Liquid-phase mega-electron-volt ultrafast electron diffraction
Abstract
The conversion of light into usable chemical and mechanical energy is pivotal to several biological and chemical processes, many of which occur in solution. To understand the structure–function relationships mediating these processes, a technique with high spatial and temporal resolutions is required. Here, we report on the design and commissioning of a liquid-phase mega-electron-volt (MeV) ultrafast electron diffraction instrument for the study of structural dynamics in solution. Limitations posed by the shallow penetration depth of electrons and the resulting information loss due to multiple scattering and the technical challenge of delivering liquids to vacuum were overcome through the use of MeV electrons and a gas-accelerated thin liquid sheet jet. To demonstrate the capabilities of this instrument, the structure of water and its network were resolved up to the 3rd hydration shell with a spatial resolution of 0.6 Å; preliminary time-resolved experiments demonstrated a temporal resolution of 200 fs.
- Authors:
-
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- Univ. of Nebraska-Lincoln, NE (United States)
- Stanford Univ., Stanford, CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford PULSE Inst.
- SLAC National Accelerator Lab., Menlo Park, CA (United States)
- SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford PULSE Inst.
- Univ. of Nebraska-Lincoln, Lincoln, NE (United States)
- Stanford Univ., CA (United States). Dept. of Physics
- Stony Brook Univ., NY (United States). Dept. of Physics and Astronomy
- SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford PULSE Inst.; SLAC National Accelerator Lab., Menlo Park, CA (United States)
- Publication Date:
- Research Org.:
- SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division; Melvin and Joan Lane Stanford Graduate Fellowship
- OSTI Identifier:
- 1601104
- Alternate Identifier(s):
- OSTI ID: 1603722
- Grant/Contract Number:
- AC02-76SF00515; AC02-05-CH11231; SC0014170; AC0276SF00515
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Structural Dynamics
- Additional Journal Information:
- Journal Volume: 7; Journal Issue: 2; Journal ID: ISSN 2329-7778
- Publisher:
- American Crystallographic Association/AIP
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS
Citation Formats
Nunes, J. P. F., Ledbetter, K., Lin, M., Kozina, M., DePonte, D. P., Biasin, E., Centurion, M., Crissman, C. J., Dunning, M., Guillet, S., Jobe, K., Liu, Y., Mo, M., Shen, X., Sublett, R., Weathersby, S., Yoneda, C., Wolf, Thomas J. A., Yang, J., Cordones, A. A., and Wang, X. J. Liquid-phase mega-electron-volt ultrafast electron diffraction. United States: N. p., 2020.
Web. doi:10.1063/1.5144518.
Nunes, J. P. F., Ledbetter, K., Lin, M., Kozina, M., DePonte, D. P., Biasin, E., Centurion, M., Crissman, C. J., Dunning, M., Guillet, S., Jobe, K., Liu, Y., Mo, M., Shen, X., Sublett, R., Weathersby, S., Yoneda, C., Wolf, Thomas J. A., Yang, J., Cordones, A. A., & Wang, X. J. Liquid-phase mega-electron-volt ultrafast electron diffraction. United States. https://doi.org/10.1063/1.5144518
Nunes, J. P. F., Ledbetter, K., Lin, M., Kozina, M., DePonte, D. P., Biasin, E., Centurion, M., Crissman, C. J., Dunning, M., Guillet, S., Jobe, K., Liu, Y., Mo, M., Shen, X., Sublett, R., Weathersby, S., Yoneda, C., Wolf, Thomas J. A., Yang, J., Cordones, A. A., and Wang, X. J. Mon .
"Liquid-phase mega-electron-volt ultrafast electron diffraction". United States. https://doi.org/10.1063/1.5144518. https://www.osti.gov/servlets/purl/1601104.
