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OPTICS LETTERS, ISSN 0146-9592, 10/2019, Volume 44, Issue 20, pp. 4937 - 4940
We present a pH-jump two-dimensional infrared (2D IR) spectrometer to probe pH-dependent conformational changes from nanoseconds to milliseconds. The design... 
PROTEIN | NITROBENZALDEHYDE | MECHANISM | CHANNEL | KINETICS | 2D IR SPECTROSCOPY | DYNAMICS | PHOTOCHEMISTRY | STATE | OPTICS | PROTON-TRANSFER | Femtosecond | Blue shift | Infrared spectroscopy | Infrared spectrometers | Spectrum analysis | Dimensional changes | Protonation
Journal Article
Biophysical Journal, ISSN 0006-3495, 02/2019, Volume 116, Issue 3, p. 317
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 06/2018, Volume 122, Issue 22, pp. 5984 - 5990
Up to 40% of intracellular water is confined due to the dense packing of macromolecules, ions, and osmolytes. Despite the large body of work concerning the... 
HYDRATION STRUCTURE | CONFORMATIONAL-CHANGES | SPECTROSCOPY | ELECTRIC-FIELDS | CHEMISTRY, PHYSICAL | PROTEIN-FOLDING SIMULATIONS | DENATURATION | DIMETHYL-SULFOXIDE | MOLECULAR-DYNAMICS SIMULATIONS | TRANSFER MODEL | LIVING CELLS
Journal Article
Biophysical Journal, ISSN 0006-3495, 05/2019, Volume 116, Issue 9, pp. 1692 - 1700
Transmembrane peptides contain polar residues in the interior of the membrane, which may alter the electrostatic environment and favor hydration in the... 
INSERTION | BIOPHYSICS | TRANSFORM INFRARED-SPECTROSCOPY | PROTEIN-STRUCTURE | FTIR | 2D IR SPECTROSCOPY | SECONDARY STRUCTURE | GUI | SIMULATIONS | CHARMM | SPECTRA | Molecular dynamics | Peptides | Hydrogen | Hydrogen bonding | Analysis | Investigations
Journal Article
The Journal of Physical Chemistry A, ISSN 1089-5639, 08/2018, Volume 122, Issue 32, pp. 6585 - 6592
Ion binding by carboxylate groups is common in biomolecules such as metalloproteins, but dynamical aspects of ion binding are not fully understood. We present... 
PROTEIN DYNAMICS | COMPLEX | 2-DIMENSIONAL INFRARED-SPECTROSCOPY | APPROXIMATION | QUANTUM | 2D IR SPECTROSCOPY | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | ENERGY RELAXATION | BASIS-SETS | LIQUIDS | MOLECULES
Journal Article
Biophysical Journal, ISSN 0006-3495, 02/2019, Volume 116, Issue 3, pp. 215 - 216a
Journal Article
Biophysical Journal, ISSN 0006-3495, 10/2018, Volume 115, Issue 8, pp. 1541 - 1551
Phospholipids can interact strongly with ions at physiological concentrations, and these interactions can alter membrane properties. Here, we describe the... 
MOLECULAR-DYNAMICS | 2-DIMENSIONAL INFRARED-SPECTROSCOPY | BIOPHYSICS | ADDITIVE FORCE-FIELD | PROTEINS APPLICATION | ION BINDING | 2D IR SPECTROSCOPY | PHOSPHATIDYLSERINE MEMBRANES | PHOSPHOLIPID-BILAYERS | DEUTERIUM NMR | GUI MEMBRANE-BUILDER | Physiological aspects | Molecular dynamics | Phospholipids | Surface active agents | Membranes
Journal Article
LANGMUIR, ISSN 0743-7463, 09/2019, Volume 35, Issue 35, pp. 11463 - 11470
Characterizing the hydrogen bond structure and dynamics at surfactant interfaces is essential for understanding how microscopic interactions translate to bulk... 
NIOSOMES | ENHANCED OIL-RECOVERY | HYDROGEN-BOND | MICROEMULSIONS | MATERIALS SCIENCE, MULTIDISCIPLINARY | CHEMISTRY, PHYSICAL | SORBITAN MONOSTEARATE | CHEMISTRY, MULTIDISCIPLINARY | HYDRATION | ORDER | NANOCONFINED WATER | SPECTROSCOPY | SIMULATIONS
Journal Article
Biophysical Journal, ISSN 0006-3495, 01/2014, Volume 106, Issue 2, pp. 459a - 459a
Journal Article
Biophysical Journal, ISSN 0006-3495, 02/2019, Volume 116, Issue 3, p. 49
Journal Article
Biophysical Journal, ISSN 0006-3495, 04/2015, Volume 108, Issue 7, p. 1747
  The conformational heterogeneity of the N-terminal domain of the ribosomal protein L9 (NTL9...) in its folded state is investigated using isotope-edited... 
Proteins | Solvents | Hydrogen bonds | Simulation | Isotopes
Journal Article
Biophysical Journal, ISSN 0006-3495, 01/2014, Volume 106, Issue 2, pp. 539a - 540a
Journal Article
Biophysical Journal, ISSN 0006-3495, 03/2014, Volume 106, Issue 6, p. 1359
  The folding mechanism of the N-terminal domain of ribosomal protein L9 (NTL9...) is studied using temperature-jump (T-jump) amide I... two-dimensional... 
Molecules | Simulation | Protein folding | Biophysics
Journal Article
Biophysical Journal, ISSN 0006-3495, 04/2015, Volume 108, Issue 7, pp. 1747 - 1757
Journal Article
Proceedings of the National Academy of Sciences of the United States of America, ISSN 0027-8424, 06/2013, Volume 110, Issue 23, p. 9243
  We provide a systematic characterization of the nanosecond ground-state lactam-lactim tautomerization of pyridone derivatives in aqueous solution under... 
Protons | Molecules | Thermodynamics | Temperature | Aqueous solutions | Correlation analysis
Journal Article
Optics Express, ISSN 1094-4087, 2014, Volume 22, Issue 15, pp. 18724 - 18735
We describe a microscope for measuring two-dimensional infrared (2D IR) spectra of heterogeneous samples with mu m-scale spatial resolution, sub-picosecond... 
OPTICAL SPECTROSCOPY | 2-DIMENSIONAL INFRARED-SPECTROSCOPY | OPTICS | RAMAN-SCATTERING MICROSCOPY | MODE | Microscopy - methods | Spectrophotometry, Infrared - methods | Vibration | Optics and Photonics
Journal Article
Angewandte Chemie, ISSN 0044-8249, 09/2017, Volume 129, Issue 38, pp. 11429 - 11429
Wasser‐DMSO‐Wechselwirkungen wurden mittels IR‐Spektroskopie analysiert. In ihrer Zuschrift auf S. 11533 zeigen C. R. Baiz et al., dass die... 
Phasenübergänge | Zeitaufgelöste Spektroskopie | Wasserstoffbrücken | Ab-initio-Rechnungen | Molekulare Dynamik | Hydrogen
Journal Article
Angewandte Chemie, ISSN 0044-8249, 09/2017, Volume 129, Issue 38, p. 11429
Wasser-DMSO-Wechselwirkungen wurden mittels IR-Spektroskopie analysiert. In ihrer Zuschrift auf S.11533 zeigen C.R. Baiz etal., dass die... 
Dimethyl sulfoxide
Journal Article
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