Results 31 to 40 of about 92,868 (198)

Formation and destruction of polycyclic aromatic hydrocarbon clusters in the interstellar medium [PDF]

, 2006
The competition between the formation and destruction of coronene clusters under interstellar conditions is investigated theoretically. The unimolecular nucleation of neutral clusters is simulated with an atomic model combining an explicit classical ...
Allamandola, Allamandola, Barker, Bauschlicher, Benharash, Bernard, Beyer, Boulanger, Bouvier, Bréchignac, C. Joblin, Calvo, Cesarsky, Chesnavich, D. Toublanc, F. Calvo, F. Spiegelman, Fuente, Fuente, Gillespie, Gonzales, Grimme, Herbst, Hudgins, Joblin, Joblin, Klots, Kurucz, Le Bourlot, Lemaire, Li, Léger, M. Rapacioli, Martin, Marzec, Miller, Neirotti, P. Parneix, Piuzzi, Rapacioli, Rapacioli, Schmidt, Sofia, Song, Valenti, van de Waal, van den Ancker, Van Oanh, Weerasinghe, Witt   +49 more
core   +2 more sources

Theoretical study of intramolecular vibrational relaxation of acetylenic CH vibration for v=1 and 2 in large polyatomic molecules (CX3)3YCCH, where X=H or D and Y=C or Si [PDF]

, 1993
Quantum calculations are reported for the intramolecular vibrational energy redistribution and absorption spectra of the first two excited states of the acetylenic CH stretch vibration in the polyatomic molecules (CX3)3YCCH, where X=H or D and Y=C or Si.
Marcus, R. A., Stuchebrukhov, A. A.
core   +1 more source

Single-molecule force spectroscopy: A facile technique for studying the interactions between biomolecules and materials interfaces

Reviews in Analytical Chemistry, 2020
The quantification of the interactions between biomolecules and materials interfaces is crucial for design and synthesis functional hybrid bionanomaterials for materials science, nanotechnology, biosensor, biomedicine, tissue engineering, and other ...
Wang Li, Qian Yuhong, Sun Yantao, Liu Bin, Wei Gang   +4 more
doaj   +1 more source

Shigella IpaA mediates actin bundling through diffusible vinculin oligomers with activation imprint

Cell Reports, 2023
Summary: Upon activation, vinculin reinforces cytoskeletal anchorage during cell adhesion. Activating ligands classically disrupt intramolecular interactions between the vinculin head and tail domains that bind to actin filaments.
Cesar Valencia-Gallardo, Daniel-Isui Aguilar-Salvador, Hamed Khakzad, Benjamin Cocom-Chan, Charles Bou-Nader, Christophe Velours, Yosra Zarrouk, Christophe Le Clainche, Christian Malosse, Diogo Borges Lima, Nicole Quenech’Du, Bilal Mazhar, Sami Essid, Marc Fontecave, Atef Asnacios, Julia Chamot-Rooke, Lars Malmström, Guy Tran Van Nhieu   +17 more
doaj   +1 more source

Intramolecular Force Contrast and Dynamic Current-Distance Measurements at Room Temperature [PDF]

Physical Review Letters, 2015
Scanning probe microscopy can be used to probe the internal atomic structure of flat organic molecules. This technique requires an unreactive tip and has, until now, been demonstrated only at liquid helium and liquid nitrogen temperatures. We demonstrate intramolecular and intermolecular force contrast at room temperature on PTCDA molecules adsorbed on
Huber, Ferdinand, Matencio, Sonia, Weymouth, Alfred J., Ocal, Carmen, Barrena, Esther, Giessibl, Franz J.   +5 more
openaire   +3 more sources

Molecular modeling of intermolecular and intramolecular excluded volume interactions for polymers at interfaces [PDF]

, 2009
A hybrid modeling approach is proposed for inhomogeneous polymer solutions. The method is illustrated for the depletion problem with polymer chains up to N=103 segments in semidilute solutions and good solvent conditions. In a three-dimensional volume, a
Charlaganov, M., Leermakers, F.A.M.
core   +7 more sources

Patterning-mediated supramolecular assembly of lipids into nanopalms

iScience, 2022
Summary: At nanoconfined interfaces, a micellar ink of lipids was programmed to transform into various secondary structures such as discs, sheets, or sheet and discs via patterning-mediated self-assembly facilitated by polymer pen lithography ...
Samar A. Alsudir, Alhanouf Alharbi, Abdulaziz M. Almalik, Ali H. Alhasan   +3 more
doaj   +1 more source

Theory of mechanical unfolding of homopolymer globule: all-or-none transition in force-clamp mode vs phase coexistence in position-clamp mode

, 2012
Equilibrium mechanical unfolding of a globule formed by long flexible homopolymer chain collapsed in a poor solvent and subjected to an extensional force f (force-clamp mode) or extensional deformation D (position-clamp mode) is studied theoretically ...
Alexey A. Polotsky, Balescu R., Borgia A., Cooke R., Craig A., Elizaveta E. Smolyakova, Forman J. R., Grosberg A. Y., Halperin A., Halperin A., Landau L. D., Lifshitz I. M., Meglio A., Moffitt J. R., Neumann R. M., Oberhauser A. F., Polotsky A. A., Polotsky A. A., Polotsky A. A., Puchner E. M., Rayleigh L., Samori B., Schlierf M., Schrödinger E., Sinha S., Skvortsov A. M., Süzen M., Tatiana M. Birshtein, Williams M. C., Winkler R. G.   +29 more
core   +1 more source

Linear response of a grafted semiflexible polymer to a uniform force field [PDF]

, 2004
We use the worm-like chain model to analytically calculate the linear response of a grafted semiflexible polymer to a uniform force field. The result is a function of the bending stiffness, the temperature, the total contour length, and the orientation ...
Erwin Frey, J. Howard, L. D. Landau, N. Saitô, P. Nelson, Panayotis Benetatos   +5 more
core   +1 more source

A Polarizable Atomic Multipole-Based Force Field for Molecular Dynamics Simulations of Anionic Lipids

Molecules, 2017
In all of the classical force fields, electrostatic interaction is simply treated and explicit electronic polarizability is neglected. The condensed-phase polarization, relative to the gas-phase charge distributions, is commonly accounted for in an ...
Huiying Chu, Xiangda Peng, Yan Li, Yuebin Zhang, Guohui Li   +4 more
doaj   +1 more source