Baofu Qiao
Asst Professor
Weissman School of Arts and Sciences
Department: Natural Sciences
Areas of expertise:
Email Address: baofu.qiao@baruch.cuny.edu
> View CV- Biography
- Teaching
- Research and Creative Activity
- Grants
- Honors and Awards
- Service
The research interests of our group focus on polymer-based nanomaterials, protein-based biophysics and biomaterials, and heavy metal ions and separation.
We are specifically interested in basic science-driven applications: how the fundamental understanding of molecular interactions benefits the design of functional materials, as well as energy applications.
Education
Ph.D., Chemistry, Institute of Chemistry, Chinese Academy of Sciences
| Semester | Course Prefix | Course Number | Course Name |
|---|---|---|---|
| Spring 2024 | CHM | 6001H | Honors Chemistry I |
| Spring 2024 | CHM | 5000 | Independent Study Chemistry I |
| Spring 2024 | CHM | 2003 | General Chemistry I |
| Spring 2024 | CHM | 2003 | General Chemistry I |
| Spring 2024 | CHM | 2003 | General Chemistry I |
| Spring 2024 | CHM | 2003 | General Chemistry I |
| Fall 2023 | CHM | 5000 | Independent Study Chemistry I |
| Fall 2023 | CHM | 5000 | Independent Study Chemistry I |
| Fall 2023 | CHM | 2003 | General Chemistry I |
| Fall 2023 | CHM | 2003 | General Chemistry I |
| Spring 2023 | CHM | 5000 | Independent Study Chemistry I |
| Spring 2023 | CHM | 3001 | General Chemistry II |
| Spring 2023 | CHM | 3001 | General Chemistry II |
| Fall 2022 | CHM | 3001 | General Chemistry II |
| Fall 2022 | CHM | 3001 | General Chemistry II |
Journal Articles
(2024). Controlled Adsorption of Multiple Bioactive Proteins Enables Targeted Mast Cell Nanotherapy. Nature Nanotechnology, 19. 698-704.
(2024). Inhibiting the Keap1/Nrf2 Protein-Protein Interaction with Protein-Like Polymers . Advanced Materials, 36. 2311467.
(2024). Allosteric Regulation in SARS-CoV-2 Spike Protein. Physical Chemistry Chemical Physics, 26. 6582-6589.
(2024). Conformational Studies of Globular Proteomimetic Brush Polymers of Structured and Unstructured Peptides . Chemical Science, 15(34). 13899-13908.
(2024). Tips and Tricks in the Modelling of Supramolecular Peptide Assemblies. ACS Omega, 9. 31254-31273.
(2024). Proteomimetic Polymers Trigger Potent Antigen-Specific T Cell Responses to Limit Tumor Growth . J. Am. Chem. Soc., 146. 14959-14971.
(2023). Mesoscopic simulations of protein corona formation on zwitterionic peptide-grafted gold nanoparticles. Journal of Nanoparticle Research, 25(6). 108.
(2022). Microporous water with high gas solubilities. Nature, 608. 712-718.
(2022). Acid-Base Equilibrium and Dielectric Environment Regulate Charge in Supramolecular Nanofibers. Frontiers in Chemistry, 10. 852164.
(2022). Specific Ion Effects in Lanthanide-Amphiphile Structures at the Air-Water Interface and Their Implications for Selective Separation. ACS Applied Materials & Interfaces, 14(5). 7504-7512.
(2022). Functional enzyme-polymer complexes. Proceedings of the National Academy of Sciences, 119(13). e2119509119.
(2021). Origin of Proteolytic Stability of Peptide-Brush Polymers as Globular Proteomimetics. ACS Central Science, 7(12). 2063-2072.
(2021). Origins of Clustering of Metalate-Extractant Complexes in Liquid-Liquid Extraction. ACS Applied Materials & Interfaces, 13. 24194–24206.
(2020). Single-chain heteropolymers transport protons selectively and rapidly. Nature, 577. 216-220.
(2020). Protein surface printer for exploring protein domains. Journal of Chemical Information and Modeling, 60(10). 5255-5264.
(2020). Enhanced binding of SARS-CoV-2 spike protein to receptor by distal polybasic cleavage sites. ACS Nano, 14(8). 10616-10623.
