Results 51 to 60 of about 3,897,550 (347)

Fifteen years of the Protein Crystallography Station: the coming of age of macromolecular neutron crystallography

IUCrJ, 2017
The Protein Crystallography Station (PCS), located at the Los Alamos Neutron Scattering Center (LANSCE), was the first macromolecular crystallography beamline to be built at a spallation neutron source.
Julian C.-H. Chen, Clifford J. Unkefer
doaj   +1 more source

Solution-Phase Mechanistic Study and Solid-State Structure of a Tris(bipyridinium radical cation) Inclusion Complex [PDF]

, 2012
The ability of the diradical dicationic cyclobis(paraquat-p-phenylene) (CBPQT^(2(•+))) ring to form inclusion complexes with 1,1′-dialkyl-4,4′-bipyridinium radical cationic (BIPY^(•+)) guests has been investigated mechanistically and quantitatively.
Barnes, Jonathan C., Benítez, Diego, Coskun, Ali, Elhabiri, Mourad, Fahrenbach, Albert C., Gassensmith, Jeremiah J., Goddard, William A., III, Lanfranchi, Don Antoine, Li, Hao, Liu, Zhichang, Stoddart, J. Fraser, Trabolsi, Ali   +11 more
core   +2 more sources

Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database

Journal of Cheminformatics, 2018
Computer descriptions of chemical molecular connectivity are necessary for searching chemical databases and for predicting chemical properties from molecular structure.
M. Quirós, S. Gražulis, Saulė Girdzijauskaitė, Andrius Merkys, A. Vaitkus   +4 more
semanticscholar   +1 more source

Semax, a Copper Chelator Peptide, Decreases the Cu(II)-Catalyzed ROS Production and Cytotoxicity of aβ by Metal Ion Stripping and Redox Silencing

Bioinorganic Chemistry and Applications
Alzheimer’s disease (AD) is the most common neurodegenerative disorder associated with cognitive decline and loss of memory. It is postulated that the generation of reactive oxygen species (ROS) in Fenton-like reaction connected with Cu(II)/Cu(I) redox ...
Marianna Flora Tomasello, Maria Carmela Di Rosa, Irina Naletova, Michele Francesco Maria Sciacca, Alessandro Giuffrida, Giuseppe Maccarrone, Francesco Attanasio   +6 more
doaj   +1 more source

Hexakis-2-(β-carboxyethenylphenoxy)cyclotriphosphazene: Synthesis, Properties, Modeling Structure

Molecules, 2023
Condensation of hexakis-2-(formylphenoxy)cyclotriphosphazene with malonic acid yielded hexakis-2-(β-carboxyethenylphenoxy)cyclotriphosphazene (2-CEPP), whose structure was confirmed by 31P, 1H, 13C NMR spectroscopy and MALDI-TOF mass spectrometry.
Pavel Yudaev, Anastasia Konstantinova, Vladimir Volkov, Evgeniy Chistyakov   +3 more
doaj   +1 more source

X-ray crystallography of chemical compounds [PDF]

Life Sciences, 2010
Accurate knowledge of molecular structure is a prerequisite for rational drug design. This review examines the role of X-ray crystallography in providing the required structural information and advances in the field of X-ray crystallography that enhance or expand its role.X-ray crystallography of new drugs candidates and intermediates can provide ...
openaire   +2 more sources

Peptide‐based ligand antagonists block a Vibrio cholerae adhesin

FEBS Letters, EarlyView.
The structure of a peptide‐binding domain of the Vibrio cholerae adhesin FrhA was solved by X‐ray crystallography, revealing how the inhibitory peptide AGYTD binds tightly at its Ca2+‐coordinated pocket. Structure‐guided design incorporating D‐amino acids enhanced binding affinity, providing a foundation for developing anti‐adhesion therapeutics ...
Mingyu Wang, Grace Du, Charity Yongo‐Luwawa, Angelina Lu, Brett Kinrade, Kim Munro, Karl E. Klose, William D. Lubell, Peter Davies, Shuaiqi Guo   +9 more
wiley   +1 more source

Variable temperature studies of tetrapyridinesilver(I) hexafluorophosphate and tetrapyridinesilver(I) hexafluoroantimonate

Acta Crystallographica Section E: Crystallographic Communications
As part of a larger study into phase transitions, the structures of tetrapyridinesilver(I) hexafluorophosphate, [Ag(C5H5N)4](PF6) or AgPy4PF6, and tetrapyridinesilver(I) hexafluoroantimonate, [Ag(C5H5N)4](SbF6) or AgPy4SbF6, were determined at 300 and ...
Alice G. McNelly, Kirsten E. Christensen, Amber L. Thompson   +2 more
doaj   +1 more source

N,N′-Bis(3-ethoxy-2-hydroxybenzylidene)-phenylene-1,3-diamine Methanol Solvate

Molbank, 2023
A crystal structure and thermal characterization of a multisite Schiff base containing N2O2-inner and O4-outer coordination sites are reported. The title compound was characterized by X-ray structure analysis, 1H-NMR, 13C-NMR and ATR-FTIR spectroscopy ...
Dariusz Osypiuk, Agata Bartyzel, Beata Cristóvão   +2 more
doaj   +1 more source

Influence of cold-rolling reduction on retained austenite texture in cold-rolled and intercritically annealed TRIP-assisted steel [PDF]

, 2011
The newly developed multiphase transformation-induced plasticity (TRIP) steels are of interest for industrial applications because of their excellent combination of high strength and ductility.
Akbarzadeh, A, Emadoddin, E, Kestens, Leo, Petrov, Roumen, Pirgazi, Hadi   +4 more
core   +2 more sources