Search Menu
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scholarly Publications

Title: Vibrational spectral signatures of crystalline cellulose using high resolution broadband sum frequency generation vibrational spectroscopy (HR-BB-SFG-VS)

Abstract

Both the C–H and O–H region spectra of crystalline cellulose were studied using the sub-wavenumber high-resolution broadband sum frequency generation vibrational spectroscopy (HR-BB-SFG-VS) for the first time. The resolution of HR-BB-SFG-VS is about 10-times better than conventional scanning SFG-VS and has the capability of measuring the intrinsic spectral lineshape and revealing many more spectral details. With HR-BB-SFG-VS, we found that in cellulose samples from different sources, including Avicel and cellulose crystals isolated from algae Valonia (Iα) and tunicates (Iβ), the spectral signatures in the O–H region were unique for the two allomorphs, i.e. Iα and Iβ, while the spectral signatures in the C–H regions varied in all samples examined. Even though the origin of the different spectral signatures of the crystalline cellulose in the O–H and C–H vibrational frequency regions are yet to be correlated to the structure of cellulose, these results lead to new spectroscopic methods and opportunities to classify and to understand the basic crystalline structures, as well as variations in polymorphism of the crystalline cellulose.

Authors:
 [1];  [2];  [3];  [4];  [5];  [6];  [5];  [4];  [1]
+ Show Author Affiliations
  1. Washington State Univ., Pullman, WA (United States)
  2. Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Chinese Academy of Sciences (CAS), Beijing (China)
  3. Pacific Northwest National Lab. (PNNL), Richland, WA (United States); State Univ. of New York (SUNY), Buffalo, NY (United States)
  4. Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
  5. Georgia Inst. of Technology, Atlanta, GA (United States); Univ. of Tennessee, Knoxville, TN (United States)
  6. National Renewable Energy Lab. (NREL), Golden, CO (United States); Michigan State Univ., East Lansing, MI (United States)
Publication Date:
Research Org.:
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1265728
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Cellulose
Additional Journal Information:
Journal Volume: 22; Journal Issue: 3; Journal ID: ISSN 0969-0239
Publisher:
Springer
Country of Publication:
United States
Language:
English
Subject:
59 BASIC BIOLOGICAL SCIENCES; Cellulose Iα; Cellulose Iβ; Avicel; High resolution broadband sum frequency generation vibrational spectroscopy (HR-BB-SFG-VS)

Citation Formats

Zhang, Libing, Lu, Zhou, Velarde, Luis, Fu, Li, Pu, Yunqiao, Ding, Shi-You, Ragauskas, Arthur, Wang, Hong-Fei, and Yang, Bin. Vibrational spectral signatures of crystalline cellulose using high resolution broadband sum frequency generation vibrational spectroscopy (HR-BB-SFG-VS). United States: N. p., 2015. Web. doi:10.1007/s10570-015-0588-0.
Copy to clipboard
Zhang, Libing, Lu, Zhou, Velarde, Luis, Fu, Li, Pu, Yunqiao, Ding, Shi-You, Ragauskas, Arthur, Wang, Hong-Fei, & Yang, Bin. Vibrational spectral signatures of crystalline cellulose using high resolution broadband sum frequency generation vibrational spectroscopy (HR-BB-SFG-VS). United States. https://doi.org/10.1007/s10570-015-0588-0
Copy to clipboard
Zhang, Libing, Lu, Zhou, Velarde, Luis, Fu, Li, Pu, Yunqiao, Ding, Shi-You, Ragauskas, Arthur, Wang, Hong-Fei, and Yang, Bin. Tue . "Vibrational spectral signatures of crystalline cellulose using high resolution broadband sum frequency generation vibrational spectroscopy (HR-BB-SFG-VS)". United States. https://doi.org/10.1007/s10570-015-0588-0. https://www.osti.gov/servlets/purl/1265728.
Copy to clipboard
@article{osti_1265728,
title = {Vibrational spectral signatures of crystalline cellulose using high resolution broadband sum frequency generation vibrational spectroscopy (HR-BB-SFG-VS)},
author = {Zhang, Libing and Lu, Zhou and Velarde, Luis and Fu, Li and Pu, Yunqiao and Ding, Shi-You and Ragauskas, Arthur and Wang, Hong-Fei and Yang, Bin},
abstractNote = {Both the C–H and O–H region spectra of crystalline cellulose were studied using the sub-wavenumber high-resolution broadband sum frequency generation vibrational spectroscopy (HR-BB-SFG-VS) for the first time. The resolution of HR-BB-SFG-VS is about 10-times better than conventional scanning SFG-VS and has the capability of measuring the intrinsic spectral lineshape and revealing many more spectral details. With HR-BB-SFG-VS, we found that in cellulose samples from different sources, including Avicel and cellulose crystals isolated from algae Valonia (Iα) and tunicates (Iβ), the spectral signatures in the O–H region were unique for the two allomorphs, i.e. Iα and Iβ, while the spectral signatures in the C–H regions varied in all samples examined. Even though the origin of the different spectral signatures of the crystalline cellulose in the O–H and C–H vibrational frequency regions are yet to be correlated to the structure of cellulose, these results lead to new spectroscopic methods and opportunities to classify and to understand the basic crystalline structures, as well as variations in polymorphism of the crystalline cellulose.},
doi = {10.1007/s10570-015-0588-0},
journal = {Cellulose},
number = 3,
volume = 22,
place = {United States},
year = {Tue Mar 03 00:00:00 EST 2015},
month = {Tue Mar 03 00:00:00 EST 2015}
}
Copy to clipboard
Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1007/s10570-015-0588-0
Copyright Statement
Other availability
Search WorldCat Search WorldCat to find libraries that may hold this journal
Citation Metrics:
Cited by: 16 works
Citation information provided by
Web of Science
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Works referenced in this record:

