Results 51 to 60 of about 966,659 (353)

Crystal structure, DFT and MEP study of (E)-2-{[(3-chlorophenyl)imino]methyl}-6-methylphenol

Acta Crystallographica Section E: Crystallographic Communications, 2020
In the crystal structure of the title compound, C14H12ClNO, the molecules are linked through C—H...O hydrogen bonds and C—H...π interactions, forming chains parallel to the [010] direction.
Hanife Saraçoğlu, Onur Erman Doğan, Tuğgan Ağar, Necmi Dege, Turganbay S. Iskenderov   +4 more
doaj   +1 more source

Ground-state structure of the hydrogen double vacancy on Pd(111)

, 2007
We determine the ground-state structure of a double vacancy in a hydrogen monolayer on the Pd(111) surface. We represent the double vacancy as a triple vacancy containing one additional hydrogen atom.
C. Kittel, Ira N. Levine, S. C. Erwin, Seong-Gon Kim, Sungho Kim   +4 more
core   +1 more source

Femtosecond dynamics of hydrogen elimination: benzene formation from cyclohexadiene [PDF]

, 2000
Using femtosecond-resolved mass spectrometry in a molecular beam, we report real-time study of the hydrogen elimination reaction of 1,4-cyclohexadiene. The experimental observation of the ultrafast stepwise H-elimination elucidates the reaction dynamics ...
De Feyter, Steven, Diau, Eric W.-G., Zewail, Ahmed H.   +2 more
core   +1 more source

Two-Center Basis Generator Method Calculations for Li³⁺, C³⁺ and O³⁺ Ion Impact on Ground State Hydrogen

Atoms, 2022
The two-center basis generator method is used to obtain cross sections for excitation, capture, and ionization in Li3+, C3+, and O3+ collisions with ground-state hydrogen at projectile energies from 1 to 100 keV/u.
Anthony C. K. Leung, Tom Kirchner
doaj   +1 more source

Ionization Cross Sections in the Collision between Two Ground State Hydrogen Atoms at Low Energies

Atoms, 2020
The interaction between two ground state hydrogen atoms in a collision was studied using the four-body classical trajectory Monte Carlo method. We present the total cross sections for the dominant channels, namely for the single ionization of the target,
Saed J. Al Atawneh, Örs Asztalos, Borbála Szondy, Gergő I. Pokol, Károly Tőkési   +4 more
doaj   +1 more source

A Variational Solution of the Schrödinger Equation in an Inhomogeneous Central Field

EPJ Web of Conferences, 2018
The present work is devoted to the computer modeling of emission processes from the graphene surface which is a promising material for modern applications.
Tolstov Ilya, Freinkman Boris, Polyakov Sergey   +2 more
doaj   +1 more source

Structural instability impairs function of the UDP‐xylose synthase 1 Ile181Asn variant associated with short‐stature genetic syndrome in humans

FEBS Letters, EarlyView.
The Ile181Asn variant of human UDP‐xylose synthase (hUXS1), associated with a short‐stature genetic syndrome, has previously been reported as inactive. Our findings demonstrate that Ile181Asn‐hUXS1 retains catalytic activity similar to the wild‐type but exhibits reduced stability, a looser oligomeric state, and an increased tendency to precipitate ...
Tuo Li, Pedro A. Sánchez‐Murcia, Bernd Nidetzky   +2 more
wiley   +1 more source

Ground state properties of a confined simple atom by C$_{60}$ fullerene

, 2007
We numerically study the ground state properties of endohedrally confined hydrogen (H) or helium (He) atom by a molecule of C$_{60}$. Our study is based on Diffusion Monte Carlo method. We calculate the effects of centered and small off-centered H- or He-
Charles Kent P R, Connerade J P, Connerade J P, Connerade J P, Connerade J P, Forro' L, G Tayebirad, Heggie H, Joslin C, M Neek-Amal, R Asgari, Sen K D, Shinohara H   +12 more
core   +1 more source

Compact phases of polymers with hydrogen bonding [PDF]

, 2003
We propose an off-lattice model for a self-avoiding homopolymer chain with two different competing attractive interactions, mimicking the hydrophobic effect and the hydrogen bond formation respectively. By means of Monte Carlo simulations, we are able to
A.D. Sokal, Antonio Trovato, H.S. Chan, I.M. Lifshitz, J. Borg, J. Ferkinghoff-Borg, J.P. Kemp, Jesper Ferkinghoff-Borg, K.A. Dill, L. Pauling, L.M. Gregoret, Mogens H. Jensen, N.D. Socci, P. Grassberger, T.P. Creamer, U.H.E. Hansmann, V.G. Rostiashvili, Y. Zhou   +17 more
core   +1 more source

Transferrin receptor 1‐mediated iron uptake supports thermogenic activation in human cervical‐derived adipocytes

FEBS Letters, EarlyView.
In this study, we found that human cervical‐derived adipocytes maintain intracellular iron level by regulating the expression of iron transport‐related proteins during adrenergic stimulation. Melanotransferrin is predicted to interact with transferrin receptor 1 based on in silico analysis.
Rahaf Alrifai, Mizuki Seo, Gyath Karadsheh, Fachrur Rizal Mahendra, Máté Á Demény, Ferenc Győry, János András Mótyán, László Fésüs, Endre Kristóf, Rini Arianti   +9 more
wiley   +1 more source