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

Zhang, Libing; Lu, Zhou; Velarde, Luis; Fu, Li; Pu, Yunqiao; Ding, Shi-You; Ragauskas, Arthur; Wang, Hong-Fei; Yang, Bin

doi:10.1007/s10570-015-0588-0

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

Journal Article · Tue Mar 03 00:00:00 EST 2015 · Cellulose

DOI:https://doi.org/10.1007/s10570-015-0588-0· OSTI ID:1265728

Zhang, Libing ^[1]; Lu, Zhou ^[2]; Velarde, Luis ^[3]; Fu, Li ^[4]; Pu, Yunqiao ^[5]; Ding, Shi-You ^[6]; Ragauskas, Arthur ^[5]; Wang, Hong-Fei ^[4]; Yang, Bin ^[1]

Washington State Univ., Pullman, WA (United States)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Chinese Academy of Sciences (CAS), Beijing (China)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States); State Univ. of New York (SUNY), Buffalo, NY (United States)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Georgia Inst. of Technology, Atlanta, GA (United States); Univ. of Tennessee, Knoxville, TN (United States)
National Renewable Energy Lab. (NREL), Golden, CO (United States); Michigan State Univ., East Lansing, MI (United States)

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.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1265728

Journal Information:: Cellulose, Vol. 22, Issue 3; ISSN 0969-0239

Publisher:: SpringerCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 16 works

Citation information provided by
Web of Science

References (58)