(2020). Homopolymer self-assembly of poly (propylene sulfone) hydrogels via dynamic noncovalent sulfone-sulfone bonding. Nature communications, 11(1). 4896.
(2020). Insights into the enhanced catalytic activity of cytochrome c when encapsulated in a metal-organic framework. Journal of the American Chemical Society, 142(43). 18576-18582.
(2020). PDADMAC/PSS oligoelectrolyte multilayers: Internal structure and hydration properties at early growth stages from atomistic simulations. Molecules, 25(8). 1848.
(2019). Ion association with tetra-n-alkylammonium cations stabilizes higher-oxidation-state neptunium dioxocations. Nature Communications, 10. 59.
(2019). Water follows polar and nonpolar protein surface domains. Proceedings of the National Academy of Sciences, 116(39). 19274-19281.
(2019). Mirror-like Protein Dimers Stabilized by Local Heterogeneity at Protein Surfaces. The Journal of Physical Chemistry B, 123(118). 3907-3915.
(2019). Atomistic simulation of PDADMAC/PSS oligoelectrolyte multilayers: overall comparison of tri-and tetra-layer systems. Soft Matter, 15(46). 9437-9451.
(2018). Efficient encapsulation of proteins with random copolymers. Proceedings of the National Academy of Sciences, 115(26). 6578-6583.
(2018). Random heteropolymers preserve protein function in foreign environments. Science, 359. 1239-1243.
(2018). An All-Atom Molecular Dynamics Study of Water-Dodecane Interface in the Presence of Octanol. The Journal of Physical Chemistry C, 122(1). 687-693.
(2018). Liquid Worm-like and Proto-Micelles: Water Solubilization in Amphiphile-Oil Solutions. Phys. Chem. Chem. Phys., 20. 12908-12915.
(2018). Comparative CHARMM and AMOEBA Simulations of Lanthanide Hydration Energetics and Experimental Aqueous-Solution Structures. J. Chem. Theory Comput., 14(3). 1781-1790.
(2018). Heavy Anionic Complex Creates a Unique Water Structure at a Soft Charged Interface. J. Phys. Chem. C, 29228–29236.
(2017). Ion Condensation onto Self-Assembled Nanofibers. J. Polym. Sci. Part B Polym. Phys., 55. 901-906.
(2017). Subtle Effects of Aliphatic Alcohol Structure on Water Extraction and Solute Aggregation in Biphasic Water/n-Dodecane. Langmuir, 33(15). 3776-3786.
(2017). Water Dynamics from the Surface to the Interior of a Supramolecular Nanostructure. J. Am. Chem. Soc., 139(26). 8915-8921.
(2017). Two-Step Adsorption of PtCl62- Complexes at a Charged Langmuir Monolayer: Role of Hydration and Ion Correlations. J. Phys. Chem. C, 121(45). 25377-25383.
(2017). Ion Transport Mechanisms in Liquid-Liquid Interface. Langmuir, 33(24). 6135-6142.
(2017). Complexation Enhancement Drives Water-to-Oil Ion Transport: A Simulation Study. Chemistry-A European Journal, 23. 427-436.
(2016). The Lanthanide Contraction beyond Coordination Chemistry. Chemistry–A European Journal , 22. 6899-6904.
(2016). Aggregation of Heteropolyanions in Aqueous Solutions Exhibiting Short-Range Attractions and Long-Range Repulsions. The Journal of Physical Chemistry C, 120(2). 1317-1327.
(2015). Molecular Origins of Mesoscale Ordering in a Metalloamphiphile Phase. ACS Central Science, 1(9). 493-503.
(2014). Layer-by-layer formation of oligoelectrolyte multilayers: A combined experimental and computational study. Soft Materials, 12(sup1). S14-S21.
(2014). How hydrogen bonds affect the growth of reverse micelles around coordinating metal ions. The journal of physical chemistry letters, 5(8). 1440-1444.
(2014). Structures, dynamics, and water permeation free energy across bilayers of lipid a and its analog studied with molecular dynamics simulation. The Journal of Physical Chemistry B, 118(46). 13202-13209.
(2014). Liquid-liquid phase separation of ionic liquids in solutions: ionic liquids with the triflat anion solved in aryl halides. Journal of Molecular Liquids, 192. 127-136.
(2014). Generic force fields for ionic liquids. Journal of Molecular Liquids, 192. 32-37.
