ArticleScientific data2022
Molecular structural dataset of lignin macromolecule elucidating experimental structural compositions.
Article in Scientific data, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 14 papers.
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Who cites it
14 citing papers in PubMed.
- LignAmb25: A comprehensive AMBER force field addressing lignin's structural and chemical diversity.Biophysical journal · 2026Article
- Facile synthesis of zinc-coordinated lignin nanoparticles derived from sugarcane bagasse waste biomass for sustainable bioactive composites.Discover nano · 2026Article
- Lignonaut: designing diverse combinatorial libraries for the exploration and annotation of lignin oligomer spaces.Journal of cheminformatics · 2026Article
- Threshold-Filtered Kinetic Monte Carlo Simulation for Real-Time Simulation and Control of Biomass Fractionation.Industrial & engineering chemistry research · 2026Article
- Exploring Lignin Conformation in Organic and Deep Eutectic Solvents Using Small-Angle Neutron Scattering.Langmuir : the ACS journal of surfaces and colloids · 2026Article
- LigninFit: Stochastic Simulation Software for the Prediction and Analysis of Experimentally Observed Lignin Molecules.Computational and structural biotechnology journal · 2026Article
- Enhancing the graphitization ability of corn-cob-derived lignin by coupling stabilization and hot-pressing.RSC advances · 2025Article
- Quantifying Chemically Modified Acetylation Induced Changes in the Plant Secondary Cell Wall Structure and Dynamics.Biomacromolecules · 2025Article
- Leaves for high power density hydrovoltaic generators.iScience · 2025Article
- Effects of Chlortetracycline on Lignin Biosynthesis inInternational journal of molecular sciences · 2025Article
- Review
- Assessment of Accelerated Aging Effect of Bio-Oil Fractions Utilizing Ultrahigh-Resolution Mass Spectrometry and k-Means Clustering of van Krevelen Compositional Space.Energy & fuels : an American Chemical Society journal · 2024Article
- Effects of lignin syringyl to guaiacyl ratio on cottonwood biochar adsorbent properties and performance.Scientific reports · 2024Article
- Lignins as Promising Renewable Biopolymers and Bioactive Compounds for High-Performance Materials.Polymers · 2023Review
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Authors and funding
5 authors.
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Abstract
Lignin is one of the most abundant biopolymers in nature and has great potential to be transformed into high-value chemicals. However, the limited availability of molecular structure data hinders its potential industrial applications. Herein, we present the Lignin Structural (LGS) Dataset that includes the molecular structure of milled wood lignin focusing on two major monomeric units (coniferyl and syringyl), and the six most common interunit linkages (phenylpropane β-aryl ether, resinol, phenylcoumaran, biphenyl, dibenzodioxocin, and diaryl ether). The dataset constitutes a unique resource that covers a part of lignin's chemical space characterized by polymer chains with lengths in the range of 3 to 25 monomer units. Structural data were generated using a sequence-controlled polymer generation approach that was calibrated to match experimental lignin properties. The LGS dataset includes 60 K newly generated lignin structures that match with high accuracy (~90%) the experimentally determined structural compositions available in the literature. The LGS dataset is a valuable resource to advance lignin chemistry research, including computational simulation approaches and predictive modelling.
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