Almost Pure Iα Cellulose in the Cell Wall of Glaucocystis Imai, Tomoya; Sugiyama, Junji; Itoh, Takao Journal of Structural Biology, Vol. 127, Issue 3 https://doi.org/10.1006/jsbi.1999.4160	journal	October 1999
Crystalline cellulose: structure and hydrogen bonds Kovalenko, Valeri I. Russian Chemical Reviews, Vol. 79, Issue 3 https://doi.org/10.1070/RC2010v079n03ABEH004065	journal	May 2010
New Method for Determining the Degree of Cellulose I Crystallinity by Means of FT Raman Spectroscopy Schenzel, Karla; Fischer, Steffen; Brendler, Erica Cellulose, Vol. 12, Issue 3 https://doi.org/10.1007/s10570-004-3885-6	journal	June 2005
Undirectional degradation of valonia cellulose microcrystals subjected to cellulase action Chanzy, Henri; Henrissat, Bernard FEBS Letters, Vol. 184, Issue 2 https://doi.org/10.1016/0014-5793(85)80623-2	journal	May 1985
Solid-state NMR characterization of switchgrass cellulose after dilute acid pretreatment Samuel, Reichel; Pu, Yunqiao; Foston, Marcus Biofuels, Vol. 1, Issue 1 https://doi.org/10.4155/bfs.09.17	journal	January 2010
Infrared spectra of crystalline polysaccharides. II. Native celluloses in the region from 640 to 1700 cm.1 Liang, C. Y.; Marchessault, R. H. Journal of Polymer Science, Vol. 39, Issue 135 https://doi.org/10.1002/pol.1959.1203913521	journal	September 1959
Probing crystal structure and mesoscale assembly of cellulose microfibrils in plant cell walls, tunicate tests, and bacterial films using vibrational Sum Frequency Generation (SFG) spectroscopy Lee, Christopher M.; Kafle, Kabindra; Park, Yong Bum Physical Chemistry Chemical Physics, Vol. 16, Issue 22 https://doi.org/10.1039/c4cp00515e	journal	January 2014
Communication: Spectroscopic phase and lineshapes in high-resolution broadband sum frequency vibrational spectroscopy: Resolving interfacial inhomogeneities of “identical” molecular groups Velarde, Luis; Zhang, Xian-yi; Lu, Zhou The Journal of Chemical Physics, Vol. 135, Issue 24 https://doi.org/10.1063/1.3675629	journal	December 2011
Quantification of crystalline cellulose in lignocellulosic biomass using sum frequency generation (SFG) vibration spectroscopy and comparison with other analytical methods Barnette, Anna L.; Lee, Christopher; Bradley, Laura C. Carbohydrate Polymers, Vol. 89, Issue 3 https://doi.org/10.1016/j.carbpol.2012.04.014	journal	July 2012
Effects of Plant Cell Wall Matrix Polysaccharides on Bacterial Cellulose Structure Studied with Vibrational Sum Frequency Generation Spectroscopy and X-ray Diffraction Park, Yong Bum; Lee, Christopher M.; Kafle, Kabindra Biomacromolecules, Vol. 15, Issue 7 https://doi.org/10.1021/bm500567v	journal	May 2014
Plant Biomass Characterization: Application of Solution- and Solid-State NMR Spectroscopy Pu, Yunqiao; Hallac, Bassem; Ragauskas, Arthur J. Aqueous Pretreatment of Plant Biomass for Biological and Chemical Conversion to Fuels and Chemicals https://doi.org/10.1002/9780470975831.ch18	book	April 2013
Structural Models for Some Liquid Crystalline Cellulose Derivatives Vogt, U.; Zugenmaier, P. Berichte der Bunsengesellschaft für physikalische Chemie, Vol. 89, Issue 11 https://doi.org/10.1002/bbpc.19850891120	journal	November 1985
Biomass Recalcitrance: Engineering Plants and Enzymes for Biofuels Production Himmel, M. E.; Ding, S.-Y.; Johnson, D. K. Science, Vol. 315, Issue 5813, p. 804-807 https://doi.org/10.1126/science.1137016	journal	February 2007
Molecular ordering of cellulose after extraction of polysaccharides from primary cell walls of Arabidopsisthaliana: a solid-state CP/MAS 13C NMR study Davies, Lynette M.; Harris, Philip J.; Newman, Roger H. Carbohydrate Research, Vol. 337, Issue 7 https://doi.org/10.1016/S0008-6215(02)00038-1	journal	April 2002
Structure of Cellulose Microfibrils in Primary Cell Walls from Collenchyma Thomas, Lynne H.; Forsyth, V. Trevor; Šturcová, Adriana Plant Physiology, Vol. 161, Issue 1 https://doi.org/10.1104/pp.112.206359	journal	November 2012
Unique determination of the –CN group tilt angle in Langmuir monolayers using sum-frequency polarization null angle and phase Velarde, Luis; Wang, Hong-fei Chemical Physics Letters, Vol. 585 https://doi.org/10.1016/j.cplett.2013.07.052	journal	October 2013
Vibrational Polarization Spectroscopy of CH Stretching Modes of the Methylene Group at the Vapor/Liquid Interfaces with Sum Frequency Generation Lu, Rong; Gan, Wei; Wu, Bao-hua The Journal of Physical Chemistry B, Vol. 108, Issue 22 https://doi.org/10.1021/jp036674o	journal	June 2004
Solid-State 13C NMR Investigation of Molecular Ordering in the Cellulose of Apple Cell Walls Newman, Roger H.; Ha, Marie-Ann; Melton, Laurence D. Journal of Agricultural and Food Chemistry, Vol. 42, Issue 7 https://doi.org/10.1021/jf00043a002	journal	July 1994
