M. Barceló-Oliver

发表

Experimental and theoretical study of thymine and cytosine derivatives: the crucial role of weak noncovalent interactions

E. Molins, A. Frontera, A. Bauzá, 2012 .

Experimental and theoretical study of uracil derivatives: the crucial role of weak fluorine–fluorine noncovalent interactions

D. Quiñonero, E. Molins, C. Estarellas, 2010 .

Ruthenium(III) and iridium(III) complexes with nicotine

E. Molins, V. Moreno, M. Prieto, 2010 .

Energetically significant nitrile⋯nitrile and unconventional C–H⋯π(nitrile) interactions in pyridine based Ni(II) and Zn(II) coordination compounds: Antiproliferative evaluation and theoretical studies

A. Frontera, A. Verma, Sahid Hussain, 2021, Journal of Molecular Structure.

Ternary copper(II) complexes with hippurate derivatives and 1,10-phenanthroline: Synthesis and biological activity

P. Escribá, E. Molins, V. Moreno, 2009 .

A Combined Experimental and Theoretical Study of Anion–π Interactions in Bis(pyrimidine) Salts

D. Quiñonero, E. Molins, A. Frontera, 2007 .

Ternary complexes metal [Co(II), Ni(II), Cu(II) and Zn(II)]--ortho-iodohippurate (I-hip)--acyclovir. X-ray characterization of isostructural [(Co, Ni or Zn)(I-hip)(2)(ACV)(H(2)O)(3)] with stacking as a recognition factor.

E. Molins, M. Barceló-Oliver, A. García-Raso, 2004, Journal of inorganic biochemistry.

Anion−π Interactions in Bisadenine Derivatives: A Combined Crystallographic and Theoretical Study

E. Molins, A. Frontera, D. Escudero, 2007 .

Supramolecular Assemblies involving Unconventional Non-Covalent contacts in Pyrazole-Based Coordination Compounds of Co(II) and Cu(II) Pyridinedicarboxylates: Antiproliferative Evaluation and Theoretical Studies

A. Frontera, A. Verma, Debasish Dutta, 2022, Polyhedron.

Supramolecular Assemblies involving Energetically Significant Unconventional π(CN)-π and Anion-π(nitrile) Contacts in Zn(II) Coordination Compounds: Antiproliferative Evaluation and Theoretical Studies

A. Frontera, A. Verma, Debasish Dutta, 2022, Journal of Molecular Structure.

RNAs' uracil quartet model with a non-essential metal ion.

C. Estarellas, A. Frontera, M. Barceló-Oliver, 2011, Chemical communications.

Ruthenium(III) complexes with modified nucleobases: N6-Substituted adenines

E. Molins, V. Moreno, M. Prieto, 2008 .

Metallomacrocycles as anion receptors: combining hydrogen bonding and ion pair based hosts formed from Ag(I) salts and flexible bis- and tris-pyrimidine ligands.

E. Molins, A. Frontera, A. Bauzá, 2013, Chemical communications.

Uracilato and 5-halouracilato complexes of Cu(II), Zn(II) and Ni(II). X-ray structures of [Cu(uracilato-N1)2(NH3)2] · 2(H2O), [Cu(5-chlorouracilato-N1)2(NH3)2](H2O)2, [Ni(5-chlorouracilato-N1)2(en)2] · 2H2O and [Zn(5-chlorouracilato-N1)(NH3)3] · (5-chlorouracilato-N1) · (H2O) ☆

E. Molins, M. Barceló-Oliver, A. García-Raso, 2004 .

Dicarboxylic Acid-Based Co-Crystals of Pyridine Derivatives Involving Structure Guiding Unconventional Synthons: Experimental and Theoretical Studies

A. Frontera, Pranay Sharma, M. Barceló-Oliver, 2022, Crystals.

Use of metalloligands [CuL] (H2L = salen type di-Schiff bases) in the formation of heterobimetallic copper(II)-uranyl complexes: photophysical investigations, structural variations, and theoretical calculations.

A. Frontera, A. Bauzá, Ashutosh Ghosh, 2013, Inorganic chemistry.

Triple-bridged ferromagnetic nickel(II) complexes: a combined experimental and theoretical DFT study on stabilization and magnetic coupling.

A. Frontera, A. Bauzá, Ashutosh Ghosh, 2014, Dalton transactions.

Nuclearity versus oxidation state in the catalytic efficiency of MnII/III azo Schiff base complexes: computational study on supramolecular interactions and phenoxazinone synthase-like activity

Saikat Banerjee, P. Brandão, A. Saha, 2017 .