Almost Pure Iα Cellulose in the Cell Wall of Glaucocystis
journal, October 1999

  • Imai, Tomoya; Sugiyama, Junji; Itoh, Takao
  • Journal of Structural Biology, Vol. 127, Issue 3
  • DOI: 10.1006/jsbi.1999.4160

Crystalline cellulose: structure and hydrogen bonds
journal, May 2010

New Method for Determining the Degree of Cellulose I Crystallinity by Means of FT Raman Spectroscopy
journal, June 2005

Undirectional degradation of valonia cellulose microcrystals subjected to cellulase action
journal, May 1985

Solid-state NMR characterization of switchgrass cellulose after dilute acid pretreatment
journal, January 2010

  • Samuel, Reichel; Pu, Yunqiao; Foston, Marcus
  • Biofuels, Vol. 1, Issue 1
  • DOI: 10.4155/bfs.09.17

Infrared spectra of crystalline polysaccharides. II. Native celluloses in the region from 640 to 1700 cm.1
journal, September 1959

Plant Biomass Characterization: Application of Solution- and Solid-State NMR Spectroscopy
book, April 2013

  • Pu, Yunqiao; Hallac, Bassem; Ragauskas, Arthur J.
  • Aqueous Pretreatment of Plant Biomass for Biological and Chemical Conversion to Fuels and Chemicals
  • DOI: 10.1002/9780470975831.ch18

Structural Models for Some Liquid Crystalline Cellulose Derivatives
journal, November 1985

  • Vogt, U.; Zugenmaier, P.
  • Berichte der Bunsengesellschaft für physikalische Chemie, Vol. 89, Issue 11
  • DOI: 10.1002/bbpc.19850891120

Biomass Recalcitrance: Engineering Plants and Enzymes for Biofuels Production
journal, February 2007

  • Himmel, M. E.; Ding, S.-Y.; Johnson, D. K.
  • Science, Vol. 315, Issue 5813, p. 804-807
  • DOI: 10.1126/science.1137016

Molecular ordering of cellulose after extraction of polysaccharides from primary cell walls of Arabidopsisthaliana: a solid-state CP/MAS 13C NMR study
journal, April 2002

Structure of Cellulose Microfibrils in Primary Cell Walls from Collenchyma
journal, November 2012

  • Thomas, Lynne H.; Forsyth, V. Trevor; Šturcová, Adriana
  • Plant Physiology, Vol. 161, Issue 1
  • DOI: 10.1104/pp.112.206359

Vibrational Polarization Spectroscopy of CH Stretching Modes of the Methylene Group at the Vapor/Liquid Interfaces with Sum Frequency Generation
journal, June 2004

  • Lu, Rong; Gan, Wei; Wu, Bao-hua
  • The Journal of Physical Chemistry B, Vol. 108, Issue 22
  • DOI: 10.1021/jp036674o

Solid-State 13C NMR Investigation of Molecular Ordering in the Cellulose of Apple Cell Walls
journal, July 1994

  • Newman, Roger H.; Ha, Marie-Ann; Melton, Laurence D.
  • Journal of Agricultural and Food Chemistry, Vol. 42, Issue 7
  • DOI: 10.1021/jf00043a002

Surface and Interface Spectroscopy of High Explosives and Binders: HMX and Estane
journal, April 2006

  • Kim, Hackjin; Lagutchev, Alexei; Dlott, Dana D.
  • Propellants, Explosives, Pyrotechnics, Vol. 31, Issue 2
  • DOI: 10.1002/prep.200600017

Structure and Interactions of Plant Cell-Wall Polysaccharides by Two- and Three-Dimensional Magic-Angle-Spinning Solid-State NMR
journal, February 2011