Surface and Interface Spectroscopy of High Explosives and Binders: HMX and Estane Kim, Hackjin; Lagutchev, Alexei; Dlott, Dana D. Propellants, Explosives, Pyrotechnics, Vol. 31, Issue 2 https://doi.org/10.1002/prep.200600017	journal	April 2006
Structure and Interactions of Plant Cell-Wall Polysaccharides by Two- and Three-Dimensional Magic-Angle-Spinning Solid-State NMR Dick-Pérez, Marilú; Zhang, Yuan; Hayes, Jennifer Biochemistry, Vol. 50, Issue 6 https://doi.org/10.1021/bi101795q	journal	February 2011
Nanostructure of cellulose microfibrils in spruce wood Fernandes, A. N.; Thomas, L. H.; Altaner, C. M. Proceedings of the National Academy of Sciences, Vol. 108, Issue 47 https://doi.org/10.1073/pnas.1108942108	journal	November 2011
Versatile derivatives of carbohydrate-binding modules for imaging of complex carbohydrates approaching the molecular level of resolution Ding, Shi-You; Xu, Qi; Ali, Mursheda K. BioTechniques, Vol. 41, Issue 4 https://doi.org/10.2144/000112244	journal	October 2006
Toward a Systems Approach to Understanding Plant Cell Walls Somerville, C. Science, Vol. 306, Issue 5705 https://doi.org/10.1126/science.1102765	journal	December 2004
Surface Studies of Aqueous Methanol Solutions by Vibrational Broad Bandwidth Sum Frequency Generation Spectroscopy Ma, Gang; Allen, Heather C. The Journal of Physical Chemistry B, Vol. 107, Issue 26 https://doi.org/10.1021/jp027364t	journal	July 2003
C−H Stretching Vibrations of Methyl, Methylene and Methine Groups at the Vapor/Alcohol ( n = 1−8) Interfaces Lu, Rong; Gan, Wei; Wu, Bao-hua The Journal of Physical Chemistry B, Vol. 109, Issue 29 https://doi.org/10.1021/jp051565q	journal	July 2005
Size, shape, and arrangement of native cellulose fibrils in maize cell walls Ding, Shi-You; Zhao, Shuai; Zeng, Yining Cellulose, Vol. 21, Issue 2 https://doi.org/10.1007/s10570-013-0147-5	journal	December 2013
Native Cellulose: A Composite of Two Distinct Crystalline Forms Atalla, R. H.; Vanderhart, D. L. Science, Vol. 223, Issue 4633 https://doi.org/10.1126/science.223.4633.283	journal	January 1984
Vibrational sum-frequency-generation (SFG) spectroscopy study of the structural assembly of cellulose microfibrils in reaction woods Kafle, Kabindra; Shi, Rui; Lee, Christopher M. Cellulose, Vol. 21, Issue 4 https://doi.org/10.1007/s10570-014-0322-3	journal	June 2014
Surface Nonlinear Vibrational Spectroscopy of Energetic Materials: HMX Surber, Eric; Lozano, Aaron; Lagutchev, Alexei The Journal of Physical Chemistry C, Vol. 111, Issue 5 https://doi.org/10.1021/jp066801r	journal	February 2007
Vibrational Sum-Frequency Spectroscopy for Trace Chemical Detection on Surfaces at Stand-Off Distances Asher, William E.; Willard-Schmoe, Ella Applied Spectroscopy, Vol. 67, Issue 3 https://doi.org/10.1366/12-06792	journal	March 2013
Solid-state CP/MAS carbon-13 NMR study of cellulose polymorphs Isogai, Akira; Usuda, Makoto; Kato, Takashi Macromolecules, Vol. 22, Issue 7 https://doi.org/10.1021/ma00197a045	journal	July 1989
Characterization of crystalline cellulose in biomass: Basic principles, applications, and limitations of XRD, NMR, IR, Raman, and SFG Kim, Seong H.; Lee, Christopher M.; Kafle, Kabindra Korean Journal of Chemical Engineering, Vol. 30, Issue 12 https://doi.org/10.1007/s11814-013-0162-0	journal	October 2013
Imaging Cellulose Using Atomic Force Microscopy Ding, Shi-You; Liu, Yu-San Methods in Molecular Biology https://doi.org/10.1007/978-1-61779-956-3_3	book	January 2012
Relation of certain infrared bands to cellulose crystallinity and crystal latticed type. Part I. Spectra of lattice types I, II, III and of amorphous cellulose Nelson, Mary L.; O'Connor, Robert T. Journal of Applied Polymer Science, Vol. 8, Issue 3 https://doi.org/10.1002/app.1964.070080322	journal	May 1964
Atomic Force Microscopy Characterization of Cellulose Nanocrystals Lahiji, Roya R.; Xu, Xin; Reifenberger, Ronald Langmuir, Vol. 26, Issue 6 https://doi.org/10.1021/la903111j	journal	March 2010
Enzymatic hydrolysis of cellulosic biomass Yang, Bin; Dai, Ziyu; Ding, Shi-You Biofuels, Vol. 2, Issue 4 https://doi.org/10.4155/bfs.11.116	journal	July 2011
Mapping molecular orientation and conformation at interfaces by surface nonlinear optics Zhuang, X.; Miranda, P. B.; Kim, D. Physical Review B, Vol. 59, Issue 19 https://doi.org/10.1103/PhysRevB.59.12632	journal	May 1999
The confirmation of existences of cellulose IIII, IIIII, IVI, and IVII by the X-ray method Hayashi, Jisuke; Sufoka, Akinori; Ohkita, Junji Journal of Polymer Science: Polymer Letters Edition, Vol. 13, Issue 1 https://doi.org/10.1002/pol.1975.130130104	journal	January 1975
Sum-Frequency-Generation Vibration Spectroscopy and Density Functional Theory Calculations with Dispersion Corrections (DFT-D2) for Cellulose Iα and Iβ Lee, Christopher M.; Mohamed, Naseer M. A.; Watts, Heath D. The Journal of Physical Chemistry B, Vol. 117, Issue 22 https://doi.org/10.1021/jp402998s	journal	May 2013
