Frontiers of UV resonant raman spectroscopy by using synchrotron radiation: the case of aqueous solvation of model peptides

Rossi, Barbara; Catalini, Sara; Bottari, Cettina; Gessini, Alessandro; Masciovecchio, C.

doi:10.1117/12.2529172

Cited by 6 publications

(15 citation statements)

References 40 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The linear frequency shift observed for AI and AIII Raman signals (insets (a) and (c) in Figure 3 ) reflects the effect of thermal motion on the oscillator strength associated with the peptide link [ 41 , 42 ] that is modulated by the perturbation induced on the hydrogen bonding at the carbonyl and amide sites of GPG-NH 2 . The same effect has been observed previously in other peptide–water systems [ 37 , 38 , 42 ].…”

Section: Discussionsupporting

confidence: 89%

“…The multi-wavelength UVRR spectra of peptides collected using different excitation wavelengths are rich in information thanks to the quite different UV absorption bands of the various chromophores of the polypeptide chains [ 29 , 36 , 37 , 38 ]. Figure 2 displays the UVRR spectra obtained with 266 and 226 nm as the excitation wavelengths of the lyophilized powder of GPG-NH 2 and of the aqueous solutions of the tripeptide.…”

Section: Resultsmentioning

confidence: 99%

See 1 more Smart Citation

Hydrogen Bonding and Solvation of a Proline-Based Peptide Model in Salt Solutions

Catalini¹,

Rossi

Tortora

et al. 2021

Life

Self Cite

View full text Add to dashboard Cite

The hydrogen bonding of water and water/salt mixtures around the proline-based tripeptide model glycyl-l-prolyl-glycinamide·HCl (GPG-NH2) is investigated here by multi-wavelength UV resonance Raman spectroscopy (UVRR) to clarify the role of ion–peptide interactions in affecting the conformational stability of this peptide. The unique sensitivity and selectivity of the UVRR technique allow us to efficiently probe the hydrogen bond interaction between water molecules and proline residues in different solvation conditions, along with its influence on trans to cis isomerism in the hydrated tripeptide. The spectroscopic data suggest a relevant role played by the cations in altering the solvation shell at the carbonyl site of proline., while the fluoride and chloride anions were found to promote the establishment of the strongest interactions on the C=O site of proline. This latter effect is reflected in the greater stabilization of the trans conformers of the tripeptide in the presence of these specific ions. The molecular view provided by UVRR experiments was complemented by the results of circular dichroism (CD) measurements that show a strong structural stabilizing effect on the β-turn motif of GPG-NH2 observed in the presence of KF as a co-solute.

show abstract

Section: Discussionsupporting

confidence: 89%

Section: Resultsmentioning

confidence: 99%

Hydrogen Bonding and Solvation of a Proline-Based Peptide Model in Salt Solutions

Catalini¹,

Rossi

Tortora

et al. 2021

Life

Self Cite

View full text Add to dashboard Cite

show abstract

“…Nonetheless, the separation of the regions allows us to recognize that if the threshold of the intensities is lowered, it would be possible to find more enhanced peaks, as seen in the green patches of the RREP maps. While one might argue that this sacrifice in intensity jeopardizes the aim of the detection, for finely tunable devices (like a synchrotron source) used to carry out UVRR experiments, the exploitable range of incident wavelengths is 127-280 nm and moreover, the spectral resolution can be set up for synchrotron radiation-based UVRR experiments in order to have a sufficiently high signal to noise ratio [70,[89][90][91].…”

Section: Resonance Ramanmentioning

confidence: 99%

Ring Vibrations to Sense Anionic Ibuprofen in Aqueous Solution as Revealed by Resonance Raman

et al. 2022

View full text Add to dashboard Cite

We unravel the potentialities of resonance Raman spectroscopy to detect ibuprofen in diluted aqueous solutions. In particular, we exploit a fully polarizable quantum mechanics/molecular mechanics (QM/MM) methodology based on fluctuating charges coupled to molecular dynamics (MD) in order to take into account the dynamical aspects of the solvation phenomenon. Our findings, which are discussed in light of a natural bond orbital (NBO) analysis, reveal that a selective enhancement of the Raman signal due to the normal mode associated with the C–C stretching in the ring, νC=C, can be achieved by properly tuning the incident wavelength, thus facilitating the recognition of ibuprofen in water samples.