(2013). Crystalline polymorphism induced by charge regulation in ionic membranes. Proceedings of the National Academy of Sciences, 110(41). 16309-16314.
(2013). Driving Force for Crystallization of Anionic Lipid Membranes Revealed by Atomistic Simulations. The Journal of Physical Chemistry B, 117(17). 5073-5080.
(2013). Driving force for water permeation across lipid membranes. The Journal of Physical Chemistry Letters, 4(19). 3233-3237.
(2013). Potassium ions in the cavity of a KcsA channel model. Physical Review E, 88(6). 062712.
(2012). Properties of water in the interfacial region of a polyelectrolyte bilayer adsorbed onto a substrate studied by computer simulations. Physical Chemistry Chemical Physics, 14(32). 11425-11432.
(2012). Molecular crystallization controlled by pH regulates mesoscopic membrane morphology. ACS Nano, 6(12). 10901-10909.
(2011). An atomistic study of a poly (styrene sulfonate)/poly (diallyldimethylammonium) bilayer: the role of surface properties and charge reversal. Physical Chemistry Chemical Physics, 13(36). 16336-16342.
(2011). Atomistic study of surface effects on polyelectrolyte adsorption: Case study of a poly (styrenesulfonate) monolayer. Macromolecules, 44(6). 1707-1718.
(2010). Poly(Styrenesulfonate)-Poly(Diallyldimethylammonium) Mixtures: Toward the Understanding of Polyelectrolyte Complexes and Multilayers via Atomistic Simulations. Macromolecules, 43(18). 7828-7838.
(2010). Structure of 1-butylpyridinium tetrafluoroborate ionic liquid: quantum chemistry and molecular dynamic simulation studies. The Journal of Physical Chemistry, 114(11). 3990-3996.
(2009). Description of ionic surfactant/water system by adjusting mesoscopic parameters. The Journal of Physical Chemistry B, 113(26). 8854-8859.
(2009). Modeling strategies for polyelectrolyte multilayers. The European Physical Journal Special Topics, 177(1). 129-148.
(2009). Understanding polyelectrolyte multilayers: an open challenge for simulations. Soft Matter, 5(22). 4412-4425.
(2008). A comparative study of two classical force fields on statics and dynamics of [EMIM][BF4] investigated via molecular dynamics simulations. The Journal of chemical physics, 129(22).
(2008). Study of 1, 3-dimethylimidazolium chloride with electronic structure methods and force field approaches. The Journal of chemical physics, 129(17).
(2008). Effect of anions on static orientational correlations, hydrogen bonds, and dynamics in ionic liquids: A simulational study. The Journal of Physical Chemistry B, 112(6). 1743-1751.
(2007). A theoretic method to predict polymer solubility parameters. Chinese Journal of Polymer Science, 25(02). 203-206.
(2004). Calculation of thermodynamic properties of polymer solutions by path integral method. Acta Polymerica Sinica, (2). 153-159.
(2004). Theory of polymer solutions based on volume fraction at chain-end. Chemical Journal of Chinese Universities, 25(11). 2144-2147.
(2004). A theory of polymer solutions without the mean-field approximation in Flory-Huggins theory. The Journal of chemical physics, 121(10). 4968-4973.
Book Chapters
(2016). Atomistic Simulation of Oligoelectrolyte Multilayers Growth. Atomistic Simulation of Oligoelectrolyte Multilayers Growth (pp. 215-228). Springer.
(2012). Modeling the Structure and Dynamics of Polyelectrolyte Multilayers. Ionic Interactions in Natural and Synthetic Macromolecules (pp. 121-166). John Wiley & Sons, Inc..
Patents and Intellectual Properties
Scott, E., Du, F., Qiao, B., & Olvera de la Cruz, M. (2021). Molecular entrapment via homopolymer self-assembly. U.S.A..
Presentations
Qiao, B. (2024, February 19). Polymer Materials for Protein Activity Retention. Hunter College, CUNY.
Qiao, B. (2024, October 19). Rare Earth Elements Separation. : Queens College, CUNY.
Qiao, B. (2024, August 19). Homopolymer PPSU for Nanotherapy. ACS Fall Meeting.
Qiao, B. (2024, April 19). Rare Earth Elements Separation. The Bio-Inspired Green (BIG) Science & Technology Symposium 2024, CUNY.