Cellulose microfibril orientation in onion (Allium cepa L.) epidermis studied by atomic force microscopy (AFM) and vibrational sum frequency generation (SFG) spectroscopy Kafle, Kabindra; Xi, Xiaoning; Lee, Christopher M. Cellulose, Vol. 21, Issue 2 https://doi.org/10.1007/s10570-013-0121-2	journal	December 2013
Vibrational circular dichroism (VCD) studies on disaccharides in the CH region: toward discrimination of the glycosidic linkage position Taniguchi, Tohru; Monde, Kenji Organic & Biomolecular Chemistry, Vol. 5, Issue 7 https://doi.org/10.1039/b618841a	journal	January 2007
Monitoring Meso-Scale Ordering of Cellulose in Intact Plant Cell Walls Using Sum Frequency Generation Spectroscopy Park, Y. B.; Lee, C. M.; Koo, B. -W. PLANT PHYSIOLOGY, Vol. 163, Issue 2 https://doi.org/10.1104/pp.113.225235	journal	August 2013
Cellulose Microcrystal Film of High Uniaxial Orientation Yoshiharu, Nishiyama; Shigenori, Kuga; Masahisa, Wada Macromolecules, Vol. 30, Issue 20 https://doi.org/10.1021/ma970503y	journal	October 1997
Cellulose crystallinity index: measurement techniques and their impact on interpreting cellulase performance Park, Sunkyu; Baker, John O.; Himmel, Michael E. Biotechnology for Biofuels, Vol. 3, Issue 1 https://doi.org/10.1186/1754-6834-3-10	journal	January 2010
Cellulose polymorphism study with sum-frequency-generation (SFG) vibration spectroscopy: identification of exocyclic CH2OH conformation and chain orientation Lee, Christopher M.; Mittal, Ashutosh; Barnette, Anna L. Cellulose, Vol. 20, Issue 3 https://doi.org/10.1007/s10570-013-9917-3	journal	April 2013
Infrared spectra of the crystalline modifications of cellulose Marrinan, H. J.; Mann, J. Journal of Polymer Science, Vol. 21, Issue 98 https://doi.org/10.1002/pol.1956.120219812	journal	August 1956
CP/MAS -NMR spectroscopy applied to structure and interaction studies on cellulose I Larsson, Per Tomas; Hult, Eva-Lena; Wickholm, Kristina Solid State Nuclear Magnetic Resonance, Vol. 15, Issue 1 https://doi.org/10.1016/S0926-2040(99)00044-2	journal	October 1999
Crystal Structure and Hydrogen Bonding System in Cellulose I _α from Synchrotron X-ray and Neutron Fiber Diffraction Nishiyama, Yoshiharu; Sugiyama, Junji; Chanzy, Henri Journal of the American Chemical Society, Vol. 125, Issue 47 https://doi.org/10.1021/ja037055w	journal	November 2003
Ring current enhanced vibrational circular dichroism in the carbon-hydrogen bond stretching motions of sugars Paterlini, M. Germana.; Freedman, Teresa B.; Nafie, Laurence A. Journal of the American Chemical Society, Vol. 108, Issue 7 https://doi.org/10.1021/ja00267a005	journal	April 1986
Quantitative spectral and orientational analysis in surface sum frequency generation vibrational spectroscopy (SFG-VS) Wang *, Hong-Fei; Gan † ‡, Wei; Lu † ‡ §, Rong International Reviews in Physical Chemistry, Vol. 24, Issue 2 https://doi.org/10.1080/01442350500225894	journal	April 2005
Crystalline modifications of cellulose. Part II. A study with plane-polarized infrared radiation Mann, J.; Marrinan, H. J. Journal of Polymer Science, Vol. 32, Issue 125 https://doi.org/10.1002/pol.1958.1203212507	journal	November 1958
Infrared spectrum and crystal structure of cellulose Tsuboi, Masamichi Journal of Polymer Science, Vol. 25, Issue 109 https://doi.org/10.1002/pol.1957.1202510904	journal	July 1957
Surface properties probed by second-harmonic and sum-frequency generation Shen, Y. R. Nature, Vol. 337, Issue 6207 https://doi.org/10.1038/337519a0	journal	February 1989
Selective Detection of Crystalline Cellulose in Plant Cell Walls with Sum-Frequency-Generation (SFG) Vibration Spectroscopy Barnette, Anna L.; Bradley, Laura C.; Veres, Brandon D. Biomacromolecules, Vol. 12, Issue 7 https://doi.org/10.1021/bm200518n	journal	July 2011
Crystal Structure and Hydrogen-Bonding System in Cellulose Iβ from Synchrotron X-ray and Neutron Fiber Diffraction Nishiyama, Yoshiharu; Langan, Paul; Chanzy, Henri Journal of the American Chemical Society, Vol. 124, Issue 31 https://doi.org/10.1021/ja0257319	journal	August 2002
Orientation of cellulose microcrystals by strong magnetic fields Sugiyama, J.; Chanzy, H.; Maret, G. Macromolecules, Vol. 25, Issue 16 https://doi.org/10.1021/ma00042a032	journal	August 1992
Capturing inhomogeneous broadening of the –CN stretch vibration in a Langmuir monolayer with high-resolution spectra and ultrafast vibrational dynamics in sum-frequency generation vibrational spectroscopy (SFG-VS) Velarde, Luis; Wang, Hong-fei The Journal of Chemical Physics, Vol. 139, Issue 8 https://doi.org/10.1063/1.4818996	journal	August 2013
Cellulose Nanocrystals: Chemistry, Self-Assembly, and Applications Habibi, Youssef; Lucia, Lucian A.; Rojas, Orlando J. Chemical Reviews, Vol. 110, Issue 6 https://doi.org/10.1021/cr900339w	journal	June 2010

