Component size dependent lignin-carbohydrate complex adsorption at crystalline cellulose surfaces
Source abstract
Abstract
Abstract The materials characteristics of natural wood but also the properties of artificial cellulose/hemicellulose-based wood-inspired composite materials result from the molecular level organization and interactions between cellulose, hemicellulose, and lignin. Here, we use atomistic detail molecular dynamics simulations to examine the adsorption of model lignin-carbohydrate complexes (LCCs) consisting of a glucomannan polysaccharide chain with differing lignin fragment linkages to the crystalline facets of cellulose nanocrystals. The findings show that on crystalline cellulose surfaces exceeding in surface dimensions the length of the adsorbed hemicellulose chain, the LCCs can adopt orientations both parallel and perpendicular to the surface chains with response depending on the crystalline facet. The observation of perpendicular orientations is unexpected, as previous molecular level modelling studies systematically report parallel LCC adsorption orientation, however on cellulose interfaces modelling the narrow natural wood cellulose fibrils. Here, the perpendicular adsorption orientation is stabilized by extensive hydrogen bonding and adsorption of the hemicellulose chain with negligible chain bending. Overall, the results show that component dimensions (hemicellulose chain length vs cellulose crystalline surface dimensions) combined with understanding the differences of adsorption response at the difference crystal facets are crucial in understanding wood-inspired materials. Graphical abstract
Source: crossref · Quality: baseline
Research context
OpenAlex topics: Advanced Cellulose Research Studies · Lignin and Wood Chemistry · Polysaccharides and Plant Cell Walls
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (79)
Show source-provided references
1. Abraham MJ, Gready JE (2011) Optimization of parameters for molecular dynamics simulation using smooth particle-mesh Ewald in Gromacs 4.5. J Comput Chem 32(9):2031–2040. https://doi.org/10.1002/jcc.2177310.1002/jcc.21773 ↗
2. Abraham MJ, Murtola T, Schulz R, Páll S, Smith JC, Hess B, Lindahl E (2015) Gromacs: high performance molecular simulations through multi-level parallelism from laptops to supercomputers. SoftwareX 1:19–25. https://doi.org/10.1016/j.softx.2015.06.00110.1016/j.softx.2015.06.001 ↗
3. Abushammala H, Mao J (2020) A review on the partial and complete dissolution and fractionation of wood and lignocelluloses using imidazolium ionic liquids. Polymers 12(1):195. https://doi.org/10.3390/polym1201019510.3390/polym12010195 ↗
4. Ahmed J, Gultekinoglu M, Edirisinghe M (2020) Bacterial cellulose micro-nano fibres for wound healing applications. Biotechnol Adv 41:107549. https://doi.org/10.1016/j.biotechadv.2020.10754910.1016/j.biotechadv.2020.107549 ↗
5. Alqahtani MS, Alqahtani A, Al-Thabit A, Roni M, Syed R (2019) Novel lignin nanoparticles for oral drug delivery. J Mater Chem B 7(28):4461–4473. https://doi.org/10.1039/C9TB00594C10.1039/C9TB00594C ↗
6. Arola S, Kou Z, Rooijakkers BJ, Velagapudi R, Sammalkorpi M, Linder MB (2022) On the mechanism for the highly sensitive response of cellulose nanofiber hydrogels to the presence of ionic solutes. Cellulose 29(11):6109–6121. https://doi.org/10.1007/s10570-022-04664-w10.1007/s10570-022-04664-w ↗
7. Astley OM, Chanliaud E, Donald AM, Gidley MJ (2001) Structure of acetobacter cellulose composites in the hydrated state. Int J Biol Macromol 29(3):193–202. https://doi.org/10.1016/S0141-8130(01)00167-210.1016/S0141-8130(01)00167-2 ↗