show abstract

“…Most recently, a few researchers utilized a synchrotron generated tunable DUV light source for UVRR. [12,13] Our group at the University of Pittsburgh pioneered the development and application of multiple DUV lasers for UVRR spectroscopy. During the early 1980s, Asher and coworkers developed UVRR spectrometers that utilized the frequency doubled and mixed output of dye lasers pumped by the second or third harmonics of Nd: YAG lasers.…”

Section: Introductionmentioning

confidence: 99%

“…Most recently, a few researchers utilized a synchrotron generated tunable DUV light source for UVRR. [ 12,13 ]…”

Section: Introductionmentioning

confidence: 99%

228‐nm quadrupled quasi‐three‐level Nd:GdVO₄ laser for ultraviolet resonance Raman spectroscopy of explosives and biological molecules

Bykov

Roppel

Mao

et al. 2020

J Raman Spectroscopy

View full text Add to dashboard Cite

We describe a new compact diode-pumped solid-state frequency quadrupled quasi-three-level neodymium-doped gadolinium vanadate (Nd:GdVO 4) laser that generates $50 mW of 228-nm quasi-continuous wave light as ns pulses at a tunable kilohertz repetition rate. We developed two generations of this laser. The first generation has a high duty cycle and a tunable repetition rate. The second generation is optimized for maximum output power. We utilize these new lasers to measure ultraviolet resonance Raman (UVRR) spectra of many important chromophores that absorb in deep ultraviolet (UV). We demonstrate the utility of this excitation by measuring the 228-nm absolute differential Raman cross sections of explosives, peptides, aromatic amino acids, and DNA/RNA nucleotides. Deep UV excitation at 228 nm occurs within the π ! π* electronic transitions of these molecules. The 228-nm resonance excitation enhances the Raman intensities of vibrations of NO x groups, peptide bonds, aromatic amino acid side chains, and DNA/RNA nucleotides. The measured 228-nm UVRR cross sections of these molecules are 10 3-10 4 fold greater than those excited in the visible spectral region. These new lasers should be of great interest for UVRR spectroscopy and for other applications that benefit from compact, high average power deep UV laser light sources with low peak powers.

show abstract

Frontiers of UV resonant raman spectroscopy by using synchrotron radiation: the case of aqueous solvation of model peptides

Cited by 6 publications

References 40 publications

Hydrogen Bonding and Solvation of a Proline-Based Peptide Model in Salt Solutions

Hydrogen Bonding and Solvation of a Proline-Based Peptide Model in Salt Solutions

Ring Vibrations to Sense Anionic Ibuprofen in Aqueous Solution as Revealed by Resonance Raman

228‐nm quadrupled quasi‐three‐level Nd:GdVO₄ laser for ultraviolet resonance Raman spectroscopy of explosives and biological molecules

Contact Info

Product

Resources

About

Frontiers of UV resonant raman spectroscopy by using synchrotron radiation: the case of aqueous solvation of model peptides

Cited by 6 publications

References 40 publications

Hydrogen Bonding and Solvation of a Proline-Based Peptide Model in Salt Solutions

Hydrogen Bonding and Solvation of a Proline-Based Peptide Model in Salt Solutions

Ring Vibrations to Sense Anionic Ibuprofen in Aqueous Solution as Revealed by Resonance Raman

228‐nm quadrupled quasi‐three‐level Nd:GdVO4 laser for ultraviolet resonance Raman spectroscopy of explosives and biological molecules

Contact Info

Product

Resources

About

228‐nm quadrupled quasi‐three‐level Nd:GdVO₄ laser for ultraviolet resonance Raman spectroscopy of explosives and biological molecules