Cited By (4)

Strengths, challenges, and opportunities for hydrothermal pretreatment in lignocellulosic biorefineries Yang, Bin; Tao, Ling; Wyman, Charles E. Biofuels, Bioproducts and Biorefining, Vol. 12, Issue 1 https://doi.org/10.1002/bbb.1825	journal	October 2017
Amorphous cellulose thin films Lu, Rui; Zhang, Xin; Fu, Li Cellulose, Vol. 27, Issue 6 https://doi.org/10.1007/s10570-020-03043-7	journal	February 2020
High-resolution broadband sum frequency generation vibrational spectroscopy using intrapulse interference Wang, Yang; Ma, Xiangyun; Wang, Huijie Physical Chemistry Chemical Physics, Vol. 20, Issue 32 https://doi.org/10.1039/c8cp02519c	journal	January 2018
Flexible pulse shaping for sum frequency microspectroscopies Müller, Niklas; Buckup, Tiago; Motzkus, Marcus Journal of the Optical Society of America B, Vol. 37, Issue 1 https://doi.org/10.1364/josab.37.000117	journal	December 2019

Similar Records

Vibrational Spectral Signatures of Crystalline Cellulose Using High Resolution Broadband Sum Frequency Generation Vibrational Spectroscopy (HR-BB-SFG-VS)

Journal Article · Tue Mar 03 00:00:00 EST 2015 · Cellulose, 22(3):1469-1484 · OSTI ID:1265728

Zhang, Libing; Lu, Zhou; Velarde Ruiz Esparza, Luis A.; +6 more

Discovery of Cellulose Surface Layer Conformation by Nonlinear Vibrational Spectroscopy

Journal Article · Tue Mar 14 00:00:00 EDT 2017 · Scientific Reports · OSTI ID:1265728

Zhang, Libing; Fu, Li; Wang, Hong-fei; +1 more

Multimodal Broadband Vibrational Sum Frequency Generation (MM-BB-V-SFG) Spectrometer and Microscope

Journal Article · Thu Dec 31 00:00:00 EST 2015 · Journal of Physical Chemistry. B, Condensed Matter, Materials, Surfaces, Interfaces and Biophysical Chemistry · OSTI ID:1265728

Lee, Christopher M.; Kafle, Kabindra; Huang, Shixin; +1 more

Related Subjects

59 BASIC BIOLOGICAL SCIENCES
Cellulose Iα
Cellulose Iβ
Avicel
High resolution broadband sum frequency generation vibrational spectroscopy (HR-BB-SFG-VS)

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

Citation Formats

References (58)

Cited By (4)

Similar Records

Related Subjects