@article{osti_1601104,
title = {Liquid-phase mega-electron-volt ultrafast electron diffraction},
author = {Nunes, J. P. F. and Ledbetter, K. and Lin, M. and Kozina, M. and DePonte, D. P. and Biasin, E. and Centurion, M. and Crissman, C. J. and Dunning, M. and Guillet, S. and Jobe, K. and Liu, Y. and Mo, M. and Shen, X. and Sublett, R. and Weathersby, S. and Yoneda, C. and Wolf, Thomas J. A. and Yang, J. and Cordones, A. A. and Wang, X. J.},
abstractNote = {The conversion of light into usable chemical and mechanical energy is pivotal to several biological and chemical processes, many of which occur in solution. To understand the structure–function relationships mediating these processes, a technique with high spatial and temporal resolutions is required. Here, we report on the design and commissioning of a liquid-phase mega-electron-volt (MeV) ultrafast electron diffraction instrument for the study of structural dynamics in solution. Limitations posed by the shallow penetration depth of electrons and the resulting information loss due to multiple scattering and the technical challenge of delivering liquids to vacuum were overcome through the use of MeV electrons and a gas-accelerated thin liquid sheet jet. To demonstrate the capabilities of this instrument, the structure of water and its network were resolved up to the 3rd hydration shell with a spatial resolution of 0.6 Å; preliminary time-resolved experiments demonstrated a temporal resolution of 200 fs.},
doi = {10.1063/1.5144518},
journal = {Structural Dynamics},
number = 2,
volume = 7,
place = {United States},
year = {Mon Mar 09 00:00:00 EDT 2020},
month = {Mon Mar 09 00:00:00 EDT 2020}
}
Web of Science
Works referenced in this record:
Liquid-Phase Electron Microscopy with Controllable Liquid Thickness
journal, June 2019
- Keskin, Sercan; Kunnas, Peter; de Jonge, Niels
- Nano Letters, Vol. 19, Issue 7
Heterogeneous to homogeneous melting transition visualized with ultrafast electron diffraction
journal, June 2018
- Mo, M. Z.; Chen, Z.; Li, R. K.
- Science, Vol. 360, Issue 6396
Towards ETEM serial crystallography: Electron diffraction from liquid jets
journal, June 2011
- Deponte, D. P.; Mckeown, J. T.; Weierstall, U.
- Ultramicroscopy, Vol. 111, Issue 7
Ultrafast Electron Diffraction and Structural Dynamics: Transient Intermediates in the Elimination Reaction of C 2 F 4 I 2
journal, April 2002
- Ihee, Hyotcherl; Goodson, Boyd M.; Srinivasan, Ramesh
- The Journal of Physical Chemistry A, Vol. 106, Issue 16
elsepa—Dirac partial-wave calculation of elastic scattering of electrons and positrons by atoms, positive ions and molecules
journal, January 2005
- Salvat, Francesc; Jablonski, Aleksander; Powell, Cedric J.
- Computer Physics Communications, Vol. 165, Issue 2
The photochemical ring-opening of 1,3-cyclohexadiene imaged by ultrafast electron diffraction
journal, April 2019
- Wolf, T. J. A.; Sanchez, D. M.; Yang, J.
- Nature Chemistry, Vol. 11, Issue 6
On the calculation of x-ray scattering signals from pairwise radial distribution functions
journal, November 2015
- Dohn, Asmus O.; Biasin, Elisa; Haldrup, Kristoffer
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 48, Issue 24
Ultrafast X-ray probing of water structure below the homogeneous ice nucleation temperature
journal, June 2014
- Sellberg, J. A.; Huang, C.; McQueen, T. A.
- Nature, Vol. 510, Issue 7505
Molecular dynamics with coupling to an external bath
journal, October 1984
- Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.
- The Journal of Chemical Physics, Vol. 81, Issue 8
More accurate X-ray scattering data of deeply supercooled bulk liquid water
journal, January 2011
- Neuefeind, J.; Benmore, C. J.; Weber, J. K. R.
- Molecular Physics, Vol. 109, Issue 2
Ultrafast time-resolved electron diffraction with megavolt electron beams
journal, October 2006
- Hastings, J. B.; Rudakov, F. M.; Dowell, D. H.
- Applied Physics Letters, Vol. 89, Issue 18
GROMACS: Fast, flexible, and free
journal, January 2005
- Van Der Spoel, David; Lindahl, Erik; Hess, Berk
- Journal of Computational Chemistry, Vol. 26, Issue 16
Mega-electron-volt ultrafast electron diffraction at SLAC National Accelerator Laboratory
journal, July 2015
- Weathersby, S. P.; Brown, G.; Centurion, M.
