Results 21 to 30 of about 7,557 (234)

Assessment of Free Energies From Electrostatic Embedding Density Functional Tight Binding‐Based/Molecular Mechanics in Periodic Boundary Conditions [PDF]

Journal of Computational Chemistry, Volume 46, Issue 11, April 30, 2025.
ABSTRACT Electrostatic embedding quantum mechanics/molecular mechanics (QM/MM) methods in periodic boundary conditions (PBC) can successfully describe the condensed phase reactivity of a fragment treated at the QM level with an atomistic description of an electrostatic environment treated at the MM level.
Simone Bonfrate, Woojin Park, Dulce Trejo‐Zamora, Nicolas Ferré, Cheol Ho Choi, Miquel Huix‐Rotllant   +5 more
wiley   +2 more sources

Robust Self‐Healing Metallo‐Supergels of Folic Acid: Potential Sustainable Gelator for Oilfield Applications [PDF]

Chemistry – A European Journal, Volume 31, Issue 25, May 5, 2025.
In combination with a large group of various metal salts folic acid (FA) forms mechanically robust metallogels with rapid recovery and self‐healing properties. These versatile gel systems provide tunable stiffness, with up to 95% of stiffness restored within 1 min.
Mahya Asgharian Marzabad, Subhasis Chattopadhyay, Sami Hietala, Nonappa Nonappa, Radek Marek, Ondřej Jurček   +5 more
wiley   +2 more sources

Mechanistic Study of ROS-photogeneration by Pterin

Pteridines, 2011
Pterins are widespread in biological systems and possess photosensitizing activities. In the present study, the photosensitization mechanism of acid form of pterin (PTA) and basic form of pterin (PTB) is investigated by means of density functional theory
Ji Hong-Fang, Shen Liang
doaj   +3 more sources

Kinetic Control in the Regioselective Alkylation of Pterin Sensitizers: A Synthetic, Photochemical, and Theoretical Study [PDF]

Photochemistry and Photobiology, 2018
Alkylation patterns and excited‐state properties of pterins were examined both experimentally and theoretically. 2D NMR spectroscopy was used to characterize the pterin derivatives, revealing undoubtedly that the decyl chains were coupled to either the ...
Niluksha Walalawela, Mariana Vignoni, María Noel Urrutia, Sarah J. Belh, Edyta M. Greer, Andrés H. Thomas, Alexander Greer   +6 more
openalex   +2 more sources

Evidence for corrin biosynthesis in the last universal common ancestor [PDF]

The FEBS Journal, Volume 292, Issue 4, Page 827-850, February 2025.
Cobalamin biosynthesis can be traced back to the last universal common ancestor. After a stage of chemical evolution of the acetyl‐CoA pathway, the enzymatic synthesis of cobalamin evolved, allowing life to be independent of the insoluble solid‐state catalysts that tethered primordial CO2 assimilation to the Earth's crust, suggesting a role for corrin ...
Luca D. Modjewski, Val Karavaeva, Natalia Mrnjavac, Michael Knopp, William F. Martin, Filipa L. Sousa   +5 more
wiley   +2 more sources

Biosynthesis of Pteridines in Insects: A Review [PDF]

Insects
Pteridines are important cofactors for many biological functions of all living organisms, and they were first discovered as pigments of insects, mainly in butterfly wings and the eye and body colors of insects. Most of the information on their structures
Juan Ferré
doaj   +2 more sources

Alkane Chain‐extended Pterin Through a Pendent Carboxylic Acid Acts as Triple Functioning Fluorophore, ¹O₂ Sensitizer and Membrane Binder

Photochemistry and Photobiology, 2019
In order to develop a new long alkane chain pterin that leaves the pterin core largely unperturbed, we synthesized and photochemically characterized decyl pterin‐6‐carboxyl ester (CapC) that preserves the pterin amide group.
Niluksha Walalawela, María Noel Urrutia, Andrés H. Thomas, Alexander Greer, Mariana Vignoni   +4 more
openalex   +3 more sources

Photooxidation of Tryptophan and Tyrosine Residues in Human Serum Albumin Sensitized by Pterin: A Model for Globular Protein Photodamage in Skin

Biochemistry, 2016
Human serum albumin (HSA) is the most abundant protein in the circulatory system. Oxidized albumin was identified in the skin of patients suffering from vitiligo, a depigmentation disorder in which the protection against ultraviolet (UV) radiation fails ...
Lara O. Reid, Ernesto A. Román, Andrés H. Thomas, M. Laura Dántola   +3 more
openalex   +2 more sources

Pterin Metabolism In Haemodialysis Patients

Pteridines, 1989
Summary Patients undertaking maintenance haemodialysis may develop a variety of neurological disorders, the most serious of which is aluminium induced encephalopathy. Abnormally raised serum concentrations of pterins are found in dialysis patients, and neonates with tetrahydrobiopterin deficiency develop mental dysfunction.
Chris Hamon, Paul Altmann, John M. Cunningham, Frank Marsh, Nick Sawyer, John E.A. Blair   +5 more
openaire   +3 more sources

A Pterin-Dependent Signaling Pathway Regulates a Dual-Function Diguanylate Cyclase-Phosphodiesterase Controlling Surface Attachment in Agrobacterium tumefaciens

mBio, 2015
The motile-to-sessile transition is an important lifestyle switch in diverse bacteria and is often regulated by the intracellular second messenger cyclic diguanylate monophosphate (c-di-GMP). In general, high c-di-GMP concentrations promote attachment to
Nathan Feirer, Jing Xu, Kylie D. Allen, Benjamin J. Koestler, Eric L. Bruger, Christopher M. Waters, Robert H. White, Clay Fuqua   +7 more
doaj   +2 more sources