Energetically significant unconventional O H⋯π contacts involving discrete guest (H2O)8 clusters in a fumarato bridged polymeric supramolecular host of Ni(II) phenanthroline: Antiproliferative evaluation and theoretical studies

A. Frontera, A. Verma, A. Das, 2020 .

Biological recognition patterns implicated by the formation and stability of ternary metal ion complexes of low-molecular-weight formed with amino acid/peptides and nucleobases/nucleosides

V. Moreno, M. Barceló-Oliver, A. García-Raso, 2007 .

Enclathration of Mn(II)(H2O)6 Guests and Unusual Cu⋯O bonding Contacts in Supramolecular Assemblies of Mn(II) Co-crystal Hydrate and Cu(II) Pyridinedicarboxylate: Antiproliferative Evaluation and Theoretical Studies

A. Frontera, A. Verma, M. Barceló-Oliver, 2022, Polyhedron.

Charge Assisted Hydrogen Bonded Assemblies and Unconventional O∙∙∙O Dichalcogen Bonding Interactions in Pyrazole-Based Isostructural Ni(II) and Mn(II) Compounds involving Anthraquinone Disulfonate: Antiproliferative Evaluation and Theoretical Studies

A. Frontera, A. Verma, Pranay Sharma, 2021, Journal of Molecular Structure.

Benzoato bridged dinuclear Mn(II) and Cu(II) compounds involving guest chlorobenzoates and dimeric paddle wheel supramolecular assemblies: Antiproliferative evaluation and theoretical studies

A. Frontera, A. Verma, Debasish Dutta, 2021 .

Biologically relevant unusual cooperative assemblies and fascinating infinite crown-like supramolecular nitrate–water hosts involving guest complex cations in bipyridine and phenanthroline-based Cu(ii) coordination compounds: antiproliferative evaluation and theoretical studies

A. Frontera, A. Verma, Sahid Hussain, 2021 .

Supramolecular assemblies involving biologically relevant antiparallel π-stacking and unconventional solvent driven structural topology in maleato and fumarato bridged Zn(ii) coordination polymers: antiproliferative evaluation and theoretical studies

A. Frontera, A. Verma, Sahid Hussain, 2021 .

Intermolecular C-H...pi interactions in 1,5-diphenyl-3-(2-pyridyl)-2-pyrazoline.

I. Turel, M. Barceló-Oliver, A. García-Raso, 2010, Acta crystallographica. Section C, Crystal structure communications.

Rationalization of noncovalent interactions within six new MII/8-aminoquinoline supramolecular complexes (MII = Mn, Cu, and Cd): A combined experimental and theoretical DFT study

J. Mague, P. Ballester, M. Mirzaei, 2015 .

New Chlorido(dimethyl sulfoxide)iridium(III) Complexes with N6‐Substituted Adenines – Kinetic N(7) versus Thermodynamic N(9) Coordinated Adenine Isomers

D. Quiñonero, E. Molins, C. Estarellas, 2010 .

Models for thyroxine: Aromatic iodine-assisted self-assemblies

E. Molins, M. Barceló-Oliver, A. García-Raso, 2007 .

Crystal structures and DFT calculations of new chlorido-dimethylsulfoxide-M(III) (M = Ir, Ru, Rh) complexes with the N-pyrazolyl pyrimidine donor ligand: kinetic vs. thermodynamic isomers.

P. Ballester, E. Molins, F. Hussain, 2014, Dalton transactions.

Iridium(III) coordination of N(6) modified adenine derivatives with aminoacid chains.

J. Lorenzo, A. Frontera, J. Ortega-Castro, 2020, Journal of inorganic biochemistry.

Syntheses, structures, properties and DFT study of hybrid inorganic-organic architectures constructed from trinuclear lanthanide frameworks and Keggin-type polyoxometalates.

