Beyond the “spine of hydration”: Chiral SFG spectroscopy detects DNA first hydration shell and base pair structures
Perets E, Konstantinovsky D, Santiago T, Videla P, Tremblay M, Velarde L, Batista V, Hammes-Schiffer S, Yan E. Beyond the “spine of hydration”: Chiral SFG spectroscopy detects DNA first hydration shell and base pair structures. The Journal Of Chemical Physics 2024, 161: 095104. PMID: 39230381, PMCID: PMC11377083, DOI: 10.1063/5.0220479.Peer-Reviewed Original ResearchConceptsChiral SFG spectraProbe water moleculeWater moleculesChiral SFG spectroscopyHydration shellSFG spectraMinor grooveSFG spectroscopyHydration shell water moleculesWater structureO-H stretching of waterSum frequency generation spectroscopyShell water moleculesPhosphate backboneN-H stretchingO-H stretchingDNA base pairsDNA minor grooveSpine of hydrationSpectra of DNAN-HVibrational spectroscopyO-HSFG responseSFG signalTheoretical basis for interpreting heterodyne chirality-selective sum frequency generation spectra of water
Konstantinovsky D, Santiago T, Tremblay M, Simpson G, Hammes-Schiffer S, Yan E. Theoretical basis for interpreting heterodyne chirality-selective sum frequency generation spectra of water. The Journal Of Chemical Physics 2024, 160: 055102. PMID: 38341693, PMCID: PMC10846909, DOI: 10.1063/5.0181718.Peer-Reviewed Original ResearchChiral SFG spectraSFG spectraVibrational bandsHydration shellO-H stretching modesVibrational sum frequency generationLorentzian functionO–H vibrational bandsSum frequency generation spectraIntramolecular vibrational couplingO–H stretching vibration bandsStretching vibration bandHydration waterSum frequency generationO-H stretchingHydration shells of biomoleculesVibrational frequency distributionDynamics of hydration waterGeneration spectraSpectral fittingInteraction of waterStretching modeVibrational couplingInduced chiralityO-H