Search Results - "Hernandez, W"
-
1
Structural and catalytic properties of lanthanide (La, Eu, Gd) doped ceria
Published in Journal of solid state chemistry (01-11-2011)“…Ce 0.9 M 0.1O 2− δ mixed oxides ( M=La, Eu and Gd) were synthesized by coprecipitation. Independent of the dopant cation, the obtained solids maintain the…”
Get full text
Journal Article -
2
Using machine-learning approaches to investigate the volatile-compound fingerprint of fishy off-flavour from beef with enhanced healthful fatty acids
Published in Meat science (01-12-2024)“…Machine learning classification approaches were used to discriminate a fishy off-flavour identified in beef with health-enhanced fatty acid profiles. The…”
Get full text
Journal Article -
3
Lattice dynamics and spin–phonon coupling in the noncollinear antiferromagnetic antiperovskite Mn3NiN
Published in Journal of magnetism and magnetic materials (15-11-2022)“…Antiferromagnetic antiperovskites, of the form Mn3BN (B= Ni, Cu, Zn, Sn, Ir, and Pt), have shown an outstanding behavior in which, giant negative thermal…”
Get full text
Journal Article -
4
Synthesis of (+)-Pancratistatins via Catalytic Desymmetrization of Benzene
Published in Journal of the American Chemical Society (08-11-2017)“…A concise synthesis of (+)-pancratistatin and (+)-7-deoxypancratistatin from benzene using an enantioselective, dearomative carboamination strategy has been…”
Get full text
Journal Article -
5
Nickel-Catalyzed Dearomative trans-1,2-Carboamination
Published in Journal of the American Chemical Society (04-04-2018)“…We describe the development of an arenophile-mediated, nickel-catalyzed dearomative trans-1,2-carboamination protocol. A range of readily available aromatic…”
Get full text
Journal Article -
6
Enantioselective Synthesis of Isocarbostyril Alkaloids and Analogs Using Catalytic Dearomative Functionalization of Benzene
Published in Journal of the American Chemical Society (09-01-2019)“…Enantioselective total syntheses of the anticancer isocarbostyril alkaloids (+)-7-deoxypancratistatin, (+)-pancratistatin, (+)-lycoricidine, and…”
Get full text
Journal Article -
7
Effects of in-the-bag dry-ageing on meat quality, palatability and volatile compounds of low-value beef cuts
Published in Meat science (01-08-2023)“…This study evaluated the effects of in-the-bag dry-ageing (BDA) (21 and 42 d) on meat quality, palatability, and volatile compounds of clod heart, brisket, and…”
Get full text
Journal Article -
8
Effect of in-the-bag dry-ageing on meat palatability and volatile compounds of cull cows and youthful steers
Published in Meat science (01-06-2022)“…This study evaluated the effects of in-the-bag dry-ageing on eating quality and volatile compounds of longissimus lumborum from cows and steers. Compared to…”
Get full text
Journal Article -
9
The influence of early life socio-environmental factors on executive performance in a healthy adult sample
Published in Applied neuropsychology. Adult (06-03-2024)“…Attempts have been made (with research efforts encouraged) to deconstruct the "race" concept into language, cultural, and life experience variables that can…”
Get full text
Journal Article -
10
Catalytic Asymmetric Transfer Hydrogenation of trans-Chalcone Derivatives Using BINOL-derived Boro-phosphates
Published in Organic letters (07-08-2020)“…Chiral phosphoric-acid-catalyzed asymmetric reductions of trans-chalcones have been investigated in this work. A BINOL-derived boro-phosphate-catalyzed…”
Get full text
Journal Article -
11
Direct Magnetization-Polarization Coupling in BaCuF4
Published in Physical review letters (11-09-2018)“…Herewith, first-principles calculations based on density functional theory are used to describe the ideal magnetization reversal through polarization switching…”
Get full text
Journal Article Web Resource -
12
BitClust: Fast Geometrical Clustering of Long Molecular Dynamics Simulations
Published in Journal of chemical information and modeling (24-02-2020)“…The growing computational capacity allows the investigation of large biomolecular systems by increasingly extensive molecular dynamics simulations. The…”
Get full text
Journal Article -
13
Uncertainty propagation analysis in laminated structures with viscoelastic core
Published in Computers & structures (01-02-2016)“…•The sandwich beam is modeled using a classical model of constant shear strain and a first order shear strain theory.•Two typical sources of uncertainties on…”
Get full text
Journal Article -
14
Multi‐scale simulation reveals that an amino acid substitution increases photosensitizing reaction inputs in Rhodopsins
Published in Journal of computational chemistry (05-10-2020)“…Evaluating the availability of molecular oxygen (O2) and energy of excited states in the retinal binding site of rhodopsin is a crucial challenging first step…”
Get full text
Journal Article -
15
Perceived control, loneliness, early-life stress, and parents’ perceptions of stress
Published in Scientific reports (10-08-2023)“…The COVID-19 pandemic has highlighted the importance of understanding what contributes to individual variability in experiences of stress. Increases in stress…”
Get full text
Journal Article -
16
Retention of carbon monoxide onto magnetic [BN fullerene: B6]− and [BN fullerene: C6]− nanocomposites
Published in Applied physics. A, Materials science & processing (01-09-2018)“…The adsorption of the carbon monoxide molecules onto the magnetic [BN fullerene:B 6 ] − and [BN fullerene:C 6 ] − nanocomposites is analyzed by means of the…”
Get full text
Journal Article -
17
Modified cryptomelane-type manganese dioxide nanomaterials for preferential oxidation of CO in the presence of hydrogen
Published in Catalysis today (17-11-2010)“…Transition metal (Cu, Co, Ni and Zn)-modified cryptomelane-type manganese dioxide nanomaterials were synthesized by the milling method. The obtained solids…”
Get full text
Journal Article Conference Proceeding -
18
Structural Insights into the Inhibition Site in the Phosphorylcholine Phosphatase Enzyme of Pseudomonas aeruginosa
Published in Journal of chemical information and modeling (27-06-2022)“…Pseudomonas aeruginosa is a highly pathogenic Gram-negative microorganism associated with high mortality levels in burned or immunosuppressed patients or…”
Get full text
Journal Article -
19
From Proteome to Potential Drugs: Integration of Subtractive Proteomics and Ensemble Docking for Drug Repurposing against Pseudomonas aeruginosa RND Superfamily Proteins
Published in International journal of molecular sciences (01-08-2024)“…( ) poses a significant threat as a nosocomial pathogen due to its robust resistance mechanisms and virulence factors. This study integrates subtractive…”
Get full text
Journal Article -
20
Unveiling Novel Urease Inhibitors for Helicobacter pylori : A Multi-Methodological Approach from Virtual Screening and ADME to Molecular Dynamics Simulations
Published in International journal of molecular sciences (06-02-2024)“…( ) infections pose a global health challenge demanding innovative therapeutic strategies by which to eradicate them. Urease, a key virulence factor hydrolyzes…”
Get full text
Journal Article