David M. Freire

ORCID: 0000-0002-0976-2680
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About
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Research Areas
  • X-ray Diffraction in Crystallography
  • Crystallization and Solubility Studies
  • Metal-Catalyzed Oxygenation Mechanisms
  • Metal complexes synthesis and properties
  • Magnetism in coordination complexes
  • Lanthanide and Transition Metal Complexes
  • Molecular Sensors and Ion Detection
  • Computational Drug Discovery Methods
  • Amyotrophic Lateral Sclerosis Research
  • Photosynthetic Processes and Mechanisms
  • Organic Chemistry Cycloaddition Reactions
  • Catalytic C–H Functionalization Methods
  • Mitochondrial Function and Pathology
  • Porphyrin Metabolism and Disorders
  • Free Radicals and Antioxidants
  • Marine Sponges and Natural Products
  • CO2 Reduction Techniques and Catalysts
  • Porphyrin and Phthalocyanine Chemistry
  • Biochemical Analysis and Sensing Techniques
  • Electrochemical Analysis and Applications
  • Natural product bioactivities and synthesis
  • Supramolecular Self-Assembly in Materials
  • Radioactive element chemistry and processing

Texas Christian University
2020-2025

Fort Worth Library
2020

Instituto Venezolano de Investigaciones Científicas
2013

A series of Cu(II) complexes with the formula [CuRPyN3]2+ varying in substitution on pyridine ring were investigated as superoxide dismutase (SOD) mimics to identify most efficient reaction rates produced by a synthetic, water-soluble copper-based SOD mimic reported date. The resulting characterized X-ray diffraction analysis, UV–visible spectroscopy, cyclic voltammetry, and metal-binding (log β) affinities. Unique this approach, modifications PyN3 parent system tune redox potential while...

10.1021/acs.inorgchem.2c04327 article EN Inorganic Chemistry 2023-03-30

The metal binding properties of macrocyclic small molecules are a key property that drives the applications for which these ligands can be used. Pyridine-modified Py2N2 pyridinophane new class molecules, whose have not been explored. As result, Zn(II) library six pyridine-modified complexes is reported here. These results include 1H NMR, log βZn(II), and X-ray diffraction, compared to PyN3 congeners show differences in each scaffold yield markedly different exploited future applications.

10.1080/00958972.2025.2453062 article EN Journal of Coordination Chemistry 2025-02-03

We present physics-based p K a predictions for library of tetra-aza macrocycles.

10.1039/d5ra01015b article EN cc-by RSC Advances 2025-01-01

Pyclen and cylen complexes of manganese show pH dependent catalase activity with improved TOF TON for the more rigid pyclen derivative. Spectroscopic investigation shows O<sub>2</sub> evolution corresponds presence a μ-O bridged species.

10.1039/c9qi01509d article EN Inorganic Chemistry Frontiers 2020-01-01

Owing to the increasing importance of manganese(II) complexes in field magnetic resonance imaging (MRI), large efforts have been devoted find an appropriate ligand for Mn(II) ion encapsulation by providing balance between seemingly contradictory requirements (i.e., thermodynamic stability and kinetic inertness vs low denticity enabling water molecule(s) be coordinated its metal center). Among these ligands, a number pyridine or pyridol based open-chain macrocyclic chelators investigated so...

10.1021/acs.inorgchem.0c01053 article EN Inorganic Chemistry 2020-07-24

Superoxide dismutase enzymes are a major defense against superoxide, which is potent reactive oxygen species. Misregulation of species and subsequent neuronal damage etiological hallmarks neurodegenerative disease. Macrocyclic small molecules have offered inroads toward functional SOD1 mimics. Herein, we report series five tetra-aza macrocyclic RPy2N2 ligands, varied by 4-position substitution the pyridine ring with both electron-donating (R = OMe) withdrawing groups Cl, I, CF3) to offer...

10.1021/acs.inorgchem.4c02776 article EN Inorganic Chemistry 2024-12-03

Abstract The oxygen‐evolving complex (OEC) located in photosystem II (PSII) of green plants is one the best‐known examples a manganese‐containing enzyme nature, but it also used range other biological processes. OEC models incorporate two multi‐dentate nitrogen‐containing ligands coordinated to bis‐μ‐oxo Mn(III,IV) core. Open‐chain were initial scaffold for biomimetic studies, their macrocyclic counterparts have proven be particularly appropriate due enhanced stability. Dimer and monomer...

10.1002/ejic.202200039 article EN European Journal of Inorganic Chemistry 2022-04-08

Substitution of the pyridine ring in 12-membered tetra-aza pyridinophanes successfully provides a regulatory handle on log β and Fe( ii / iii ) redox couple. A C–C coupling reaction is used as readout these changes to ligand.

10.1039/d2dt03485a article EN Dalton Transactions 2022-12-05

The abundance of manganese in nature and versatility to access different oxidation states have made complexes attractive as catalysts for reactions both biology industry. Macrocyclic ligands offer the advantage substantially controlling reactivity center through electronic tuning steric constraint. Inspired by catalase enzyme, a biological catalyst disproportionation H

10.1021/acs.inorgchem.3c01234 article EN Inorganic Chemistry 2023-09-20

Numerous small molecules have been studied for their ability to counteract oxidative stress, a key contributor neurodegenerative diseases such as Alzheimer's. Despite these efforts, the pharmacological properties and structure-activity relationships of compounds remain insufficiently understood, yet they are critical in evaluating drug molecule's therapeutic potential. A modified tetra-aza macrocycle has demonstrated strong antioxidant activity through various mechanisms; however, its...

10.1021/acschemneuro.4c00530 article EN ACS Chemical Neuroscience 2024-10-01

Recent studies on the preparation of porous nano-materials revealed that use kaurane diterpenoids molecules from steviol as biological template favors obtaining metallic oxides with tubular morphology nanorods or nanofibers. In this sense, present contribution shows an analysis in order to understand how these glycosides control nucleation and growth inorganic materials favoring morphologies. For purpose, it was necessary carry out leaf aqueous extract Stevia rebaudiana by HRTEM, FTIR 1H-NMR.

10.4236/aces.2013.34035 article EN Advances in Chemical Engineering and Science 2013-01-01
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