8. Balakshin M, Capanema E, Gracz H, Hm Chang, Jameel H (2011) Quantification of lignin-carbohydrate linkages with high-resolution nmr spectroscopy. Planta 233:1097–1110. https://doi.org/10.1007/s00425-011-1359-210.1007/s00425-011-1359-2 ↗
9. Balakshin M, Capanema EA, Zhu X, Sulaeva I, Potthast A, Rosenau T, Rojas OJ (2020) Spruce milled wood lignin: linear, branched or cross-linked? Green Chem 22(13):3985–4001. https://doi.org/10.1039/D0GC00926A10.1039/D0GC00926A ↗
10. Berglund J, Mikkelsen D, Flanagan BM, Dhital S, Gaunitz S, Henriksson G, Lindström ME, Yakubov GE, Gidley MJ, Vilaplana F (2020) Wood hemicelluloses exert distinct biomechanical contributions to cellulose fibrillar networks. Nat Commun 11(1):4692. https://doi.org/10.1038/s41467-020-18390-z10.1038/s41467-020-18390-z ↗
11. Best RB, Zhu X, Shim J, Lopes PE, Mittal J, Feig M, MacKerell AD Jr (2012) Optimization of the additive charmm all-atom protein force field targeting improved sampling of the backbone $$\phi$$, $$\psi$$ and side-chain $$\chi$$1 and $$\chi$$2 dihedral angles. J Chem Theory Comput 8(9):3257–3273. https://doi.org/10.1021/ct300400x10.1021/ct300400x ↗
12. Bussi G, Donadio D, Parrinello M (2007) Canonical sampling through velocity rescaling. J Chem Phys 10(1063/1):2408420. https://doi.org/10.1063/1.240842010.1063/1.2408420 ↗
13. Calle-Gil R, Castillo-Martínez E, Carretero-González J (2022) Cellulose nanocrystals in sustainable energy systems. Adv Sustain Syst 6(4):2100395. https://doi.org/10.1002/adsu.20210039510.1002/adsu.202100395 ↗
14. Carvalho DMd, Lahtinen MH, Lawoko M, Mikkonen KS (2020) Enrichment and identification of lignin-carbohydrate complexes in softwood extract. ACS Sustain Chem Eng 8(31):11795–11804. https://doi.org/10.1021/acssuschemeng.0c0398810.1021/acssuschemeng.0c03988 ↗
15. Chen C, Kuang Y, Zhu S, Burgert I, Keplinger T, Gong A, Li T, Berglund L, Eichhorn SJ, Hu L (2020) Structure-property-function relationships of natural and engineered wood. Nat Rev Mater 5(9):642–666. https://doi.org/10.1038/s41578-020-0195-z10.1038/s41578-020-0195-z ↗
16. Cresswell R, Dupree R, Brown SP, Pereira CS, Skaf MS, Sorieul M, Dupree P, Hill S (2021) Importance of water in maintaining softwood secondary cell wall nanostructure. Biomacromolecules 22(11):4669–4680. https://doi.org/10.1021/acs.biomac.1c0093710.1021/acs.biomac.1c00937 ↗
17. Dahlman O, Jacobs A, Sjöberg J (2003) Molecular properties of hemicelluloses located in the surface and inner layers of hardwood and softwood pulps. Cellulose 10(4):325–334. https://doi.org/10.1023/A:102731692630810.1023/A:1027316926308 ↗
18. Dennington R, Keith TA, Millam JM (2016) Gaussview Version 6.0. Semichem Inc. Shawnee Mission KS
19. Du X, Pérez-Boada M, Fernández C, Rencoret J, Del Río JC, Jiménez-Barbero J, Li J, Gutiérrez A, Martínez AT (2014) Analysis of lignin-carbohydrate and lignin-lignin linkages after hydrolase treatment of xylan-lignin, glucomannan-lignin and glucan-lignin complexes from spruce wood. Planta 239:1079–1090. https://doi.org/10.1007/s00425-014-2037-y10.1007/s00425-014-2037-y ↗
20. Dufresne A (2017) Nanocellulose: from nature to high performance tailored materials. De Gruyte, Berlin, Boston. https://doi.org/10.1515/978311048041210.1515/9783110480412 ↗
21. Eriksson Ö, Goring D, Lindgren B (1980) Structural studies on the chemical bonds between lignins and carbohydrates in spruce wood. Wood Sci Technol 14:267–279. https://doi.org/10.1007/BF0038345410.1007/BF00383454 ↗
