Quantum ergodicity and energy flow in molecules

DM Leitner - Advances in Physics, 2015 - Taylor & Francis
We review a theory for coupled many-nonlinear oscillator systems that describes quantum
ergodicity and energy flow in molecules. The theory exploits the isomorphism between …

Ballistic and diffusive vibrational energy transport in molecules

IV Rubtsov, AL Burin - The Journal of chemical physics, 2019 - pubs.aip.org
Energy transport in molecules is essential for many areas of science and technology. Strong
covalent bonds of a molecular backbone can facilitate the involvement of the molecule's …

Excited-state proton transfer of photoexcited pyranine in water observed by femtosecond stimulated Raman spectroscopy

F Han, W Liu, C Fang - Chemical Physics, 2013 - Elsevier
We use femtosecond stimulated Raman spectroscopy (FSRS) to illuminate the
choreography of intermolecular excited-state proton transfer (ESPT) of photoacid pyranine …

Energy transport across interfaces in biomolecular systems

DM Leitner, HD Pandey, KM Reid - The Journal of Physical …, 2019 - ACS Publications
Energy transport during chemical reactions or following photoexcitation in systems of
biological molecules is mediated by numerous interfaces that separate chemical groups and …

Nonequilibrium molecular dynamics simulation of the energy transport through a peptide helix

PH Nguyen, SM Park, G Stock - The Journal of chemical physics, 2010 - pubs.aip.org
Recent progress in transient infrared spectroscopy has made it possible to monitor the
transient flow of vibrational energy along a peptide helix [V. Botan et al, Proc. Natl. Acad. Sci …

A donor–acceptor pair for the real time study of vibrational energy transfer in proteins

HM Müller-Werkmeister, J Bredenbeck - Physical Chemistry Chemical …, 2014 - pubs.rsc.org
Vibrational energy transfer (VET) is believed to play an important role in protein function.
Theoretical studies predict highly directional, anisotropic VET in proteins. Distinct energy …

Dynamical transition in a small helical peptide and its implication for vibrational energy transport

EHG Backus, E Bloem, R Pfister, A Moretto… - The Journal of …, 2009 - ACS Publications
The two-dimensional infrared spectrum of an octameric helical peptide in chloroform was
measured as a function of temperature. Isotope labeling of the carbonyl group of one of the …

Vibrational Energy Transport in Peptide Helices after Excitation of C−D Modes in Leu-d10

M Schade, A Moretto, M Crisma… - The Journal of …, 2009 - ACS Publications
Vibrational energy transport in a short 310-helical peptide is studied by time-resolved
femtosecond infrared spectroscopy. The C− D vibrations of decadeuterated leucine …

Structure dependent energy transport: Relaxation-assisted 2DIR measurements and theoretical studies

VM Kasyanenko, SL Tesar, GI Rubtsov… - The Journal of …, 2011 - ACS Publications
Vibrational energy relaxation and transport in a molecule that is far from thermal equilibrium
can affect its chemical reactivity. Understanding the energy transport dynamics in such …

Through bonds or contacts? Mapping protein vibrational energy transfer using non-canonical amino acids

E Deniz, L Valiño-Borau, JG Löffler, KB Eberl… - Nature …, 2021 - nature.com
Vibrational energy transfer (VET) is essential for protein function. It is responsible for efficient
energy dissipation in reaction sites, and has been linked to pathways of allosteric …