Laser desorption supersonic jet spectroscopy of hydrated tyrosine June 18th, 2013 Hikari OBA Tokyo Tech, Japan.

Laser desorption supersonic jet spectroscopy of hydrated tyrosine

June 18th, 2013

Hikari OBA

Tokyo Tech, Japan

Cooperative effect of hydrogen bond

*R. Nathaniel Pribble, et al.J. Chem. Phys., 106, 2145 (1997).

Bz-(MeOH)1

Bz-(MeOH)2

Why tyrosine-water cluster ?

Phenylalanine X

Tyrosine XR

Dopa

different ! almost same

[1]　 L. C. Snoek, et al., CPL, 2000 321 49. [2] Y. Shimozono, et al., PCCP, 2013, 15, 5163. [3] S. Ishiuchi, et al., PCCP, 2011, 13, 7812

Why tyrosine-water cluster ?

Stronger H-bond

To Investigate cooperative effect of separate hydrogen bond

more enhanced ?

Dopa

weaker H-bond

Tyr XR-(H2O)1

Laser desorption supersonic jet

REMPI and IR dip spectroscopyREMPI IR dip

REMPI spectra

bands 1bands 2

[1] Y. Shimozono, et al., PCCP, 2013, 15, 5163

[1]

REMPI

A)

B)

Different structures!

IR dip spectra of Tyr-(H2O)1 cluster

Assignment of water binding site

free OHH-bonded OH

*　 T. Ebata, et al., International Journal of Mass Spectrometry and Ion Processes, 1996, 159, 111.

*

A)

B)

Tyr-(H2O)1

Phenol

Phenol-(H2O)1

*

Assignment of water binding site

bands 1bands 2 (phenolic OH bound)

Assignment of conformation of tyrosine-(H2O)1

Tyr XR-(H2O)1

Tyr XR

Tyr XR-(H2O)1

[1]

[1] Y. Shimozono, et al., PCCP, 2013, 15, 5163

phenolic OH bound

Phe X

Tyr XR

Dopa

Tyr XR-(H2O)1

Comparison of the effect on hydrogen bond in amino acid

stronger H-bond

weaker H-bond

This work !

?

Importance of direction of dipole moments

Dopa

Tyr XR-(H2O)1

Different direction !

Summary

REMPI and IR dip spectra of tyrosine-(H2O)1 were measured.

Direction of dipole moments is important to enhance the hydrogen bond strength in cooperative effect.

Acknowledgment

Merci beaucoup !

Ms. Yoko Shimozono

Dr. Shun-ichi Ishiuchi

Prof. Masaaki Fujii Chemical Resources Lab., Tokyo Tech.

Chemical Resources Lab., Tokyo Tech.

Chemical Resources Lab., Tokyo Tech.

Dr. Pierre Çarçabal Institut des Sciences Moléculaires d’Orsay, U. Paris-Sud.

IR-UV Hole Burning spectra

Dipole moment of amino acid site and OH site

REMPI spectra of Tyr, Tyr-(H2O)1, Dopa

Assignment of conformation

A)

B)

Amino acid bound Phenolic OH bound

IR spectra of 12 conformers of tyrosine [1]

Assignment of amino acid chain

[1] Y. Shimozono, et al., PCCP, 2013.