  • Dick-Pérez, Marilú; Zhang, Yuan; Hayes, Jennifer
  • Biochemistry, Vol. 50, Issue 6
  • DOI: 10.1021/bi101795q

Nanostructure of cellulose microfibrils in spruce wood
journal, November 2011

  • Fernandes, A. N.; Thomas, L. H.; Altaner, C. M.
  • Proceedings of the National Academy of Sciences, Vol. 108, Issue 47
  • DOI: 10.1073/pnas.1108942108

Versatile derivatives of carbohydrate-binding modules for imaging of complex carbohydrates approaching the molecular level of resolution
journal, October 2006

  • Ding, Shi-You; Xu, Qi; Ali, Mursheda K.
  • BioTechniques, Vol. 41, Issue 4
  • DOI: 10.2144/000112244

Toward a Systems Approach to Understanding Plant Cell Walls
journal, December 2004

Surface Studies of Aqueous Methanol Solutions by Vibrational Broad Bandwidth Sum Frequency Generation Spectroscopy
journal, July 2003

  • Ma, Gang; Allen, Heather C.
  • The Journal of Physical Chemistry B, Vol. 107, Issue 26
  • DOI: 10.1021/jp027364t

C−H Stretching Vibrations of Methyl, Methylene and Methine Groups at the Vapor/Alcohol ( n = 1−8) Interfaces
journal, July 2005

  • Lu, Rong; Gan, Wei; Wu, Bao-hua
  • The Journal of Physical Chemistry B, Vol. 109, Issue 29
  • DOI: 10.1021/jp051565q

Size, shape, and arrangement of native cellulose fibrils in maize cell walls
journal, December 2013

Native Cellulose: A Composite of Two Distinct Crystalline Forms
journal, January 1984

Surface Nonlinear Vibrational Spectroscopy of Energetic Materials:  HMX
journal, February 2007

  • Surber, Eric; Lozano, Aaron; Lagutchev, Alexei
  • The Journal of Physical Chemistry C, Vol. 111, Issue 5
  • DOI: 10.1021/jp066801r

Vibrational Sum-Frequency Spectroscopy for Trace Chemical Detection on Surfaces at Stand-Off Distances
journal, March 2013

  • Asher, William E.; Willard-Schmoe, Ella
  • Applied Spectroscopy, Vol. 67, Issue 3
  • DOI: 10.1366/12-06792

Solid-state CP/MAS carbon-13 NMR study of cellulose polymorphs
journal, July 1989

  • Isogai, Akira; Usuda, Makoto; Kato, Takashi
  • Macromolecules, Vol. 22, Issue 7
  • DOI: 10.1021/ma00197a045

Characterization of crystalline cellulose in biomass: Basic principles, applications, and limitations of XRD, NMR, IR, Raman, and SFG
journal, October 2013

  • Kim, Seong H.; Lee, Christopher M.; Kafle, Kabindra
  • Korean Journal of Chemical Engineering, Vol. 30, Issue 12
  • DOI: 10.1007/s11814-013-0162-0

Imaging Cellulose Using Atomic Force Microscopy
book, January 2012

Atomic Force Microscopy Characterization of Cellulose Nanocrystals
journal, March 2010

  • Lahiji, Roya R.; Xu, Xin; Reifenberger, Ronald
  • Langmuir, Vol. 26, Issue 6
  • DOI: 10.1021/la903111j

Enzymatic hydrolysis of cellulosic biomass
journal, July 2011

Mapping molecular orientation and conformation at interfaces by surface nonlinear optics
journal, May 1999

The confirmation of existences of cellulose IIII, IIIII, IVI, and IVII by the X-ray method
journal, January 1975

  • Hayashi, Jisuke; Sufoka, Akinori; Ohkita, Junji
  • Journal of Polymer Science: Polymer Letters Edition, Vol. 13, Issue 1
  • DOI: 10.1002/pol.1975.130130104

Sum-Frequency-Generation Vibration Spectroscopy and Density Functional Theory Calculations with Dispersion Corrections (DFT-D2) for Cellulose Iα and Iβ
journal, May 2013

  • Lee, Christopher M.; Mohamed, Naseer M. A.; Watts, Heath D.
  • The Journal of Physical Chemistry B, Vol. 117, Issue 22
  • DOI: 10.1021/jp402998s

Vibrational circular dichroism (VCD) studies on disaccharides in the CH region: toward discrimination of the glycosidic linkage position
journal, January 2007

  • Taniguchi, Tohru; Monde, Kenji
  • Organic & Biomolecular Chemistry, Vol. 5, Issue 7
  • DOI: 10.1039/b618841a

Monitoring Meso-Scale Ordering of Cellulose in Intact Plant Cell Walls Using Sum Frequency Generation Spectroscopy
journal, August 2013

