Publications
List of peer-reviewed publications, reporting work that was funded, in whole or in part, by GlycoMIP (NSF Cooperative Agreement DMR-1933525).
NSF Highlights
Short reports of the scientific and broader impacts of selected GlycoMIP activities from its user program, in-house research, education and outreach events, and knowledge sharing efforts.
Completed Projects
View select Completed Projects
GlycoData Platform
GlycoData is an open-source data-sharing platform for glycomaterials, providing scientific data and computational tools including machine learning to support research collaboration and innovation in the field of glycomaterials development.
Visit GlycoData Platform (opens in a new tab)
PolyBuilder Tool
PolyBuilder is an interactive online tool to generate atomic 3D structures of natural and engineered polysaccharides.
Visit PolyBuilder Tool (opens in a new tab)
In-House Research Program
In-House Research Program details
Purpose of the In-House Research Program
Scope
The scope of the In-House Research program is to accelerate the convergence of scalable synthesis, automated characterization, and advanced modeling to accelerate rational glycomaterial design.
Intellectual Merit
Glycomaterials have important and unique properties, including biodegradability, sustainability, and industrial utility, however, the ability to rationally design glycomaterials does not currently exist. This limitation creates a bottleneck for expanding the industrial, scientific, and societal impact of these materials.
- Innovations are required for predicting, synthesizing and characterizing carbohydrate properties, such as surface adhesion and self-assemble, which are relevant to aggregation, gelation, film formation, solubility, plasticity, etc.
National and International Impact
The research program will lead to the discovery of completely novel materials, methods for their development, and applications.
- Glycomaterials have applications in areas as diverse as medicine, aerospace, renewable resources, and defense.
Iterative MGI Approach
Applying the Materials Genome Initiative (MGI) approach the research is conducted in a transdisciplinary, iterative, closed-loop approach, with input from users in industry, academia, and National laboratories.
- The MGI approach integrates synthesis, characterization, and modeling to surmount scientific and technological barriers in glycomaterials research and accelerate innovation, design, discovery, and development.
Major Goals of the In-House Program
- Develop new chemical and enzymatic methods and protocols for the automated synthesis of glycopolymers with the guidance of advanced machine-learning techniques
- Develop advanced automated modeling protocols that better account for the effects of molecular environment on the conformations and physical properties of glycopolymers.
- Implement autonomous and automated computational methods for predicting and assigning the spectra (ROA, VCD, MS) of glycopolymers.
- Develop high-throughput characterization methods for measuring the properties of glycomaterials.
MGI Approach to In-House Research
Within each loop, the research program contains three core elements: synthesis, characterization, and theory that together synergize to advance research efficiency.
Molecular Properties (IG1)
IG1 (Molecular Properties) applies experimental and theoretical methods to measure glycomaterial properties, establish structure-property correlations, and develop methods to predict molecular properties. IG1 uses experimental and theoretical methods to characterize natural and engineered glycomaterials. This includes compositional analysis (mass spectrometry), 3D structure and dynamics (modeling and NMR), and solution properties like diffusion, solubility, and viscosity. Experimental results inform the development of physics-based and AI-driven predictive methods to accelerate glycomaterial analysis. IG1 advances MIP goals by creating a knowledge base and computational tools to support rational design. These efforts incorporate feedback from the user program and benefit from inter-institutional collaborations. The predictive tools can aid in studying glycomaterials currently beyond experimental reach, generate hypotheses, or guide rational design, which can be tested in collaboration with IG2.
Glycomaterial Engineering (IG2)
IG2 (Glycomaterials Engineering) focuses on the rational design of glycomaterials using engineering-based approaches. IG2 involves design, synthesis, characterization, and modeling of polysaccharides and their derivatives, including hybrid materials, solutions, and gels. Engineering-based approaches are central, such as design-synthesize-test-learn cycles, aided by high-throughput synthesis and characterization as well as modeling. IG2 contributes to advancing MIP goals through rational design approaches with iterative feedback loops while promoting inter-institutional collaboration and efforts that align with the user program. It integrates with other IGs through use of advanced modeling approaches developed in IG1 and next-generation characterization methods developed in IG3. Collaborations with the user program cross disciplinary boundaries and include materials development, computational studies, and high-throughput characterization.
Biomolecular Interactions and Interfaces (IG3)
IG 3 studies systems, phenomena, and processes that involve molecular interactions of glycomaterials with other molecules in solutions or at interfaces. Molecular interactions of glycomaterials are fundamental to their natural functions and technological applications. In solution, they govern, for example, processes such as substrate-enzyme or ligand-receptor binding, the gelation of hydrocolloids, and the formation of inclusion complexes. At interfaces, they play critical roles in, for example, the adsorption of proteins to glycomaterial substrates, the adhesion of plants and animals (e.g., snails) to solid surfaces, and the stabilization of emulsions, foams, and suspensions by hydrocolloids. IG 3 integrates experimental characterization and computational prediction of the molecular interactions of glycomaterials in solution and at interfaces to elucidate their role in a diverse range of biological and technological processes.