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List of works by Helder M. Marques

(2-Aminophenyl)methanol ⬇️

scientific article published on December 21, 2011

4-(Dimethoxymethyl)phenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside ⬇️

scientific article published on March 28, 2012

A DFT assessment of some physical properties of iodine-centered halogen bonding and other non-covalent interactions in some experimentally reported crystal geometries

scientific article published on 01 June 2018

A Density Functional Theory and Quantum Theory of Atoms-in-Molecules Analysis of the Stability of Ni(II) Complexes of Some Amino Alcohol Ligands

scientific article published on 31 May 2011

Amino-alcohol ligands: synthesis and structure of N,N'-bis(2-hydroxycyclopentyl)ethane-1,2-diamine and its salts, and an assessment of its fitness and that of related ligands for complexing metal ions.

scientific article published on September 2010

Analysis of malaria pigment from Plasmodium falciparum.

scientific article

Bis(2-bromoethyl)ammonium bromide ⬇️

scientific article published on July 28, 2012

Bis-(2-hy-droxy-eth-yl)ammonium 2-bromo-phenolate.

scientific article

C70 Fullerene Cage as a Novel Catalyst for Efficient Proton Transfer Reactions between Small Molecules: A Theoretical study

scientific article published on 23 July 2019

Conformational analysis of 18-azacrown-6 and its bonding with late first transition series divalent metals: insight from DFT combined with NPA and QTAIM analyses

scientific article published on 30 September 2011

DFT studies of trans and cis influences in the homolysis of the Co-C bond in models of the alkylcobalamins

scientific article published on 02 April 2013

DFT-B3LYP, NPA-, and QTAIM-based study of the physical properties of [M(II)(H2O)2(15-crown-5)] (M = Mn, Fe, Co, Ni, Cu, Zn) complexes

scientific article published on 13 May 2011

DFT-UX3LYP studies on the coordination chemistry of Ni2+. Part 1: Six coordinate [Ni(NH3)n(H2O)(6-n)]2+ complexes.

scientific article published on 30 September 2008

Diisopropylphosphitocobalamin-acetone-water (1/3.48/7.56).

scientific article published on 31 January 2004

Fate of haem iron in the malaria parasite Plasmodium falciparum

scientific article published on July 2002

Helical self-assembly of 2-(1,4,7,10-tetraazacyclododecan-1-yl)cyclohexan-1-ol (cycyclen)

scientific article published on 04 September 2012

Hemepeptide models for hemoproteins: the behavior of N-acetylmicroperoxidase-11 in aqueous solution.

scientific article published in July 1999

Hemes and hemeproteins, 2: The pH-dependent equilibria of microperoxidase-8 and characterization of the coordination sphere of Fe(III)

scientific article published on 01 August 1986

Hemes and hemoproteins. 1: Preparation and analysis of the heme-containing octapeptide (microperoxidase-8) and identification of the monomeric form in aqueous solution

scientific article published on 01 August 1986

Hemes and hemoproteins. 3. The reaction of microperoxidase-8 with cyanide: comparison with aquocobalamin and hemoproteins

scientific article published on 01 January 1987

Hydrogen-bond interactions in morpholinium bromide ⬇️

scientific article published on September 14, 2011

Hydrogen-bonding controls the solid-state and enantiomeric conformations of the amino alcohol ligand 2-[(2-hydroxyethyl)amino]cyclohexanol.

scientific article published on 27 March 2010

Influence of electronic and steric effects on stability constants and electrochemical reversibility of divalent ion complexes with glycine and sarcosine. A glass electrode potentiometric, sampled direct current polarographic, virtual potentiometric,

scientific article

Insights into porphyrin chemistry provided by the microperoxidases, the haempeptides derived from cytochrome c.

scientific article published on 23 August 2007

Is the Fluorine in Molecules Dispersive? Is Molecular Electrostatic Potential a Valid Property to Explore Fluorine-Centered Non-Covalent Interactions?

scientific article published on 22 January 2019

Isoamylcobalamin-acetone-water (1/0.385/12.650).

scientific article published on 11 March 2004

Kinetics of the release of aluminum from human serum dialuminum transferrin to citrate.

scientific article published in February 1991

Molecular modeling of the mechanochemical triggering mechanism for catalysis of carbon-cobalt bond homolysis in coenzyme B12.

scientific article

N,N'-bis(2-hydroxycyclohexyl)-N,N'-bis(2-hydroxyethyl)ethane-1,2-diaminium dichloride.

