SET) steps in water oxidation processes catalyzed by first-row transition metal complexes has been recently recognized, but the computational characterization of this type of process is not trivial. We report
Externí odkaz:
https://doaj.org/article/b92d590b75b34be6bfc711ee39e1f3a1
Autor:
Jingyang Qin, Manuel Barday, Samikshan Jana, Nil Sanosa, Ignacio Funes-Ardoiz, Christopher Teskey
The development of methods to form C–C bonds from readily-available starting materials is essential in driving innovation of functional molecules. In this context, hydrofunctionalisation of feedstock alkenes via catalytic hydrogen atom transfer fro
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0af9eba642503ee5fbc8d6fa9e5a3fb2
https://doi.org/10.26434/chemrxiv-2023-3rshq
https://doi.org/10.26434/chemrxiv-2023-3rshq
Publikováno v:
Chemistry – A European Journal.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b64614ae7e1a168f653318f38067501c
https://doi.org/10.1002/chem.202301406
https://doi.org/10.1002/chem.202301406
Publikováno v:
Science. 376:749-753
Substituted six-membered cyclic hydrocarbons are common constituents of biologically active compounds. Although methods for the synthesis of thermodynamically favored, disubstituted cyclohexanes are well established, a reliable and modular protocol f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d269924409601de182b8086c0198d64d
https://doi.org/10.1126/science.abn9124
https://doi.org/10.1126/science.abn9124
Autor:
Khadijah Anwar, Francisco José Aguilar Troyano, Ayham H. Abazid, Oumayma El Yarroudi, Ignacio Funes-Ardoiz, Adrián Gómez-Suárez
Exploration of three-dimensional structural space has become crucial for the development of novel bioactive molecules. In this context, polar spirocycles have emerged as key scaffolds due to their enhanced 3D character and well-defined spatial orient
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7f8f8645622cd5d424346ce093d69d64
https://doi.org/10.26434/chemrxiv-2023-5jx42
https://doi.org/10.26434/chemrxiv-2023-5jx42
Publikováno v:
Chem. 6:1904-1913
Summary Computational chemistry has emerged as a powerful tool to gain insight on the molecular details of complex catalytic mechanisms—to uncover novel catalysis concepts or assist in the rational design of catalytic reactivities. Here, we summari
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c3e971711176eb94225434f37a7e8ba1
https://doi.org/10.1016/j.chempr.2020.07.008
https://doi.org/10.1016/j.chempr.2020.07.008
Autor:
Thomas J. Farmer, Yann Lie, Ignacio Funes-Ardoiz, Diego Sampedro, Alessandro Pellis, Duncan J. Macquarrie
Publikováno v:
Lie, Y, Pellis, A, Funes-ardoiz, I, Sampedro, D, Macquarrie, D J & Farmer, T J 2020, ' Work-hardening Photopolymer from Renewable Photoactive 3,3’-(2,5-Furandiyl)bisacrylic Acid ', ChemSusChem, vol. 13, no. 16, pp. 4140-4150 . https://doi.org/10.1002/cssc.v13.16
ChemSusChem : chemistry & sustainability, energy & materials 13(16), 4140-4150 (2020). doi:10.1002/cssc.202000842
Chemsuschem
ChemSusChem : chemistry & sustainability, energy & materials 13(16), 4140-4150 (2020). doi:10.1002/cssc.202000842
Chemsuschem
The design of a photopolymer around a renewable furan‐derived chromophore is presented herein. An optimised semi‐continuous oxidation method using MnO2 affords 2,5‐diformylfuran from 5‐(hydroxymethyl)furfural in gram quantities, allowing the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::14be93b5ffa24e8da3071021ca2ea4eb
https://doi.org/10.1002/cssc.202000842
https://doi.org/10.1002/cssc.202000842