Vibrational spectroscopic map, vibrational spectroscopy, and intermolecular interaction
Vibrational spectroscopy is an essential tool in chemical analyses, biological assays, and
studies of functional materials. Over the past decade, various coherent nonlinear vibrational …
studies of functional materials. Over the past decade, various coherent nonlinear vibrational …
Measuring electric fields and noncovalent interactions using the vibrational Stark effect
Conspectus Over the past decade, we have developed a spectroscopic approach to
measure electric fields inside matter with high spatial (< 1 Å) and field (< 1 MV/cm) …
measure electric fields inside matter with high spatial (< 1 Å) and field (< 1 MV/cm) …
Extreme electric fields power catalysis in the active site of ketosteroid isomerase
Enzymes use protein architecture to impose specific electrostatic fields onto their bound
substrates, but the magnitude and catalytic effect of these electric fields have proven difficult …
substrates, but the magnitude and catalytic effect of these electric fields have proven difficult …
Watching proteins wiggle: mapping structures with two-dimensional infrared spectroscopy
Proteins exhibit structural fluctuations over decades of time scales. From the picosecond
side chain motions to aggregates that form over the course of minutes, characterizing protein …
side chain motions to aggregates that form over the course of minutes, characterizing protein …
Computational design of synthetic enzymes
V Vaissier Welborn, T Head-Gordon - Chemical reviews, 2018 - ACS Publications
We review the standard model for de novo computational design of enzymes, which
primarily focuses on the development of an active-site geometry, composed of protein …
primarily focuses on the development of an active-site geometry, composed of protein …
Nitrile infrared intensities characterize electric fields and hydrogen bonding in protic, aprotic, and protein environments
Nitriles are widely used vibrational probes; however, the interpretation of their IR
frequencies is complicated by hydrogen bonding (H-bonding) in protic environments. We …
frequencies is complicated by hydrogen bonding (H-bonding) in protic environments. We …
Electric fields and enzyme catalysis
What happens inside an enzyme's active site to allow slow and difficult chemical reactions to
occur so rapidly? This question has occupied biochemists' attention for a long time …
occur so rapidly? This question has occupied biochemists' attention for a long time …
Infrared probes for studying the structure and dynamics of biomolecules
The first step toward understanding most of the chemical and biological processes in
condensed phases is to accurately describe solute− solvent interaction energy and to …
condensed phases is to accurately describe solute− solvent interaction energy and to …
Using nitrile-derivatized amino acids as infrared probes of local environment
Z Getahun, CY Huang, T Wang… - Journal of the …, 2003 - ACS Publications
It is well-known that the C⋮ N stretching vibration in acetonitrile is sensitive to solvent.
Therefore, we proposed in this contribution to use this vibrational mode to report local …
Therefore, we proposed in this contribution to use this vibrational mode to report local …
Applications of 2D IR spectroscopy to peptides, proteins, and hydrogen-bond dynamics
YS Kim, RM Hochstrasser - The Journal of Physical Chemistry B, 2009 - ACS Publications
Applications of 2D IR Spectroscopy to Peptides, Proteins, and Hydrogen-Bond Dynamics | The
Journal of Physical Chemistry B ACS ACS Publications C&EN CAS Find my institution Log In …
Journal of Physical Chemistry B ACS ACS Publications C&EN CAS Find my institution Log In …