M. Mirzaei, A. Salimi, A. Frontera, 2014, Dalton transactions.

Modified-amino acid/peptide pyrimidine analogs: Synthesis, structural characterization and DFT study of N-(pyrimidyl) gabapentine and N-(pyrimidyl)baclofen

A. Frontera, M. Barceló-Oliver, A. García-Raso, 2021, New Journal of Chemistry.

Energetically significant cooperative π-stacked ternary assemblies in Ni(II) phenanthroline compounds involving discrete water clusters: Anticancer activities and theoretical studies

A. Frontera, A. Verma, B. Sarma, 2020 .

Solvent driven structural topologies involving unconventional O H(methanol)⋯π contact and anti-cooperative HB⋯anion-π⋯HB assemblies with unusual enclathration of dual guest (H2O)4 cores in Mn(II) and Ni(II) coordination compounds: Antiproliferative evaluation and theoretical studies

A. Frontera, A. Verma, Debasish Dutta, 2021, Polyhedron.

Synthesis and mass spectroscopy kinetics of a novel ternary copper(II) complex with cytotoxic activity against cancer cells.

P. Escribá, E. Molins, V. Moreno, 2007, Journal of inorganic biochemistry.

1-Ethyluracil, a New Scaffold for Preparing Multicomponent Forms: Synthesis, Characterization, and Computational Studies

E. Molins, A. Frontera, M. Barceló-Oliver, 2021, Crystal Growth & Design.

Cu(II)–N6-Alkyladenine Complexes: Synthesis, X-ray Characterization and Magnetic Properties

E. Molins, A. Frontera, A. Bauzá, 2018 .

Adipato bridged novel hexanuclear Cu(ii) and polymeric Co(ii) coordination compounds involving cooperative supramolecular assemblies and encapsulated guest water clusters in a square grid host: antiproliferative evaluation and theoretical studies.

A. Frontera, A. Verma, Pranay Sharma, 2020, Dalton transactions.

Molecular architecture by means of interactions between Ag(I) and glycine derivatives

E. Molins, M. Barceló-Oliver, A. García-Raso, 2006 .

Unconventional enclathration of guest adipic acid and energetically significant antiparallel π-stacked ternary assemblies involving unusual regium-π(chelate) contacts in phenanthroline-based Ni(II) and Cu(II) compounds—Antiproliferative evaluation and theoretical studies

A. Frontera, A. Verma, Kasturi Dutta, 2021 .

Phenanthroline-based Ni(II) coordination compounds involving unconventional discrete fumarate-water-nitrate clusters and energetically significant cooperative ternary π-stacked assemblies: Antiproliferative evaluation and theoretical studies

A. Frontera, A. Verma, Pranay Sharma, 2022, Journal of Molecular Structure.

On the importance of antiparallel C O⋯C–F interactions in N 1 -(3-hydroxypropyl)-5-fluorouracilate–Hg(II) complex: A combined X-ray and DFT study

A. Frontera, A. Bauzá, M. Barceló-Oliver, 2016 .

2-Aminopyrimidine Derivatives Exhibiting Anion-π Interactions: A Combined Crystallographic and Theoretical Study

D. Quiñonero, E. Molins, C. Estarellas, 2009 .

Adenine as a Halogen Bond Acceptor: A Combined Experimental and DFT Study

E. Molins, A. Frontera, M. Barceló-Oliver, 2019, Crystals.

Silver(I)-mediated base pairing in DNA involving the artificial nucleobase 7,8-dihydro-8-oxo-1,N6-ethenoadenine.

T. Zatsepin, V. Tsvetkov, Jens Müller, 2021, Journal of inorganic biochemistry.

9-Ethyladenine: Mechanochemical Synthesis, Characterization, and DFT Calculations of Novel Cocrystals and Salts

E. Molins, A. Frontera, M. Barceló-Oliver, 2020 .

Crystal structures of N6-modified-amino acid nucleobase analogs(iii): adenine–valeric acid, adenine–hexanoic acid and adenine–gabapentine

A. Frontera, M. Barceló-Oliver, A. García-Raso, 2020 .

Scientific Activities for the Engagement of Undergraduate Students in the Separation and Recycling of Waste

Manuel Miró, Miquel Barceló-Oliver, Carlos Palomino Cabello, 2020 .

Structural characterization, recognition patterns and theoretical calculations of long-chain N-alkyl substituted purine and pyrimidine bases as ligands: On the importance of anion–π interactions

A. Frontera, M. Barceló-Oliver, A. García-Raso, 2013 .

Experimental and theoretical study of N1-hexylcytosine and N1-hexylcytosinium nitrate: the crucial role of hydrophobic and anion–π interactions

E. Molins, A. Frontera, A. Bauzá, 2013 .

Synthesis, reactivity, X-ray characterization and docking studies of N7/N9-(2-pyrimidyl)-adenine derivatives.

