2024
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
2011
Chiral Sum Frequency Generation Spectroscopy for Characterizing Protein Secondary Structures at Interfaces
Fu L, Liu J, Yan EC. Chiral Sum Frequency Generation Spectroscopy for Characterizing Protein Secondary Structures at Interfaces. Journal Of The American Chemical Society 2011, 133: 8094-8097. PMID: 21534603, DOI: 10.1021/ja201575e.Peer-Reviewed Original ResearchConceptsChiral sum frequency generation (SFG) spectroscopySum frequency generation spectroscopyFrequency generation spectroscopyProtein secondary structureVibrational signaturesGeneration spectroscopyChiral SFG spectroscopyChiral SFG spectraRandom coilSecondary structureΑ-helixΒ-sheetLipid-water interfaceSFG spectroscopyHuman islet amyloidPeptide backboneSFG spectraH stretchAmide IReal-time characterizationSpectroscopyProtein conformationIslet amyloidStructureSitu