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Items: 1 to 20 of 68

1.

Enhanced Metallophilicity in Metal-Carbene Systems: Stronger Character of Aurophilic Interactions in Solution.

Vellé A, Rodríguez-Santiago L, Sodupe M, Sanz Miguel PJ.

Chemistry. 2019 Nov 14. doi: 10.1002/chem.201904507. [Epub ahead of print]

PMID:
31729079
2.

Water Adsorption on MO2 (M = Ti, Ru, and Ir) Surfaces. Importance of Octahedral Distortion and Cooperative Effects.

González D, Heras-Domingo J, Pantaleone S, Rimola A, Rodríguez-Santiago L, Solans-Monfort X, Sodupe M.

ACS Omega. 2019 Feb 11;4(2):2989-2999. doi: 10.1021/acsomega.8b03350. eCollection 2019 Feb 28.

3.

Role of Mineral Surfaces in Prebiotic Chemical Evolution. In Silico Quantum Mechanical Studies.

Rimola A, Sodupe M, Ugliengo P.

Life (Basel). 2019 Jan 17;9(1). pii: E10. doi: 10.3390/life9010010. Review.

4.

Activating a Peroxo Ligand for C-O Bond Formation.

Del Río MP, Abril P, López JA, Sodupe M, Lledós A, Ciriano MA, Tejel C.

Angew Chem Int Ed Engl. 2019 Mar 4;58(10):3037-3041. doi: 10.1002/anie.201808840. Epub 2019 Jan 16.

PMID:
30589172
5.

Small molecule inhibits α-synuclein aggregation, disrupts amyloid fibrils, and prevents degeneration of dopaminergic neurons.

Pujols J, Peña-Díaz S, Lázaro DF, Peccati F, Pinheiro F, González D, Carija A, Navarro S, Conde-Giménez M, García J, Guardiola S, Giralt E, Salvatella X, Sancho J, Sodupe M, Outeiro TF, Dalfó E, Ventura S.

Proc Natl Acad Sci U S A. 2018 Oct 9;115(41):10481-10486. doi: 10.1073/pnas.1804198115. Epub 2018 Sep 24.

6.

Formamide Adsorption at the Amorphous Silica Surface: A Combined Experimental and Computational Approach.

Signorile M, Salvini C, Zamirri L, Bonino F, Martra G, Sodupe M, Ugliengo P.

Life (Basel). 2018 Sep 23;8(4). pii: E42. doi: 10.3390/life8040042.

7.

When the Surface Matters: Prebiotic Peptide-Bond Formation on the TiO2 (101) Anatase Surface through Periodic DFT-D2 Simulations.

Pantaleone S, Ugliengo P, Sodupe M, Rimola A.

Chemistry. 2018 Nov 2;24(61):16292-16301. doi: 10.1002/chem.201803263. Epub 2018 Oct 24.

PMID:
30212609
8.

Intramolecular Photocycloaddition of 2(5 H)-Furanones to Temporarily Tethered Terminal Alkenes as a Stereoselective Source of Enantiomerically Pure Polyfunctionalyzed Cyclobutanes.

Xin Y, Rodríguez-Santiago L, Sodupe M, Álvarez-Larena A, Busqué F, Alibés R.

J Org Chem. 2018 Mar 16;83(6):3188-3199. doi: 10.1021/acs.joc.8b00088. Epub 2018 Mar 1.

PMID:
29461058
9.

Fluorous l-Carbidopa Precursors: Highly Enantioselective Synthesis and Computational Prediction of Bioactivity.

Granados A, Olmo AD, Peccati F, Billard T, Sodupe M, Vallribera A.

J Org Chem. 2018 Jan 5;83(1):303-313. doi: 10.1021/acs.joc.7b02685. Epub 2017 Dec 21.

PMID:
29200295
10.

Drastic Effect of the Peptide Sequence on the Copper-Binding Properties of Tripeptides and the Electrochemical Behaviour of Their Copper(II) Complexes.

Mena S, Mirats A, Caballero AB, Guirado G, Barrios LA, Teat SJ, Rodriguez-Santiago L, Sodupe M, Gamez P.