E. Molins, A. Frontera, J. Ortega-Castro, 2020, Journal of inorganic biochemistry.

X-ray Crystal Structure of a Metalled Double-Helix Generated by Infinite and Consecutive C*-AgI -C* (C*:N1 -Hexylcytosine) Base Pairs through Argentophilic and Hydrogen Bond Interactions.

E. Molins, A. Frontera, A. Bauzá, 2017, Chemistry.

Unconventional π-hole and Semi-coordination regium bonding interactions directed supramolecular assemblies in pyridinedicarboxylato bridged polymeric Cu(II) Compounds: Antiproliferative evaluation and theoretical studies

A. Frontera, A. Verma, Pranay Sharma, 2021 .

New chloride-dimethylsulfoxide-iridium(III) complex with histaminium

E. Molins, A. Frontera, A. Bauzá, 2015 .

Deciphering the H-Bonding Preference on Nucleoside Molecular Recognition through Model Copper(II) Compounds

M. Barceló-Oliver, A. Castiñeiras, I. Velo-Gala, 2021, Pharmaceuticals.

Cooperative Ternary Assemblies Involving Anion–π/π–π/Anion–π Assemblies and Unconventional Cl⋯Cl Interactions in Cu(II) Coordination Compounds: Experimental and Theoretical Studies

A. Frontera, M. Barceló-Oliver, R. Gomila, 2023, Crystals.

Structural Topologies involving Energetically Significant antiparallel π-stacking and Unconventional N(nitrile)∙∙∙π(fumarate) Contacts in Dinuclear Zn(II) and Polymeric Mn(II) Compounds: Antiproliferative Evaluation and Theoretical Studies

A. Frontera, A. Verma, Pranay Sharma, 2022, New Journal of Chemistry.

Uracil Derivatives for Halogen-Bonded Cocrystals

E. Molins, A. Frontera, M. Barceló-Oliver, 2021, International journal of molecular sciences.

On the Importance of H-Bonding Interactions in the Enclathration of Boric Acids in Na(I) Polymers: Experimental and Theoretical Studies

A. Frontera, M. Barceló-Oliver, R. Gomila, 2023, Crystals.

Structure Guiding Supramolecular Assemblies in Metal-Organic Multi-Component Compounds of Mn(II): Experimental and Theoretical Studies

A. Frontera, Pranay Sharma, M. Barceló-Oliver, 2023, Crystals.

Unconventional Dual Donor-Acceptor Topologies of Aromatic Rings in Amine-Based Polymeric Tetrahedral Zn(II) Compounds Involving Unusual Non-Covalent Contacts: Antiproliferative Evaluation and Theoretical Studies

D. Dutta, A. Frontera, A. Verma, 2023, Crystals.

CH vs. HC—Promiscuous Metal Sponges in Antimicrobial Peptides and Metallophores

H. Kozłowski, M. Rowińska-Żyrek, K. Stokowa-Sołtys, 2023, Molecules.

Lone pair–π vs π–π interactions in 5-fluoro-1-hexyluracil and 1-hexyluracil: a combined crystallographic and computational study

D. Quiñonero, E. Molins, C. Estarellas, 2010 .

Probing the effect of N-alkylation on the molecular recognition abilities of the major groove N7-binding site of purine ligands.

M. E. García-Rubiño, M. Barceló-Oliver, A. Castiñeiras, 2019, Journal of inorganic biochemistry.

Characterization of the full-length btuB riboswitch from Klebsiella pneumoniae.

R. Sigel, A. Musiari, M. Barceló-Oliver, 2016, Journal of inorganic biochemistry.

Synthesis, X-ray characterization and DFT studies of bis-N-imidazolylpyrimidine salts: the prominent role of hydrogen bonding and anion–π interactions

E. Molins, A. Frontera, Antoni Costa, 2014 .

Semenogelins Armed in Zn(II) and Cu(II): May Bioinorganic Chemistry Help Nature to Cope with Enterococcus faecalis?

M. Rowińska-Żyrek, D. Valensin, D. Dudek, 2023, Inorganic chemistry.

Experimental and theoretical studies on the coordination chemistry of the N1-hexyl substituted pyrimidines (uracil, 5-fluorouracil and cytosine).

E. Molins, A. Frontera, A. Bauzá, 2013, Dalton transactions.

Synthesis, X-ray characterization and regium bonding interactions of a trichlorido(1-hexylcytosine)gold(iii) complex.

A. Frontera, M. Barceló-Oliver, A. García-Raso, 2020, Chemical communications.