- Review of Scientific Instruments, Vol. 86, Issue 7
Bond Dissociation Triggering Molecular Disorder in Amorphous H 2 O
journal, November 2018
- Hada, Masaki; Shigeeda, Yuho; Koshihara, Shin-ya
- The Journal of Physical Chemistry A, Vol. 122, Issue 49
Anomalous Behavior of the Homogeneous Ice Nucleation Rate in “No-Man’s Land”
journal, July 2015
- Laksmono, Hartawan; McQueen, Trevor A.; Sellberg, Jonas A.
- The Journal of Physical Chemistry Letters, Vol. 6, Issue 14
High flow rate nanofluidics for in-liquid electron microscopy and diffraction
journal, July 2019
- Petruk, Ariel A.; Allen, Caroline; Rivas, Nicolás
- Nanotechnology, Vol. 30, Issue 39
Electron inelastic mean free path formula and CSDA-range calculation in biological compounds for low and intermediate energies
journal, May 2006
- Akar, Ayşegül; Gümüş, Hasan; Okumuşoğlu, Nazmi T.
- Applied Radiation and Isotopes, Vol. 64, Issue 5
Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew
journal, May 2004
- Horn, Hans W.; Swope, William C.; Pitera, Jed W.
- The Journal of Chemical Physics, Vol. 120, Issue 20
Topical Review: Molecular reaction and solvation visualized by time-resolved X-ray solution scattering: Structure, dynamics, and their solvent dependence
journal, January 2014
- Hwan Kim, Kyung; Kim, Jeongho; Hyuk Lee, Jae
- Structural Dynamics, Vol. 1, Issue 1
Dynamics of Light Harvesting in Photosynthesis
journal, May 2009
- Cheng, Yuan-Chung; Fleming, Graham R.
- Annual Review of Physical Chemistry, Vol. 60, Issue 1
Diffractive imaging of a rotational wavepacket in nitrogen molecules with femtosecond megaelectronvolt electron pulses
journal, April 2016
- Yang, Jie; Guehr, Markus; Vecchione, Theodore
- Nature Communications, Vol. 7, Issue 1
Nanofluidic Cells with Controlled Pathlength and Liquid Flow for Rapid, High-Resolution In Situ Imaging with Electrons
journal, June 2013
- Mueller, C.; Harb, M.; Dwyer, J. R.
- The Journal of Physical Chemistry Letters, Vol. 4, Issue 14
A direct electron detector for time-resolved MeV electron microscopy
journal, March 2017
- Vecchione, T.; Denes, P.; Jobe, R. K.
- Review of Scientific Instruments, Vol. 88, Issue 3
Ultrafast Electron Crystallography of Interfacial Water
journal, April 2004
- Ruan, C. -Y.
- Science, Vol. 304, Issue 5667
The radial distribution functions of water and ice from 220 to 673 K and at pressures up to 400 MPa
journal, August 2000
- Soper, A. K.
- Chemical Physics, Vol. 258, Issue 2-3
Parametric study on impinging-jet liquid sheet thickness distribution using an interferometric method
journal, July 2001
- Choo, Y. J.; Kang, B. S.
- Experiments in Fluids, Vol. 31, Issue 1
Device design and flow scaling for liquid sheet jets
journal, November 2018
- Ha, Byunghang; DePonte, Daniel P.; Santiago, Juan G.
- Physical Review Fluids, Vol. 3, Issue 11
Generation and characterization of ultrathin free-flowing liquid sheets
journal, April 2018
- Koralek, Jake D.; Kim, Jongjin B.; Brůža, Petr
- Nature Communications, Vol. 9, Issue 1
Benchmark oxygen-oxygen pair-distribution function of ambient water from x-ray diffraction measurements with a wide Q -range
journal, February 2013
- Skinner, Lawrie B.; Huang, Congcong; Schlesinger, Daniel
- The Journal of Chemical Physics, Vol. 138, Issue 7
Diffraction and IR/Raman data do not prove tetrahedral water
journal, August 2008
- Leetmaa, Mikael; Wikfeldt, Kjartan Thor; Ljungberg, Mathias P.
- The Journal of Chemical Physics, Vol. 129, Issue 8
Thymine Dimerization in DNA Is an Ultrafast Photoreaction
journal, February 2007
- Schreier, W. J.; Schrader, T. E.; Koller, F. O.
- Science, Vol. 315, Issue 5812
Investigation of amorphous materials by electron diffraction — The effects of multiple scattering
journal, January 1988
- Anstis, G. R.; Liu, Z.; Lake, M.
