Results 31 to 40 of about 636,871 (343)

Tris(2-benzamidoethyl)ammonium tetrafluoroborate

open access: yesActa Crystallographica Section E, 2010
In the title compound, C27H31N4O3+·BF4−, the central N atom is protonated. The three arms form a pocket and one amidic O atom accepts an intermolecular hydrogen bond with the protonated amine. The tetrafluoroborate anion is outside the
Marcy L. Pilate   +3 more
doaj   +1 more source

Perturbation hydrogen-atom spectrum in deformed space with minimal length

open access: yes, 2006
We study energy spectrum for hydrogen atom with deformed Heisenberg algebra leading to minimal length. We develop correct perturbation theory free of divergences.
M. Abramowitz   +2 more
core   +1 more source

rac-N-[Hydroxy(4-pyridyl)methyl]picolinamide: a hemiamidal

open access: yesActa Crystallographica Section E, 2010
The title compound, C12H11N3O2, a hemiamidal, was synthesized by solvent-free aldol condensation at room temperature by grinding picolinamide with isonicotinaldehyde in a 1:1 molar ratio.
Muhammad Altaf, Helen Stoeckli-Evans
doaj   +1 more source

Hydrogen/nitrogen/oxygen defect complexes in silicon from computational searches

open access: yes, 2009
Point defect complexes in crystalline silicon composed of hydrogen, nitrogen, and oxygen atoms are studied within density-functional theory (DFT). Ab initio Random Structure Searching (AIRSS) is used to find low-energy defect structures.
Andrew J. Morris   +3 more
core   +1 more source

Structural insights into lacto‐N‐biose I recognition by a family 32 carbohydrate‐binding module from Bifidobacterium bifidum

open access: yesFEBS Letters, EarlyView.
Bifidobacterium bifidum establishes symbiosis with infants by metabolizing lacto‐N‐biose I (LNB) from human milk oligosaccharides (HMOs). The extracellular multidomain enzyme LnbB drives this process, releasing LNB via its catalytic glycoside hydrolase family 20 (GH20) lacto‐N‐biosidase domain.
Xinzhe Zhang   +5 more
wiley   +1 more source

3-(4-Chlorophenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

open access: yesActa Crystallographica Section E, 2013
In the title compound, C16H13ClFN3S, the pyrazole ring adopts an envelope conformation with the methine C atom being the flap atom. The chloro- and fluorobenzene rings are twisted out of the plane of the pyrazole ring [dihedral angles = 15.12 (11 ...
Edward R. T. Tiekink   +3 more
doaj   +1 more source

Peptide‐based ligand antagonists block a Vibrio cholerae adhesin

open access: yesFEBS 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   +9 more
wiley   +1 more source

4-Chloro-N-(pyrimidin-2-yl)aniline

open access: yesActa Crystallographica Section E, 2009
The two aromatic rings in the title compound, C10H8ClN3, open the angle at the planar N atom to 128.00 (12)°. The amino N atom of one molecule forms a hydrogen bond to the 1-N atom of an adjacent pyrimidyl ring, generating a hydrogen-bonded ...
A. Bakar Maizathul Akmam   +2 more
doaj   +1 more source

The hydrogen atom in electric and magnetic fields : Pauli's 1926 article

open access: yes, 2002
The results obtained by Pauli, in his 1926 article on the hydrogen atom, made essential use of the dynamical so(4) symmetry of the bound states. Pauli used this symmetry to compute the perturbed energy levels of an hydrogen atom in a uniform electric ...
Becker H. G.   +2 more
core   +1 more source

Substrate specificity of Burkholderia pseudomallei multidrug transporters is influenced by the hydrophilic patch in the substrate‐binding pocket

open access: yesFEBS Letters, EarlyView.
Multidrug transporters BpeB and BpeF from the Gram‐negative pathogen Burkholderia pseudomallei have a hydrophilic patch in their substrate‐binding pocket. Drug susceptibility tests and growth curve analyses using an Escherichia coli recombinant expression system revealed that the hydrophilic patches of BpeB and BpeF are involved in the substrate ...
Ui Okada, Satoshi Murakami
wiley   +1 more source

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