Cellulose Microcrystal Film of High Uniaxial Orientation
journal, October 1997

  • Yoshiharu, Nishiyama; Shigenori, Kuga; Masahisa, Wada
  • Macromolecules, Vol. 30, Issue 20
  • DOI: 10.1021/ma970503y

Cellulose crystallinity index: measurement techniques and their impact on interpreting cellulase performance
journal, January 2010

  • Park, Sunkyu; Baker, John O.; Himmel, Michael E.
  • Biotechnology for Biofuels, Vol. 3, Issue 1
  • DOI: 10.1186/1754-6834-3-10

Infrared spectra of the crystalline modifications of cellulose
journal, August 1956

CP/MAS -NMR spectroscopy applied to structure and interaction studies on cellulose I
journal, October 1999

  • Larsson, Per Tomas; Hult, Eva-Lena; Wickholm, Kristina
  • Solid State Nuclear Magnetic Resonance, Vol. 15, Issue 1
  • DOI: 10.1016/S0926-2040(99)00044-2

Crystal Structure and Hydrogen Bonding System in Cellulose I α from Synchrotron X-ray and Neutron Fiber Diffraction
journal, November 2003

  • Nishiyama, Yoshiharu; Sugiyama, Junji; Chanzy, Henri
  • Journal of the American Chemical Society, Vol. 125, Issue 47
  • DOI: 10.1021/ja037055w

Ring current enhanced vibrational circular dichroism in the carbon-hydrogen bond stretching motions of sugars
journal, April 1986

  • Paterlini, M. Germana.; Freedman, Teresa B.; Nafie, Laurence A.
  • Journal of the American Chemical Society, Vol. 108, Issue 7
  • DOI: 10.1021/ja00267a005

Quantitative spectral and orientational analysis in surface sum frequency generation vibrational spectroscopy (SFG-VS)
journal, April 2005

  • Wang *, Hong-Fei; Gan † ‡, Wei; Lu † ‡ §, Rong
  • International Reviews in Physical Chemistry, Vol. 24, Issue 2
  • DOI: 10.1080/01442350500225894

Crystalline modifications of cellulose. Part II. A study with plane-polarized infrared radiation
journal, November 1958

Infrared spectrum and crystal structure of cellulose
journal, July 1957

Surface properties probed by second-harmonic and sum-frequency generation
journal, February 1989

Selective Detection of Crystalline Cellulose in Plant Cell Walls with Sum-Frequency-Generation (SFG) Vibration Spectroscopy
journal, July 2011

  • Barnette, Anna L.; Bradley, Laura C.; Veres, Brandon D.
  • Biomacromolecules, Vol. 12, Issue 7
  • DOI: 10.1021/bm200518n

Crystal Structure and Hydrogen-Bonding System in Cellulose Iβ from Synchrotron X-ray and Neutron Fiber Diffraction
journal, August 2002

  • Nishiyama, Yoshiharu; Langan, Paul; Chanzy, Henri
  • Journal of the American Chemical Society, Vol. 124, Issue 31
  • DOI: 10.1021/ja0257319

Orientation of cellulose microcrystals by strong magnetic fields
journal, August 1992

  • Sugiyama, J.; Chanzy, H.; Maret, G.
  • Macromolecules, Vol. 25, Issue 16
  • DOI: 10.1021/ma00042a032

Cellulose Nanocrystals: Chemistry, Self-Assembly, and Applications
journal, June 2010

  • Habibi, Youssef; Lucia, Lucian A.; Rojas, Orlando J.
  • Chemical Reviews, Vol. 110, Issue 6
  • DOI: 10.1021/cr900339w
    Sort by:
    [ × clear filter / sort ]

    Works referencing / citing this record:

    Strengths, challenges, and opportunities for hydrothermal pretreatment in lignocellulosic biorefineries
    journal, October 2017

    • Yang, Bin; Tao, Ling; Wyman, Charles E.
    • Biofuels, Bioproducts and Biorefining, Vol. 12, Issue 1
    • DOI: 10.1002/bbb.1825

    Amorphous cellulose thin films
    journal, February 2020

    High-resolution broadband sum frequency generation vibrational spectroscopy using intrapulse interference
    journal, January 2018

    • Wang, Yang; Ma, Xiangyun; Wang, Huijie
    • Physical Chemistry Chemical Physics, Vol. 20, Issue 32
    • DOI: 10.1039/c8cp02519c

    Flexible pulse shaping for sum frequency microspectroscopies
    journal, December 2019

    • Müller, Niklas; Buckup, Tiago; Motzkus, Marcus
    • Journal of the Optical Society of America B, Vol. 37, Issue 1
    • DOI: 10.1364/josab.37.000117
      Sort by:
      [ × clear filter / sort ]

      Similar Records in DOE PAGES and OSTI.GOV collections: