Pochan and co-author Jeffery Saven, professor of chemistry at the University of Pennsylvania, have collaborated since 2012, when they received a National Science Foundation DMREF grant to study designer materials. Kristi Kiick, Blue and Gold Distinguished Professor of Materials Science and Engineering, was also a collaborator on that project.
Saven's computational chemistry group designs and models specific peptide sequences to identify promising candidates for synthesis and characterization. "Our group is involved in designing and identifying what to make, then modelling these systems to try to understand their stability," Saven said about his group's role in the collaboration.
Saven collaborates on new molecule designs with Pochan and now Kloxin, who joined the collaboration later, where they discuss the pros and cons of different peptide sequences and how to best create a new material with a specific property.
Then, at UD, Pochan and Kloxin make the materials.
"It's good to have feedback on important features to include in the calculations," said Saven about the importance of iterative discussions between groups at UD and Penn.
Said Pochan: "We computationally design and then experimentally create the molecules to do the assembly into the bundlemer building blocks," said Pochan. "We are not limited to nature's toolbox."
Still, despite careful planning, the initial experimental results surprised Pochan and Kloxin--in a good way. When they first saw measurements of the bundlemer chain stiffness, they assumed that something was wrong. Usually polymer chains are loose and flexible like spaghetti, but polymers created from bundlemers are more like long, thin, sturdy rods.
"The rigidity was quite surprising and stunning," said Pochan. It wasn't a mistake. Additional testing revealed that bundlemers have a much higher stiffness by weight than almost any other polymers, such as synthetic polymers and DNA.
After synthesizing bundlemers, the research team characterized the materials using transmission electron microscopy and cryogenic transmission electron microscopy in the Keck Center for Advanced Microscopy and Microanalysis. They also confirmed the size and structure of the bundlemers through small-angle neutron scattering experiments at the NIST Center for Neutron Research, which has a cooperative agreement with the University of Delaware for the Center for Neutron Science.
Jeff Caplan, confocal microscopy expert and director of BioImaging at the Delaware Biotechnology Institute, performed Stochastic Optical Reconstruction Microscopy (STORM) Imaging to visualize tiny segments within the bundlemers. Caplan is a co-author on the Nature paper.
This project wouldn't have been possible without the complementary expertise of the principal investigators. Saven excels in computations and theory. Kloxin excels in polymer chemistry. Pochan excels in materials synthesis and characterization.
"We have plenty of overlap with our expertise, but the point is that without one of us, none of this would have happened," said Pochan. "Without facilities, such as UD's Keck Microscopy Lab, the BioImaging Center at the Delaware Biotechnology Institute, and our relationship with NIST and the Center for Neutron Research, this kind of work would not happen."