Publications by authors named "M A Fernandez-Herrera"

Article Synopsis
  • Bile acid esters and their derivatives are important in supramolecular chemistry, biomedicine, and nanomaterials.
  • This study focuses on synthesizing esters from cholic, deoxycholic, and lithocholic acids using microwave-assisted heating, which enhances the efficiency of the process.
  • The research evaluates the gel-forming potential of these esters, using techniques like DSC and SEM to reveal their unique structural and thermal characteristics, suggesting their usefulness in creating new functional materials.
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Due to growing environmental concerns and regulatory pressures, the demand for environmentally friendly corrosion inhibitors has increased. Biosurfactants are biodegradable and have a low toxicity. However, very few studies have reported on their potential use as corrosion inhibitors.

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In this study, we elucidate the reaction mechanism for capturing CO with the ZnL(MeOH) complex (L=diacetyl-2-(4-methyl-3-thiosemicarbazone)-3-(2-hydrazinatopyridine)) in a methanol solution, using density functional theory calculations. One pathway involves the protonation of ZnL(MeOH) by methylcarbonic acid, followed by ligand exchange of MeOH with MeOCO . An alternative mechanism suggests a tautomerization between ZnL(MeOH) and Zn(HL)(OMe), followed by CO insertion.

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Experimental and clinical studies have indicated a potential role of the protein S100β in the pathogenesis and phenotype of neurodegenerative diseases. However, its impact on spinocerebellar ataxia type 2 (SCA2) remains to be elucidated. The objective of the study is to determine the serum levels of S100β in SCA2 and its relationship with molecular, clinical, cognitive, and peripheral inflammatory markers of the disease.

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This study examines the stability and protonation properties of four potential azahomocubanes. Through high-level computations, we find that 9-azahomocubane is the most stable isomer, closely followed by 5-azahomocubane, 1-azahomocubane, and 2-azahomocubane. However, understanding the stability of the systems with a nitrogen atom incorporated into a highly constrained polycyclic environment extends beyond mere bond angles or hybridization considerations.

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