Results 61 to 70 of about 8,341 (207)

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

open access: yesAdvanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park   +19 more
wiley   +1 more source

C7-Prenylation of Tryptophan-Containing Cyclic Dipeptides by 7-Dimethylallyl Tryptophan Synthase Significantly Increases the Anticancer and Antimicrobial Activities

open access: yesMolecules, 2020
Prenylated natural products have interesting pharmacological properties and prenylation reactions play crucial roles in controlling the activities of biomolecules.
Rui Liu   +5 more
doaj   +1 more source

Preparation, Spectrochemical, and Computational Analysis of L-Carnosine (2-[(3-Aminopropanoyl)amino]-3-(1H-imidazol-5-yl)propanoic Acid) and Its Ruthenium (II) Coordination Complexes in Aqueous Solution

open access: yesMolecules, 2011
This study reports the synthesis and characterization of novel ruthenium (II) complexes with the polydentate dipeptide, L-carnosine (2-[(3-aminopropanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid). Mixed-ligand complexes with the general composition [MLp(
Myalo Sabela   +4 more
doaj   +1 more source

Energetics of Cyclic Dipeptide Crystal Packing and Solvation

open access: yesBiophysical Journal, 1997
Calculations of the thermodynamics of transfer of the cyclic alanine-alanine (cAA) and glycine-glycine (cGG) dipeptides between the gas, water, and crystal phases were carried out using a combination of molecular mechanics, normal mode analysis, and continuum electrostatics. The experimental gas-to-water solvation free energy and the enthalpy of gas-to-
Brady, G.Patrick, Sharp, Kim A.
openaire   +2 more sources

Biomimetic epoxidation in aqueous media catalyzed by cyclic dipeptides [PDF]

open access: yesSynthetic Communications, 2016
We have developed a practical epoxidation of electron-deficient enones in aqueous media using cyclic dipeptides as bioinspired green catalyst. Optimizing the reaction conditions in a triphasic system led to efficient conditions providing epoxides with good enantioselectivities.
Bérubé, Christopher, Voyer, Normand
openaire   +1 more source

Synthesis and binding studies of two new macrocyclic receptors for the stereoselective recognition of dipeptides

open access: yesBeilstein Journal of Organic Chemistry, 2010
We present here the design, synthesis, and analysis of a series of receptors for peptide ligands inspired by the hydrogen-bonding pattern of protein β-sheets.
Ana Maria Castilla   +2 more
doaj   +1 more source

Photoprotective Effects of Yeast Pulcherrimin

open access: yesMolecules
Sunscreen products can protect the skin against the harmful effects of UV radiation, including reddening, aging, and cancer. The aim of this research was to evaluate the photoprotective effects of yeast pulcherrimin, an iron-chelating dipeptide. We first
Dorota Kregiel   +4 more
doaj   +1 more source

Peptide Thioester and Triazole Derivatives Through On‐Resin Dual‐Modification of Peptide Thiosulfonates

open access: yesAngewandte Chemie International Edition, EarlyView.
An on‐resin dual‐modification strategy for peptides is presented, comprising S‐alkynylation of peptide thiosulfonates and regioselective iridium‐catalyzed azide–thioalkyne cycloaddition. This method reliably provides access to peptides with intricate non‐canonical modifications, being compatible with complex peptides, alkynes and azides.
Marius Werner   +5 more
wiley   +1 more source

Microbial Hydrolysates as Amino Acid Source in Cell Culture Media for Cellular Agriculture

open access: yesBiotechnology and Bioengineering, EarlyView.
ABSTRACT The high cost of cultivation media remains one of the barriers to the commercialization of cultivated meat. Current serum‐free media reduce reliance on fetal bovine serum but only achieve modest cost savings. Especially at larger scales (> 20 m3), pharmaceutical‐grade amino acids and recombinant proteins remain major cost drivers.
Jelle C. Hoek   +3 more
wiley   +1 more source

Free Energies of Reaction for Aqueous Glycine Condensation Chemistry at Extreme Temperatures

open access: yesGeophysical Monograph Series, Page 271-283., 2020

This book is Open Access. A digital copy can be downloaded for free from Wiley Online Library.

Explores the behavior of carbon in minerals, melts, and fluids under extreme conditions

Carbon trapped in diamonds and carbonate-bearing rocks in subduction zones are examples of the continuing exchange of substantial carbon ...
Matthew Kroonblawd, Nir Goldman
wiley  

+1 more source

Home - About - Disclaimer - Privacy