22. Essmann U, Perera L, Berkowitz ML, Darden T, Lee H, Pedersen LG (1995) A smooth particle mesh Ewald method. J Chem Phys 103(19):8577–8593. https://doi.org/10.1063/1.47011710.1063/1.470117 ↗
23. French AD, Johnson GP (2009) Cellulose and the twofold screw axis: modeling and experimental arguments. Cellulose 16:959–973. https://doi.org/10.1007/s10570-009-9347-410.1007/s10570-009-9347-4 ↗
24. Gindl-Altmutter W, Köhnke J, Unterweger C, Gierlinger N, Keckes J, Zalesak J, Rojas OJ (2019) Lignin-based multiwall carbon nanotubes. Compos Part A Appl Sci Manuf 121:175–179. https://doi.org/10.1016/j.compositesa.2019.03.02610.1016/j.compositesa.2019.03.026 ↗
25. Giummarella N, Zhang L, Henriksson G, Lawoko M (2016) Structural features of mildly fractionated lignin carbohydrate complexes (lcc) from spruce. RSC Adv 6(48):42120–42131. https://doi.org/10.1039/C6RA02399A10.1039/C6RA02399A ↗
26. Glova AD, Falkovich SG, Larin SV, Mezhenskaia DA, Lukasheva NV, Nazarychev VM, Tolmachev DA, Mercurieva AA, Kenny JM, Lyulin SV (2016) Poly (lactic acid)-based nanocomposites filled with cellulose nanocrystals with modified surface: all-atom molecular dynamics simulations. Polym Int 65(8):892–898. https://doi.org/10.1002/pi.510210.1002/pi.5102 ↗
27. Gomes TC, Skaf MS (2012) Cellulose-builder: a toolkit for building crystalline structures of cellulose. J Comput Chem 33(14):1338–1346. https://doi.org/10.1002/jcc.2295910.1002/jcc.22959 ↗
28. Habibi Y, Lucia LA, Rojas OJ (2010) Cellulose nanocrystals: chemistry, self-assembly, and applications. Chem Rev 110(6):3479–3500. https://doi.org/10.1021/cr900339w10.1021/cr900339w ↗
29. Heinonen E, Henriksson G, Lindström ME, Vilaplana F, Wohlert J (2022) Xylan adsorption on cellulose: preferred alignment and local surface immobilizing effect. Carbohydr Polym 285:119221. https://doi.org/10.1016/j.carbpol.2022.11922110.1016/j.carbpol.2022.119221 ↗
30. Hosseinaei O, Wang S, Enayati AA, Rials TG (2012) Effects of hemicellulose extraction on properties of wood flour and wood-plastic composites. Compos Part A Appl Sci Manuf 43(4):686–694. https://doi.org/10.1016/j.compositesa.2012.01.00710.1016/j.compositesa.2012.01.007 ↗
31. Huang J, MacKerell AD Jr (2013) CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data. J Comput Chem 34(25):2135–2145. https://doi.org/10.1002/jcc.2335410.1002/jcc.23354 ↗
32. Huang Y, Wang L, Chao Y, Nawawi DS, Akiyama T, Yokoyama T, Matsumoto Y (2016) Relationships between hemicellulose composition and lignin structure in woods. J Wood Chem Technol 36(1):9–15. https://doi.org/10.1080/02773813.2015.103954310.1080/02773813.2015.1039543 ↗
33. Humphrey W, Dalke A, Schulten K (1996) VMD-visual molecular dynamics. J Mol Graph 14:33–38. https://doi.org/10.1016/0263-7855(96)00018-510.1016/0263-7855(96)00018-5 ↗
34. Jo S, Kim T, Iyer VG, Im W (2008) Charmm-gui: a web-based graphical user interface for charmm. J Comput Chem 29(11):1859–1865. https://doi.org/10.1002/jcc.2094510.1002/jcc.20945 ↗
35. Khodayari A, Thielemans W, Hirn U, Van Vuure AW, Seveno D (2021) Cellulose-hemicellulose interactions - a nanoscale view. Carbohydr Polym 270:118364. https://doi.org/10.1016/j.carbpol.2021.11836410.1016/j.carbpol.2021.118364 ↗
36. Kishani S, Benselfelt T, Wågberg L, Wohlert J (2021) Entropy drives the adsorption of xyloglucan to cellulose surfaces - a molecular dynamics study. J Coll Interface Sci 588:485–493. https://doi.org/10.1016/j.jcis.2020.12.11310.1016/j.jcis.2020.12.113 ↗
