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Marco Foscato

Explore the profile of Marco Foscato including associated specialties, affiliations and a list of published articles. Areas
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Articles 15
Citations 110
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Recent Articles
1.
Roy T, Pogorilyy E, Kumarananthan C, Kvitastein U, Foscato M, Tornroos K, et al.
Chem Commun (Camb) . 2024 Jun; 60(56):7148-7151. PMID: 38860653
We report the use of DOTA as a chelator for titanium. The resulting complex is fully characterised and stability studies reveal its high kinetic inertness against transmetallation and transchelation. The...
2.
Foscato M, Occhipinti G, Hopen Eliasson S, Jensen V
J Chem Inf Model . 2024 Jan; 64(2):412-424. PMID: 38247361
Methods for computational de novo design of inorganic molecules have paved the way for automated design of homogeneous catalysts. Such studies have so far relied on correlation-based prediction models as...
3.
Occhipinti G, Nascimento D, Foscato M, Fogg D, Jensen V
Chem Sci . 2022 Jun; 13(18):5107-5117. PMID: 35655574
Ruthenium-cyclic(alkyl)(amino)carbene (CAAC) catalysts, used at ppm levels, can enable dramatically higher productivities in olefin metathesis than their N-heterocyclic carbene (NHC) predecessors. A key reason is the reduced susceptibility of the...
4.
Nascimento D, Foscato M, Occhipinti G, Jensen V, Fogg D
J Am Chem Soc . 2021 Jul; 143(29):11072-11079. PMID: 34270895
Bimolecular catalyst decomposition is a fundamental, long-standing challenge in olefin metathesis. Emerging ruthenium-cyclic(alkyl)(amino)carbene (CAAC) catalysts, which enable breakthrough advances in productivity and general robustness, are now known to be extraordinarily...
5.
Nascimento D, Reim I, Foscato M, Jensen V, Fogg D
ACS Catal . 2020 Oct; 10(19):11623-11633. PMID: 33123412
Critical to advancing the uptake of olefin metathesis in leading contexts, including pharmaceutical manufacturing, is identification of highly active catalysts that resist decomposition. Amines constitute an aggressive challenge to ruthenium...
6.
Foscato M, Venkatraman V, Jensen V
J Chem Inf Model . 2019 Sep; 59(10):4077-4082. PMID: 31479254
A general-purpose software package, termed DE Novo OPTimization of In/organic Molecules (DENOPTIM), for design and virtual screening of functional molecules is described. Molecules of any element and kind, including metastable...
7.
Bailey G, Foscato M, Higman C, Day C, Jensen V, Fogg D
J Am Chem Soc . 2018 Apr; 140(22):6931-6944. PMID: 29652496
The correlation between rapid initiation and rapid decomposition in olefin metathesis is probed for a series of fast-initiating, phosphine-free Ru catalysts: the Hoveyda catalyst HII, RuCl(L)(═CHCH- o-O Pr); the Grela...
8.
Bernhardt P, Bilyj J, Brosius V, Chernyshov D, Deeth R, Foscato M, et al.
Chemistry . 2018 Jan; 24(20):5082-5085. PMID: 29315883
Model: 2015, 55, 1844], offering the first experimental validation of a functional transition-metal complex predicted by such in silico molecular design methods. Additional quantum chemical calculations offer, together with the...
9.
Bailey G, Lummiss J, Foscato M, Occhipinti G, McDonald R, Jensen V, et al.
J Am Chem Soc . 2017 Nov; 139(46):16446-16449. PMID: 29099591
Brønsted bases of widely varying strength are shown to decompose the metathesis-active Ru intermediates formed by the second-generation Hoveyda and Grubbs catalysts. Major products, in addition to propenes, are base·HCl...
10.
Engel J, Smit W, Foscato M, Occhipinti G, Tornroos K, Jensen V
J Am Chem Soc . 2017 Oct; 139(46):16609-16619. PMID: 29053923
Ruthenium-based olefin metathesis catalysts are used in laboratory-scale organic synthesis across chemistry, largely thanks to their ease of handling and functional group tolerance. In spite of this robustness, these catalysts...