Mechanistic hydrogen bond mediated screening of hydroxyl functionalized additives for lignin condensation suppression

Huali Zeng; Linlin Liang; Liuli Zhu; Xianting Zeng; Yanling Bin; Renman Wu; Baojie Liu; Chengrong Qin; Shuangfei Wang; Shuangquan Yao

doi:10.1016/j.jobab.2026.100233

Volume 11 Issue 2

May 2026

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Article Navigation > Journal of Bioresources and Bioproducts > 2026 > 11(2): 100233

Huali Zeng, Linlin Liang, Liuli Zhu, Xianting Zeng, Yanling Bin, Renman Wu, Baojie Liu, Chengrong Qin, Shuangfei Wang, Shuangquan Yao. Mechanistic hydrogen bond mediated screening of hydroxyl functionalized additives for lignin condensation suppression[J]. Journal of Bioresources and Bioproducts, 2026, 11(2): 100233. doi: 10.1016/j.jobab.2026.100233

Citation:

Huali Zeng, Linlin Liang, Liuli Zhu, Xianting Zeng, Yanling Bin, Renman Wu, Baojie Liu, Chengrong Qin, Shuangfei Wang, Shuangquan Yao. Mechanistic hydrogen bond mediated screening of hydroxyl functionalized additives for lignin condensation suppression[J]. Journal of Bioresources and Bioproducts, 2026, 11(2): 100233. doi: 10.1016/j.jobab.2026.100233

Citation:

Huali Zeng, Linlin Liang, Liuli Zhu, Xianting Zeng, Yanling Bin, Renman Wu, Baojie Liu, Chengrong Qin, Shuangfei Wang, Shuangquan Yao. Mechanistic hydrogen bond mediated screening of hydroxyl functionalized additives for lignin condensation suppression[J]. Journal of Bioresources and Bioproducts, 2026, 11(2): 100233. doi: 10.1016/j.jobab.2026.100233

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Mechanistic hydrogen bond mediated screening of hydroxyl functionalized additives for lignin condensation suppression

doi: 10.1016/j.jobab.2026.100233

Guangxi Key Laboratory of Clean Pulp & Papermaking and Pollution Control, School of Light Industrial and Food Engineering, Guangxi University, Nanning 530004, China

Funds:

This research was supported by Guangxi Science and Technology Plan Project (No. 2023GXNSFGA026001

No. GKAD25069076

No. GKAB25069468). This research was sponsored by the Young Elite Scientists Sponsorship Program by GXAST (No. GXYESS2025090). This research was supported by Guangxi Project for Enhancing the Basic Capabilities of Middle-aged and Young People (No. 2025KY0044).

Received Date: 2025-09-26
Accepted Date: 2026-01-04
Rev Recd Date: 2025-12-27

Available Online: 2026-05-07

Publish Date: 2026-01-20

Abstract

Abstract

Hydroxyl functionalized additives (Ga-OHs) that can inhibit lignin re-polymerization have demonstrated significant potential in biomass resource conversion and utilization. However, the molecular mechanisms underlying this inhibitory effect remain poorly understood. This study systematically compares the lignin condensation inhibition capabilities of four hydroxyl functionalized additives with distinct functional group effects: salicylic acid, mannitol, 2-naphthol, and glycolic acid. Results indicate that lignin condensation inhibition is primarily associated with hydrogen bonding interactions formed between hydroxyl functionalized additives and oxygen containing functionalities on lignin side chains, while van der Waals interactions contribute as non-specific stabilizing contacts at the early stages. Rapid electron flow in short-chain compounds molecules stabilized the lignin structure. The strong hydrogen bond interaction between mannitol and oxygen groups in lignin branches (-80.38 kJ/mol) enhanced the stability of a separated lignin in a strong acidic environment, which resulted in a high β-O-4 content (up to 47.12 per 100 aromatic units). Here, we comparatively screened hydroxyl functionalized additives with different structures under dilute acid pretreatment and linked the quantitative outcomes of lignin condensation inhibition to density functional theory (DFT) validated noncovalent interactions. This work provides insight into the separation of low condensation lignin and informs the screening of additives with lignin condensation inhibition potential.
- Dilute acid pretreatment,
- Additives,
- Lignin condensation,
- Quantum chemistry

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References(45)

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