37. Kong Y, Li L, Fu S (2022) Insights from molecular dynamics simulations for interaction between cellulose microfibrils and hemicellulose. J Mater Chem A 10(27):14451–14459. https://doi.org/10.1039/D2TA03164G10.1039/D2TA03164G ↗
38. Kou Z, Tolmachev D, Vuorte M, Sammalkorpi M (2024) Interactions of NaCl with cellulose I$$\beta$$ crystal surfaces and the effect on cellulose hydration: a molecular dynamics study. Cellulose 31:4115–4129. https://doi.org/10.1007/s10570-024-05831-x10.1007/s10570-024-05831-x ↗
39. Kumar S, Rosenberg JM, Bouzida D, Swendsen RH, Kollman PA (1992) The weighted histogram analysis method for free-energy calculations on biomolecules. I. The method. J Comput Chem 13(8):1011–1021. https://doi.org/10.1002/jcc.54013081210.1002/jcc.540130812 ↗
40. Lima García J, Pans G, Phanopoulos C (2018) Use of lignin in polyurethane-based structural wood adhesives. J Adhes 94(10):814–828. https://doi.org/10.1080/00218464.2017.138545810.1080/00218464.2017.1385458 ↗
41. Lucenius J, Valle-Delgado JJ, Parikka K, Österberg M (2019) Understanding hemicellulose-cellulose interactions in cellulose nanofibril-based composites. J Colloid Interface Sci 555:104–114. https://doi.org/10.1016/j.jcis.2019.07.05310.1016/j.jcis.2019.07.053 ↗
42. Lukasheva N, Tolmachev D (2016) Cellulose nanofibrils and mechanism of their mineralization in biomimetic synthesis of hydroxyapatite/native bacterial cellulose nanocomposites: molecular dynamics simulations. Langmuir 32(1):125–134. https://doi.org/10.1021/acs.langmuir.5b0395310.1021/acs.langmuir.5b03953 ↗
43. Lukasheva N, Tolmachev D, Karttunen M (2019) Mineralization of phosphorylated cellulose: crucial role of surface structure and monovalent ions for optimizing calcium content. Phys Chem Chem Phys 21(3):1067–1077. https://doi.org/10.1039/C8CP05767B10.1039/C8CP05767B ↗
44. Luo Z, Li S, Xu Y, Ren H, Zhang X, Hu G, Huang F, Yue T (2018) Extracting pulmonary surfactants to form inverse micelles on suspended graphene nanosheets. Environ Sci Nano 5(1):130–140. https://doi.org/10.1039/C7EN00843K10.1039/C7EN00843K ↗
45. Mali P, Sherje AP (2022) Cellulose nanocrystals: fundamentals and biomedical applications. Carbohydr Polym 275:118668. https://doi.org/10.1016/j.carbpol.2021.11866810.1016/j.carbpol.2021.118668 ↗
46. Mandin S, Moreau S, Talantikite M, Novalès B, Maigret JE, Cathala B, Moreau C (2021) Cellulose nanofibrils/xyloglucan bio-based aerogels with shape recovery. Gels 7(1):5. https://doi.org/10.3390/gels701000510.3390/gels7010005 ↗
47. Martínez-Abad A, Jiménez-Quero A, Wohlert J, Vilaplana F (2020) Influence of the molecular motifs of mannan and xylan populations on their recalcitrance and organization in spruce softwoods. Green Chem 22(12):3956–3970. https://doi.org/10.1039/D0GC01207F10.1039/D0GC01207F ↗
48. Matthews JF, Beckham GT, Bergenstrahle-Wohlert M, Brady JW, Himmel ME, Crowley MF (2012) Comparison of cellulose I$$\beta$$ simulations with three carbohydrate force fields. J Chem Theory Comput 8(2):735–748. https://doi.org/10.1021/ct200769210.1021/ct2007692 ↗
49. Mazumder S, Zhang N (2023) Cellulose-hemicellulose-lignin interaction in the secondary cell wall of coconut endocarp. Biomimetics 8(2):188. https://doi.org/10.3390/biomimetics802018810.3390/biomimetics8020188 ↗
50. Melnikova SD, Larin SV (2023) Influence of polymer compatibility and layer thickness on the structural and thermophysical properties of polymer multilayer films. J Polym Sci 61(8):671–684. https://doi.org/10.1002/pol.2022047410.1002/pol.20220474 ↗