Chemistry. 2018 Apr 6;24(20):5153-5162. doi: 10.1002/chem.201704623. Epub 2018 Jan 11.

PMID:
29194825
11.

Elucidating the 3D structures of Al(iii)-Aβ complexes: a template free strategy based on the pre-organization hypothesis.

Mujika JI, Rodríguez-Guerra Pedregal J, Lopez X, Ugalde JM, Rodríguez-Santiago L, Sodupe M, Maréchal JD.

Chem Sci. 2017 Jul 1;8(7):5041-5049. doi: 10.1039/c7sc01296a. Epub 2017 May 9.

12.

Binding of Thioflavin T and Related Probes to Polymorphic Models of Amyloid-β Fibrils.

Peccati F, Pantaleone S, Riffet V, Solans-Monfort X, Contreras-García J, Guallar V, Sodupe M.

J Phys Chem B. 2017 Sep 28;121(38):8926-8934. doi: 10.1021/acs.jpcb.7b06675. Epub 2017 Sep 14.

PMID:
28851223
13.

Visible-Light Photocatalytic Intramolecular Cyclopropane Ring Expansion.

Luis-Barrera J, Laina-Martín V, Rigotti T, Peccati F, Solans-Monfort X, Sodupe M, Mas-Ballesté R, Liras M, Alemán J.

Angew Chem Int Ed Engl. 2017 Jun 26;56(27):7826-7830. doi: 10.1002/anie.201703334. Epub 2017 Jun 6.

14.

Enhanced photocatalytic activity of gold nanoparticles driven by supramolecular host-guest chemistry.

Padilla M, Peccati F, Bourdelande JL, Solans-Monfort X, Guirado G, Sodupe M, Hernando J.

Chem Commun (Camb). 2017 Feb 9;53(13):2126-2129. doi: 10.1039/c6cc09600j.

PMID:
28133661
15.

Multiple Condensation Reactions Involving Pt(II) /Pd(II) -OH2 , Pt-NH3 , and Cytosine-NH2 Groups: New Twists in Cisplatin-Nucleobase Chemistry.

Yin-Bandur L, Sanz Miguel PJ, Rodríguez-Santiago L, Sodupe M, Berghaus M, Lippert B.

Chemistry. 2016 Sep 12;22(38):13653-68. doi: 10.1002/chem.201602244. Epub 2016 Aug 12.

PMID:
27516223
16.

Computational study on donor-acceptor optical markers for Alzheimer's disease: a game of charge transfer and electron delocalization.

Peccati F, Wiśniewska M, Solans-Monfort X, Sodupe M.

Phys Chem Chem Phys. 2016 Apr 28;18(17):11634-43. doi: 10.1039/c5cp07274c.

PMID:
26817795
17.

Dioxygen activation in the Cu-amyloid β complex.

Mirats A, Alí-Torres J, Rodríguez-Santiago L, Sodupe M, La Penna G.

Phys Chem Chem Phys. 2015 Nov 7;17(41):27270-4. doi: 10.1039/c5cp04025f.

PMID:
26427541
18.

Disaggregation-induced fluorescence enhancement of NIAD-4 for the optical imaging of amyloid-β fibrils.

Peccati F, Hernando J, Blancafort L, Solans-Monfort X, Sodupe M.

Phys Chem Chem Phys. 2015 Aug 14;17(30):19718-25. doi: 10.1039/c5cp02728d.

PMID:
26123993
19.

Coordination properties of a metal chelator clioquinol to Zn(2+) studied by static DFT and ab initio molecular dynamics.

Rodríguez-Santiago L, Alí-Torres J, Vidossich P, Sodupe M.

Phys Chem Chem Phys. 2015 May 28;17(20):13582-9. doi: 10.1039/c5cp01615k.

PMID:
25939963
20.

Interstellar H adsorption and H₂ formation on the crystalline (010) forsterite surface: a B3LYP-D2* periodic study.

Navarro-Ruiz J, Sodupe M, Ugliengo P, Rimola A.

Phys Chem Chem Phys. 2014 Sep 7;16(33):17447-57. doi: 10.1039/c4cp00819g.

PMID:
24781059

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