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Items: 1 to 20 of 45

1.

Anion Recognition by Neutral and Cationic Iodotriazole Halogen Bonding Scaffolds.

Iribarren I, Sánchez-Sanz G, Trujillo C.

Molecules. 2020 Feb 12;25(4). pii: E798. doi: 10.3390/molecules25040798.

2.

Modulating intramolecular chalcogen bonds in aromatic (thio)(seleno)phene-based derivatives.

Trujillo C, Rozas I, Elguero J, Alkorta I, Sánchez-Sanz G.

Phys Chem Chem Phys. 2019 Nov 14;21(42):23645-23650. doi: 10.1039/c9cp03694f. Epub 2019 Oct 18.

PMID:
31625544
3.

Theoretical Investigation of Cyano-Chalcogen Dimers and Their Importance in Molecular Recognition.

Previtali V, Sánchez-Sanz G, Trujillo C.

Chemphyschem. 2019 Dec 3;20(23):3186-3194. doi: 10.1002/cphc.201900899. Epub 2019 Nov 12.

PMID:
31608563
4.

Sequestration of CO2 by Phosphatrane Molecules.

Sánchez-Sanz G, Alkorta I, Elguero J, Trujillo C.

Chemphyschem. 2019 Dec 3;20(23):3195-3200. doi: 10.1002/cphc.201900905. Epub 2019 Oct 31.

PMID:
31584237
5.

The base-catalysed Tamura cycloaddition reaction: calculation, mechanism, isolation of intermediates and asymmetric catalysis.

Lockett-Walters B, Trujillo C, Twamley B, Connon S.

Chem Commun (Camb). 2019 Sep 17;55(75):11283-11286. doi: 10.1039/c9cc05064g.

PMID:
31475708
6.

Catalytic Asymmetric γ-Lactam Synthesis from Enolisable Anhydrides and Imines.

Collar AG, Trujillo C, Lockett-Walters B, Twamley B, Connon SJ.

Chemistry. 2019 May 28;25(30):7275-7279. doi: 10.1002/chem.201901028. Epub 2019 May 2.

PMID:
31050082
7.

Highly Enantio- and Diastereoselective Catalytic Asymmetric Tamura Cycloaddition Reactions.

Collar AG, Trujillo C, Connon SJ.

Chemistry. 2019 May 28;25(30):7270-7274. doi: 10.1002/chem.201900119. Epub 2019 May 2.

PMID:
31050071
8.

Understanding Regium Bonds and their Competition with Hydrogen Bonds in Au2 :HX Complexes.

Sánchez-Sanz G, Trujillo C, Alkorta I, Elguero J.

Chemphyschem. 2019 Jun 17;20(12):1572-1580. doi: 10.1002/cphc.201900354. Epub 2019 May 13.

PMID:
30974036
9.

Cyclohexane-Based Scaffold Molecules Acting as Anion Transport, Anionophores, via Noncovalent Interactions.

Sánchez-Sanz G, Trujillo C.

J Chem Inf Model. 2019 May 28;59(5):2212-2217. doi: 10.1021/acs.jcim.9b00154. Epub 2019 Apr 3.

PMID:
30908020
10.

Planarity or Nonplanarity: Modulating Guanidine Derivatives as α2-Adrenoceptors Ligands.

Trujillo C, Flood A, Sánchez-Sanz G, Twamley B, Rozas I.

J Chem Inf Model. 2019 May 28;59(5):2479-2486. doi: 10.1021/acs.jcim.9b00140. Epub 2019 Mar 27.

PMID:
30879296
11.

Cooperative Effects in Weak Interactions: Enhancement of Tetrel Bonds by Intramolecular Hydrogen Bonds.

Trujillo C, Alkorta I, Elguero J, Sánchez-Sanz G.

Molecules. 2019 Jan 16;24(2). pii: E308. doi: 10.3390/molecules24020308.

12.

Catalytic Asymmetric Cycloadditions between Aldehydes and Enolizable Anhydrides: cis-Selective Dihydroisocoumarin Formation.

Aiello ML, Farid U, Trujillo C, Twamley B, Connon SJ.

J Org Chem. 2018 Dec 21;83(24):15499-15511. doi: 10.1021/acs.joc.8b02332. Epub 2018 Dec 10.

PMID:
30461274
13.

Effect of isouronium/guanidinium substitution on the efficacy of a series of novel anti-cancer agents.

Previtali V, Trujillo C, Amet R, Zisterer DM, Rozas I.

Medchemcomm. 2018 Mar 27;9(4):735-743. doi: 10.1039/c8md00089a. eCollection 2018 Apr 1.

14.

Study of Meldrum's Acid Cyclization Reactions.

Trujillo C, Goya P, Rozas I.

J Phys Chem A. 2018 Mar 8;122(9):2535-2541. doi: 10.1021/acs.jpca.7b11818. Epub 2018 Feb 27.

PMID:
29465244
15.

Improvement of Anion Transport Systems by Modulation of Chalcogen Interactions: The influence of solvent.

Sánchez-Sanz G, Trujillo C.

J Phys Chem A. 2018 Feb 8;122(5):1369-1377. doi: 10.1021/acs.jpca.7b10920. Epub 2018 Jan 26.

PMID:
29320198
16.

Development of the first model of a phosphorylated, ATP/Mg2+-containing B-Raf monomer by molecular dynamics simulations: a tool for structure-based design.

Previtali V, Trujillo C, Boisson JC, Khartabil H, Hénon E, Rozas I.

Phys Chem Chem Phys. 2017 Nov 29;19(46):31177-31185. doi: 10.1039/c7cp05038k.

PMID:
29139502
17.

Enhancing Intramolecular Chalcogen Interactions in 1-Hydroxy-8-YH-naphthalene Derivatives.

Sánchez-Sanz G, Trujillo C, Alkorta I, Elguero J.

J Phys Chem A. 2017 Nov 22;121(46):8995-9003. doi: 10.1021/acs.jpca.7b09678. Epub 2017 Nov 10.

PMID:
29094935
18.

A DFT mechanistic study of the organocatalytic asymmetric reaction of aldehydes and homophthalic anhydride.

Trujillo C, Rozas I, Botte A, Connon SJ.

Chem Commun (Camb). 2017 Aug 3;53(63):8874-8877. doi: 10.1039/c7cc04596d.

PMID:
28737812
19.

Modulation of in:out and out:out conformations in [X.X'.X''] phosphatranes by Lewis acids.

Sánchez-Sanz G, Trujillo C, Alkorta I, Elguero J.

Phys Chem Chem Phys. 2017 Aug 9;19(31):20647-20656. doi: 10.1039/c7cp03661b.

PMID:
28737804
20.

Thiophene/thiazole-benzene replacement on guanidine derivatives targeting α2-Adrenoceptors.

Flood A, Trujillo C, Sanchez-Sanz G, Kelly B, Muguruza C, Callado LF, Rozas I.

Eur J Med Chem. 2017 Sep 29;138:38-50. doi: 10.1016/j.ejmech.2017.06.008. Epub 2017 Jun 6.

PMID:
28644987

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