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 signal
2018
Atmospheric β‑Caryophyllene-Derived Ozonolysis Products at Interfaces
Bé A, Chase H, Liu Y, Upshur M, Zhang Y, Tuladhar A, Chase Z, Bellcross A, Wang H, Wang Z, Batista V, Martin S, Thomson R, Geiger F. Atmospheric β‑Caryophyllene-Derived Ozonolysis Products at Interfaces. ACS Earth And Space Chemistry 2018, 3: 158-169. DOI: 10.1021/acsearthspacechem.8b00156.Peer-Reviewed Original ResearchΒ-caryophyllene oxidation productsSecondary organic materialOxidation productsVibrational sum frequency generation spectroscopyΒ-caryophyllene aldehydeSum frequency generation spectroscopyDensity functional theory calculationsSurface vibrational spectraFrequency generation spectroscopyGas-phase moleculesSame oxidation productsFunctional theory calculationsSurface tension depressionCaryophyllonic acidOrganic synthesisSOA particlesSFG spectroscopyPolar moietiesOzonolysis productsGeneration spectroscopyAerosol synthesisTheory calculationsVibrational spectraQuartz surfaceChemical origin
2015
Accurate Line Shapes from Sub‑1 cm–1 Resolution Sum Frequency Generation Vibrational Spectroscopy of α‑Pinene at Room Temperature
Mifflin A, Velarde L, Ho J, Psciuk B, Negre C, Ebben C, Upshur M, Lu Z, Strick B, Thomson R, Batista V, Wang H, Geiger F. Accurate Line Shapes from Sub‑1 cm–1 Resolution Sum Frequency Generation Vibrational Spectroscopy of α‑Pinene at Room Temperature. The Journal Of Physical Chemistry A 2015, 119: 1292-1302. PMID: 25647092, DOI: 10.1021/jp510700z.Peer-Reviewed Original ResearchConceptsVibrational spectroscopySum frequency generation vibrational spectroscopyGeneration vibrational spectroscopySum frequency generation spectraMolecular dynamics calculationsΑ-pineneVibrational energy relaxationSFG spectroscopyRoom temperaturePhase-resolved spectraAccurate line shapesVibrational spectraFourier transformMolecular surfaceHigh spectral resolutionSpectroscopyRaman spectraDynamics calculationsSame moleculeCommon terpenesNew spectroscopyVibrational coherenceEnergy relaxationGeneration spectraSpectral lines