51. Mili M, Hashmi SAR, Ather M, Hada V, Markandeya N, Kamble S, Mohapatra M, Rathore SKS, Srivastava AK, Verma S (2022) Novel lignin as natural-biodegradable binder for various sectors-a review. J Appl Polym Sci 139(15):51951. https://doi.org/10.1002/app.5195110.1002/app.51951 ↗
52. Mudedla SK, Vuorte M, Veijola E, Marjamaa K, Koivula A, Linder MB, Arola S, Sammalkorpi M (2021) Effect of oxidation on cellulose and water structure: a molecular dynamics simulation study. Cellulose 28(7):3917–3933. https://doi.org/10.1007/s10570-021-03751-810.1007/s10570-021-03751-8 ↗
53. Nascimento DM, Colombari FM, Focassio B, Schleder GR, Costa CA, Biffe CA, Ling LY, Gouveia RF, Strauss M, Rocha GJ et al (2022) How lignin sticks to cellulose-insights from atomic force microscopy enhanced by machine-learning analysis and molecular dynamics simulations. Nanoscale 14(47):17561–17570. https://doi.org/10.1039/D2NR05541D10.1039/D2NR05541D ↗
54. Nishiyama Y, Langan P, Chanzy H (2002) Crystal structure and hydrogen-bonding system in cellulose I$$\beta$$ from synchrotron X-ray and neutron fiber diffraction. J Am Chem Soc 124(31):9074–9082. https://doi.org/10.1021/ja025731910.1021/ja0257319 ↗
55. Oehme DP, Yang H, Kubicki JD (2018) An evaluation of the structures of cellulose generated by the CHARMM force field: comparisons to in planta cellulose. Cellulose 25(7):3755–3777. https://doi.org/10.1007/s10570-018-1793-410.1007/s10570-018-1793-4 ↗
56. Parrinello M, Rahman A (1981) Polymorphic transitions in single crystals: a new molecular dynamics method. J Appl Phys 52(12):7182–7190. https://doi.org/10.1063/1.32869310.1063/1.328693 ↗
57. Peng F, Ren JL, Xu F, Sun RC (2011) Chemicals from hemicelluloses: a review. In: Zhu JY, Zhang X, Pan XJ (eds) Sustainable production of fuels, chemicals, and fibers from forest. ACS symposium series, vol 1067. ACS, Washington. https://doi.org/10.1021/bk-2011-1067.ch00910.1021/bk-2011-1067.ch009 ↗
58. Pérez J, Munoz-Dorado J, De la Rubia T, Martinez J (2002) Biodegradation and biological treatments of cellulose, hemicellulose and lignin: an overview. Int Microbiol 5:53–63. https://doi.org/10.1007/s10123-002-0062-310.1007/s10123-002-0062-3 ↗
59. Ren Z, Sun H, Zhou X, Chi X, Bi H, Ji T, Xu M, Cai L (2023) Insights from molecular dynamics simulations for interfacial effects between polylactic acid and wood cell wall constituents. Compos Part A Appl Sci Manuf 164:107310. https://doi.org/10.1016/j.compositesa.2022.10731010.1016/j.compositesa.2022.107310 ↗
60. Saha BC (2003) Hemicellulose bioconversion. J Ind Microbiol Biotechnol 30(5):279–291. https://doi.org/10.1007/s10295-003-0049-x10.1007/s10295-003-0049-x ↗
61. Salmén L (2022) On the organization of hemicelluloses in the wood cell wall. Cellulose 29(3):1349–1355. https://doi.org/10.1007/s10570-022-04425-910.1007/s10570-022-04425-9 ↗
62. Santos MB, Sillero L, Gatto DA, Labidi J (2022) Bioactive molecules in wood extractives: methods of extraction and separation, a review. Ind Crops Prod 186:115231. https://doi.org/10.1016/j.indcrop.2022.11523110.1016/j.indcrop.2022.115231 ↗
63. Scheller HV, Ulvskov P (2010) Hemicelluloses. Annu Rev Plant Biol 61:263–289. https://doi.org/10.1146/annurev-arplant-042809-11231510.1146/annurev-arplant-042809-112315 ↗
64. Schwanninger M, Rodrigues JC, Fackler K (2011) A review of band assignments in near infrared spectra of wood and wood components. J Near Infrared Spectrosc 19(5):287–308. https://doi.org/10.1255/jnirs.95510.1255/jnirs.955 ↗
65. Sella Kapu N, Trajano HL (2014) Review of hemicellulose hydrolysis in softwoods and bamboo. Biofuel Bioprod Biorefin 8(6):857–870. https://doi.org/10.1002/bbb.151710.1002/bbb.1517 ↗