- Ultramicroscopy, Vol. 26, Issue 1-2
Ultrafast X-ray Diffraction of Transient Molecular Structures in Solution
journal, August 2005
- Ihee, H.
- Science, Vol. 309, Issue 5738
VMD: Visual molecular dynamics
journal, February 1996
- Humphrey, William; Dalke, Andrew; Schulten, Klaus
- Journal of Molecular Graphics, Vol. 14, Issue 1
Electron diffraction on liquid water
journal, March 1974
- Lengyel, SÁNdor; KÁLmÁN, Erika
- Nature, Vol. 248, Issue 5447
Diffractive imaging of dissociation and ground-state dynamics in a complex molecule
journal, August 2019
- Wilkin, Kyle J.; Parrish, Robert M.; Yang, Jie
- Physical Review A, Vol. 100, Issue 2
Ultrafast Electron Diffraction (UED): A New Development for the 4D Determination of Transient Molecular Structures
journal, June 2003
- Srinivasan, Ramesh; Lobastov, Vladimir A.; Ruan, Chong-Yu
- Helvetica Chimica Acta, Vol. 86, Issue 6
A molecular beam study of the evaporation of water from a liquid jet
journal, June 1988
- Faubel, M.; Schlemmer, S.; Toennies, J. P.
- Zeitschrift f�r Physik D Atoms, Molecules and Clusters, Vol. 10, Issue 2-3
Conical intersection dynamics of the primary photoisomerization event in vision
journal, September 2010
- Polli, Dario; Altoè, Piero; Weingart, Oliver
- Nature, Vol. 467, Issue 7314
X-ray and Neutron Scattering of Water
journal, April 2016
- Amann-Winkel, Katrin; Bellissent-Funel, Marie-Claire; Bove, Livia E.
- Chemical Reviews, Vol. 116, Issue 13
elsepa—Dirac partial-wave calculation of elastic scattering of electrons and positrons by atoms, positive ions and molecules
dataset, January 2019
- Salvat, Francesc
- Mendeley
elsepa—Dirac partial-wave calculation of elastic scattering of electrons and positrons by atoms, positive ions and molecules
dataset, January 2019
- Salvat, Francesc
- Mendeley
Ultrafast Electron Diffraction (UED). A New Development for the 4D Determination of Transient Molecular Structures
journal, October 2003
- Srinivasan, Ramesh; Lobastov, Vladimir A.; Ruan, Chong-Yu
- ChemInform, Vol. 34, Issue 40
Investigation of amorphous materials by electron diffraction — The effects of multiple scattering
journal, January 1988
- Anstis, G. R.; Liu, Z.; Lake, M.
- Ultramicroscopy, Vol. 26, Issue 1-2
Electron inelastic mean free path formula and CSDA-range calculation in biological compounds for low and intermediate energies
journal, May 2006
- Akar, Ayşegül; Gümüş, Hasan; Okumuşoğlu, Nazmi T.
- Applied Radiation and Isotopes, Vol. 64, Issue 5
X-ray and Neutron Scattering of Water
journal, April 2016
- Amann-Winkel, Katrin; Bellissent-Funel, Marie-Claire; Bove, Livia E.
- Chemical Reviews, Vol. 116, Issue 13
Liquid-Phase Electron Microscopy with Controllable Liquid Thickness
journal, June 2019
- Keskin, Sercan; Kunnas, Peter; de Jonge, Niels
- Nano Letters, Vol. 19, Issue 7
Ultrafast Electron Diffraction and Structural Dynamics: Transient Intermediates in the Elimination Reaction of C 2 F 4 I 2
journal, April 2002
- Ihee, Hyotcherl; Goodson, Boyd M.; Srinivasan, Ramesh
- The Journal of Physical Chemistry A, Vol. 106, Issue 16
Conical intersection dynamics of the primary photoisomerization event in vision
journal, September 2010
- Polli, Dario; Altoè, Piero; Weingart, Oliver
- Nature, Vol. 467, Issue 7314
Ultrafast X-ray probing of water structure below the homogeneous ice nucleation temperature
journal, June 2014
- Sellberg, J. A.; Huang, C.; McQueen, T. A.