Qiao, B. (2024, March 19). Butterfly Effects in Protein-Ligand Binding. Baruch College: BIO 3002, Baruch College.
Qiao, B. (2024, February 19). Peptide Design and Delivery. : Queens College, CUNY.
Qiao, B. (2024, February 19). Butterfly Effects in Protein-Ligand Binding. : Chemistry Program, the Graduate Center, CUNY.
Qiao, B. (2024, October 19). Rare Earth Elements Separation. : City College, CUNY.
Qiao, B. (2024, April 19). Peptide Design and Delivery: Fundamental Insights into Therapeutic Drugs. : Howard University.
Qiao, B. (2024, September 19). Peptide Design and Delivery. College of Staten Island, CUNY.
Qiao, B. (2024, November 19). Butterfly Effects in Protein-Ligand Binding. : Biochemistry Program, The Graduate Center, CUNY.
Research Currently in Progess
Ortuno Macias, L., Jimenez-Angeles, F., Marmorstein, J., Wang, Y., Crane, S., KT, S., Sun, P., Sapkota, B., Hummingbird, E., Jung, W., Qiao, B., Lee, D., Dmochowski, I., Messinger, R., Schlossman, M., Radhakrishnan, R., Petersson, J., Olvera de la Cruz, M., Bu, W., Bera, M., Lin, B., Tu, R., Stebe, K., & Maldarelli, C.(n.d.). Lanthanide Binding Peptide Surfactants at Air-Aqueous Interfaces for Interfacial Separation of Rare Earth Elements.
KT, S., Qiao, B., Marmorstein, J., Favaro, D., Stebe, K., Petersson, J., Tu, R., Maldarelli, C., Olvera de la Cruz, M., & Messinger, R.(n.d.). Role of Water in the Selective Complexation of Rare Earth Elements by Lanthanide Binding Peptides.
| Title | Funding Agency Sponsor | Start Date | End Date | Awarded Date | Total Funding | Status |
|---|---|---|---|---|---|---|
| A universal multi-drug encapsulation and delivery system employing supramolecular nanogels that self-assemble via dynamic sulfone bonding | National Institutes of Health | 08/25/2022 | 05/31/2024 | 174292 | Funded - In Progress | |
| CD&E: Simulation -and Data-driven Peptide Antibody Design Targeting RBD and non-RBD Epitopes of SARS-CoV-2 Spike Protein | National Science Foundation | 09/01/2022 | 08/31/2025 | 549351 | Funded - In Progress | |
| Phosphorylation of alpha/beta-Tubulin is a “Toggle Switch” in Human Breast Cancer | National Institutes of Health | 04/01/2024 | 03/31/2028 | 61166 | Submitted for Review | |
| Proteomimetic Polymers: Recapitulating Protein Function for Scalable Bioengineered Materials | Office of Naval Research | 09/01/2023 | 08/31/2028 | 75000 | Submitted for Review |
College
| Committee Name | Position Role | Start Date | End Date |
|---|---|---|---|
| Representatives to the Zicklin School of Business | Attendee, Meeting | 6/30/2026 | |
| Committee on Undergraduate Honors Program | Committee Member | 8/31/2025 | |
| Peer observation | Committee Member | 12/6/2023 | |
| Judge for Creative Inquiry Expo | Judge | 5/11/2023 | |
| Peer observation | Committee Member | 3/28/2023 | |
| Peer observation | Committee Member | 3/13/2023 |
University
| Committee Name | Position Role | Start Date | End Date |
|---|---|---|---|
| GC Dissertation Fellowship 2023 | Committee Member | 1/24/2023 | 2/24/2023 |
| Committee of the Second Level Exam | Committee Member | 1/25/2024 | 1/25/2023 |
Professional
| Organization | Position Role | Organization State | Organization Country | Start Date | End Date | Audience |
|---|---|---|---|---|---|---|
| National Science Foundation | Reviewer, Grant Proposal | United States | 6/6/2024 | 6/7/2024 | National | |
| National Science Foundation | Reviewer, Grant Proposal | United States | 11/15/2023 | 11/17/2023 | National | |
| Department of Energy | Reviewer, Grant Proposal | United States | 3/30/2023 | 4/23/2023 | National |