66. Shah R, Huang S, Pingali SV, Sawada D, Pu Y, Rodriguez M Jr, Ragauskas AJ, Kim SH, Evans BR, Davison BH et al (2019) Hemicellulose-cellulose composites reveal differences in cellulose organization after dilute acid pretreatment. Biomacromolecules 20(2):893–903. https://doi.org/10.1021/acs.biomac.8b0151110.1021/acs.biomac.8b01511 ↗
67. Solala I, Iglesias MC, Peresin MS (2020) On the potential of lignin-containing cellulose nanofibrils (LCNFS): a review on properties and applications. Cellulose 27:1853–1877. https://doi.org/10.1007/s10570-019-02899-810.1007/s10570-019-02899-8 ↗
68. Song G, Lancelon-Pin C, Chen P, Yu J, Zhang J, Su L, Wada M, Kimura T, Nishiyama Y (2021) Time-dependent elastic tensor of cellulose nanocrystal probed by hydrostatic pressure and uniaxial stretching. J Phys Chem Lett 12(15):3779–3785. https://doi.org/10.1021/acs.jpclett.1c0057610.1021/acs.jpclett.1c00576 ↗
69. Terrett OM, Dupree P (2019) Covalent interactions between lignin and hemicelluloses in plant secondary cell walls. Curr Opin Biotechnol 56:97–104. https://doi.org/10.1016/j.copbio.2018.10.01010.1016/j.copbio.2018.10.010 ↗
70. Timell TE (1964) Wood hemicelluloses: Part I. Adv Carbohydr Chem 19:247–302. https://doi.org/10.1016/S0096-5332(08)60284-210.1016/S0096-5332(08)60284-2 ↗
71. Tolmachev D, Lukasheva N (2014) Study of the process of mineralization of nanofibrils of native bacterial cellulose in solutions of mineral ions: modeling via the method of molecular dynamics. Polym Sci Ser A 56:545–557. https://doi.org/10.1134/S0965545X1404016610.1134/S0965545X14040166 ↗
72. Tolmachev D, Mamistvalov G, Lukasheva N, Larin S, Karttunen M (2021) Effects of amino acid side-chain length and chemical structure on anionic polyglutamic and polyaspartic acid cellulose-based polyelectrolyte brushes. Polymers 13(11):1789. https://doi.org/10.3390/polym1311178910.3390/polym13111789 ↗
73. Torrie G, Valleau J (1977) Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling. J Comput Phys 23(2):187–199. https://doi.org/10.1016/0021-9991(77)90121-810.1016/0021-9991(77)90121-8 ↗
74. Trache D, Hussin MH, Haafiz MM, Thakur VK (2017) Recent progress in cellulose nanocrystals: sources and production. Nanoscale 9(5):1763–1786. https://doi.org/10.1039/C6NR09494E10.1039/C6NR09494E ↗
75. Welsh ID, Draper D, Kim J, Kitchen JA, Allison JR (2019) Characterisation of N-(octadecyl)-1,8-naphthalimide monolayer compression using molecular dynamics and experimental approaches. Chem Asian J 14(8):1221–1229. https://doi.org/10.1002/asia.20180173610.1002/asia.201801736 ↗
76. Zhang J, Choi YS, Yoo CG, Kim TH, Brown RC, Shanks BH (2015) Cellulose-hemicellulose and cellulose-lignin interactions during fast pyrolysis. ACS Sustain Chem Eng 3(2):293–301. https://doi.org/10.1021/sc500664h10.1021/sc500664h ↗
77. Zhang N, Li S, Xiong L, Hong Y, Chen Y (2015) Cellulose-hemicellulose interaction in wood secondary cell-wall. Model Simul Mat Sci Eng 23(8):085010. https://doi.org/10.1088/0965-0393/23/8/08501010.1088/0965-0393/23/8/085010 ↗
78. Zhang Q, Brumer H, Ågren H, Tu Y (2011) The adsorption of xyloglucan on cellulose: effects of explicit water and side chain variation. Carbohydr Res 346(16):2595–2602. https://doi.org/10.1016/j.carres.2011.09.00710.1016/j.carres.2011.09.007 ↗
79. Zhang X, Yang W, Blasiak W (2011) Modeling study of woody biomass: interactions of cellulose, hemicellulose, and lignin. Energy Fuels 25(10):4786–4795. https://doi.org/10.1021/ef201097d10.1021/ef201097d ↗