- Nature, Vol. 510, Issue 7505
Generation and characterization of ultrathin free-flowing liquid sheets
journal, April 2018
- Koralek, Jake D.; Kim, Jongjin B.; Brůža, Petr
- Nature Communications, Vol. 9, Issue 1
Stepwise gating of the Sec61 protein-conducting channel by Sec63 and Sec62
journal, January 2021
- Itskanov, Samuel; Kuo, Katie M.; Gumbart, James C.
- Nature Structural & Molecular Biology, Vol. 28, Issue 2
Introducing a standard method for experimental determination of the solvent response in laser pump, X-ray probe time-resolved wide-angle X-ray scattering experiments on systems in solution
journal, January 2013
- Kjær, Kasper Skov; van Driel, Tim B.; Kehres, Jan
- Phys. Chem. Chem. Phys., Vol. 15, Issue 36
Femtosecond gas phase electron diffraction with MeV electrons
journal, January 2016
- Yang, Jie; Guehr, Markus; Vecchione, Theodore
- Faraday Discussions, Vol. 194
Development of an improved four-site water model for biomolecular simulations: TIP4P-Ew
journal, May 2004
- Horn, Hans W.; Swope, William C.; Pitera, Jed W.
- The Journal of Chemical Physics, Vol. 120, Issue 20
Ultrafast time-resolved electron diffraction with megavolt electron beams
journal, October 2006
- Hastings, J. B.; Rudakov, F. M.; Dowell, D. H.
- Applied Physics Letters, Vol. 89, Issue 18
Diffraction and IR/Raman data do not prove tetrahedral water
journal, August 2008
- Leetmaa, Mikael; Wikfeldt, Kjartan Thor; Ljungberg, Mathias P.
- The Journal of Chemical Physics, Vol. 129, Issue 8
Benchmark oxygen-oxygen pair-distribution function of ambient water from x-ray diffraction measurements with a wide Q -range
journal, February 2013
- Skinner, Lawrie B.; Huang, Congcong; Schlesinger, Daniel
- The Journal of Chemical Physics, Vol. 138, Issue 7
Topical Review: Molecular reaction and solvation visualized by time-resolved X-ray solution scattering: Structure, dynamics, and their solvent dependence
journal, January 2014
- Hwan Kim, Kyung; Kim, Jeongho; Hyuk Lee, Jae
- Structural Dynamics, Vol. 1, Issue 1
Mega-electron-volt ultrafast electron diffraction at SLAC National Accelerator Laboratory
journal, July 2015
- Weathersby, S. P.; Brown, G.; Centurion, M.
- Review of Scientific Instruments, Vol. 86, Issue 7
A direct electron detector for time-resolved MeV electron microscopy
journal, March 2017
- Vecchione, T.; Denes, P.; Jobe, R. K.
- Review of Scientific Instruments, Vol. 88, Issue 3
On the calculation of x-ray scattering signals from pairwise radial distribution functions
journal, November 2015
- Dohn, Asmus O.; Biasin, Elisa; Haldrup, Kristoffer
- Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 48, Issue 24
High flow rate nanofluidics for in-liquid electron microscopy and diffraction
journal, July 2019
- Petruk, Ariel A.; Allen, Caroline; Rivas, Nicolás
- Nanotechnology, Vol. 30, Issue 39
Analysis of time-resolved X-ray scattering data from solution-state systems
journal, February 2010
- Haldrup, Kristoffer; Christensen, Morten; Meedom Nielsen, Martin
- Acta Crystallographica Section A Foundations of Crystallography, Vol. 66, Issue 2
Ultrafast Electron Crystallography of Interfacial Water
journal, April 2004
- Ruan, C. -Y.
- Science, Vol. 304, Issue 5667
Ultrafast X-ray Diffraction of Transient Molecular Structures in Solution
journal, August 2005
- Ihee, H.
- Science, Vol. 309, Issue 5738
Thymine Dimerization in DNA Is an Ultrafast Photoreaction
journal, February 2007
- Schreier, W. J.; Schrader, T. E.; Koller, F. O.
- Science, Vol. 315, Issue 5812
Heterogeneous to homogeneous melting transition visualized with ultrafast electron diffraction
journal, June 2018
- Mo, M. Z.; Chen, Z.; Li, R. K.
- Science, Vol. 360, Issue 6396
tinyMD: A Portable and Scalable Implementation for Pairwise Interactions Simulations
preprint, January 2020
- Machado, Rafael Ravedutti L.; Schmitt, Jonas; Eibl, Sebastian
- arXiv