scientific article published on 21 October 2010

NMR spectroscopy and molecular modelling studies of nitrosylcobalamin: further evidence that the deprotonated, base-off form is important for nitrosylcobalamin in solution.

scientific article published on 05 December 2008

Outer-sphere anion recognition by a cyclen-based octadentate europium(III) complex: pH dependent recognition of ortho-phthalic acid.

scientific article published in February 2014

Phenylvinylcobalamin: an alkenylcobalamin featuring a ligand with a large trans influence.

scientific article published in June 2013

Probing the Nature of the CoIIIIon in Corrins: The Structural and Electronic Properties of Dicyano- and Aquacyanocobyrinic Acid Heptamethyl Ester and a Stable Yellow Dicyano- and Aquacyanocobyrinic Acid Heptamethyl Ester ⬇️

scientific article published on August 18, 2011

Probing the nature of the Co(III) ion in cobalamins: a comparison of the reaction of aquacobalamin (vitamin B12a) and aqua-10-chlorocobalamin with some anionic and N-donor ligands.

scientific article

Probing the nature of the Co(III) ion in corrins: a comparison of the thermodynamics and kinetics of the ligand substitution reactions of aquacyanocobyrinic acid heptamethyl ester and stable yellow aquacyanocobyrinic acid heptamethyl ester

scientific article published on 18 August 2011

Probing the nature of the Co(III) ion in corrins: comparison of reactions of aquacyanocobyrinic acid heptamethyl ester and aquacyano-stable yellow cobyrinic acid hexamethyl ester with neutral N-donor ligands

scientific article published on 26 December 2012

Protein-free models for the proton-coupled reduction of haemoproteins

scientific article published on 01 February 1984

Release of iron from C-terminal monoferric transferrin to phosphate and pyrophosphate at pH 5.5 proceeds through two pathways

scientific article published on 01 January 1995

Revealing Factors Influencing the Fluorine-Centered Non-Covalent Interactions in Some Fluorine-Substituted Molecular Complexes: Insights from First-Principles Studies.

scientific article published on 23 March 2018

Significance of hydrogen bonding and other noncovalent interactions in determining octahedral tilting in the CHNHPbI hybrid organic-inorganic halide perovskite solar cell semiconductor

scientific article published in Scientific Reports

Solution structure, enzymatic, and non-enzymatic reactivity of 3-isoadenosylcobalamin, a structural isomer of coenzyme B12 with surprising coenzymic activity.

scientific article

Speciation and structure of ferriprotoporphyrin IX in aqueous solution: spectroscopic and diffusion measurements demonstrate dimerization, but not mu-oxo dimer formation.

scientific article

Structural and enzymatic studies of a new analogue of coenzyme B12 with an alpha-adenosyl upper axial ligand

scientific article published on 01 July 1998

Structure-function relationships in aminoquinolines: effect of amino and chloro groups on quinoline-hematin complex formation, inhibition of beta-hematin formation, and antiplasmodial activity.

scientific article published on January 2000

Synthesis of copper and zinc 2-(pyridin-2-yl)imidazo[1,2-a]pyridine complexes and their potential anticancer activity.

scientific article

The chalcogen bond: can it be formed by oxygen?

scientific article published on 01 September 2019

The crystal structure of halofantrine-ferriprotoporphyrin IX and the mechanism of action of arylmethanol antimalarials

scientific article

The effects of anions on the kinetics of reductive elimination of iron from monoferrictransferrins by thiols

scientific article published on 01 March 1990

The interaction of the heme-octapeptide, N-acetylmicroperoxidase-8 with antimalarial drugs: solution studies and modeling by molecular mechanics methods.

scientific article published on October 1996

The physical chemistry of coordinated aqua-, ammine-, and mixed-ligand Co2+ complexes: DFT studies on the structure, energetics, and topological properties of the electron density

scientific article published on 14 January 2010

The preparation of N-acetyl-Co(III)-microperoxidase-8 (NAcCoMP8) and its ligand substitution reactions: a comparison with aquacobalamin (vitamin B(12a)).

scientific article published on 16 March 2013

The synthesis of a corrole analogue of aquacobalamin (vitamin B12a) and its ligand substitution reactions.

scientific article

Thermodynamic factors controlling the interaction of quinoline antimalarial drugs with ferriprotoporphyrin IX.

scientific article published on November 1997

cis influence in models of cobalt corrins by DFT and TD-DFT studies.

scientific article

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