Department of Chemistry, Physics, and Engineering, Chicago State University
Ph.D. Chemistry, University of Notre Dame, 2012

Understanding binding and structural properties of nanostructures that have important implications for increasing storage capacity in molecular electronics, minimizing high temperature destabilizing effects in energy systems, and maintaining bioactivity of bound molecules in biosensors are topics of interest in the group.  DNA origami nano technology, scanning microscopy (SEM and AFM), and electrochemistry are applicable techniques.

Department of Chemistry, University of Pittsburgh
University of Michigan, Ph.D. Chemistry, 2003

Our research involves the design and synthesis of novel hybrid inorganic-organic-biomolecule materials and studying, understanding, and precisely controlling their structures and properties. This research encompasses organic and inorganic synthesis, coordination chemistry, solid-state chemistry, biomolecule assembly, and nanoparticle synthesis and assembly.  We are particular motivated by applications related to the porosity of metal-organic framework materials (e.g. gas storage and separations) and the unique collective plasmonic properties of peptide-nanoparticle assemblies.

Most Cited Publications
  1. "Systematic Design of Pore Size and Functionality in Isoreticular MOFs and Their Application in Methane Storage," Mohamed Eddaoudi, Jaheon Kim, Nathaniel Rosi, David Vodak, Joseph Wachter, Michael  'Keeffe, Omar M. Yaghi, Science295, 469 (2002)
  2. "Nanostructures in Biodiagnostics," Nathaniel L. Rosi and Chad A. Mirkin, Chem. Rev., 105, 1547 (2005)
  3. "Hydrogen Storage in Microporous Metal-Organic Frameworks," Nathaniel L. Rosi, Juergen Eckert, Mohamed Eddaoudi, David T. Vodak, Jaheon Kim, Michael O'Keeffe, Omar M. Yaghi, Science, 300, 1127 (2003)
  4. "Rod Packings and Metal-Organic Frameworks Constructed from Rod-Shaped Secondary Building Units," Nathaniel L. Rosi, Jaheon Kim, Mohamed Eddaoudi, Banglin Chen, Michael O’Keeffe and Omar M. Yaghi, J. AM. CHEM. SOC., 127, 1504 (2005)
  5. "Oligonucleotide-Modified Gold Nanoparticles for Intracellular Gene Regulation,"Nathaniel L. Rosi, David A. Giljohann, C. Shad Thaxton, Abigail K. R. Lytton-Jean, Min Su Han, Chad A. Mirkin, Science,312, 1027 (2006)
Recent Publications
  1. "Mulltivariate Stratified Metal-Organic Frameworks: Diversification Using Domain Building Blocks."  Tian-Yi Luo, Chong Liu, Xing Yee Gan, Patrick F Muldoon, Nathan A Diemler, Jill E Millstone, and Nathaniel L Rosi.  J. Am. Chem. Soc. (2019)
  2. "Growth of ZIF-8 on Molecularly Ordered 2-Methylimidazole/Single-walled Carbon Nanotubes to Form Highly Porous, Electrically Conductive Composites."  James E Ellis, Zidao Zeng, Sean I Hwang, Shaobo Li, Tian-Yi Luo, Seth C Burkert, David L White, Nathaniel L Rosi, Jeremiah J Gassensmith, and Alexander Star.  Journal of Chemical Science 10.3 (2019)
  3. "A Correlated Series of Au/Ag Nanoclusters Revealing the Evolutionary Patterns of Asymmetric Ag Doping."  Yingwei Li, Tian-Yi Luo, Meng Zhou, Yongbo Song, Nathaniel L Rosi, and Rongchao Jin.  J. ACS 140.43 (2018)
  4. "Total Structure Determination of Au16(S-Adm)12 and Cd1Au14(StBu)12 and Implications for the Structure of Au15(SR)13."  Sha Yang, Shuang Chen, Lin Ziong, Chong Liu, Haizhu Yu, Shuxin Wang, Nathaniel L Rosi, Yong Pei, and Manzhou Zhu.  J. ACS 140.35 (2018)
  5. "Programmable topology in new families of heterobimetallic metal-organic frameworks," P.F. Muldoon, C. Liu, C.C. Miller, S.B. Koby, A. Gamble Jarvi, T.Y. Luo, S. Saxena, M. O’Keeffe, and N.L. Rosi, J. Am. Chem. Soc.140, 6194 (2018). 
Department of Chemistry, Carnegie Mellon University
Ph.D. Chemistry, Northwestern University, Illinois, 2003

Our research focuses on fundamental science and engineering questions motivated by the creation of materials on the nanometer scale (1 nm=10-9 m). Our research themes include the synthesis, characterization, and applications of nanoparticles (typically 1-100 nm in size). We are developing chemical methods for synthesizing well defined nanoparticles, including atomically precise nanoclusters, shape- and size-controlled nanocrystals, hybrid nano-architectures, and inorganic/polymer nanocomposites. In-depth characterizations of the physical and chemical properties of nanoparticles and self-assembled nanomaterials are carried out with microscopy and spectroscopy techniques, such as electron microscopy, atomic force microscopy, X-ray crystallography, steady-state and ultrafast spectroscopies, etc. We also develop applications of nanoparticles in areas of catalysis, optics, chemo- and bio-sensing, and photovoltaics, etc.

Selected Publications: 
  1. “Correlating second harmonic optical responses of single Ag nanoparticles with morphology”, Jin, R.; Jureller, J.E.; Kim, H.Y.; Scherer, N.F. J. Am. Chem. Soc.127, 12482 (2005).
  2. “Synthesis of open-ended, cylindrical Au-Ag alloy nanostructures on a Si/SiOx surface”, Zhang, H.; Jin, R.; Mirkin, C.A. Nano Lett., 4, 1493 (2004).
  3. “Thermally-induced formation of atomic Au clusters and conversion into nanocubes”, Jin, R.; Egusa, S.; Scherer, N.F. J. Am. Chem. Soc.126, 9900 (2004).
  4. “Controlling anisotropic nanoparticle growth through plasmon excitation”, Jin, R.; Cao, Y.W.;  Hao, E.; Metraux, G.S.; Schatz, G.C.; Mirkin, C.A.; Nature425, 487 (2003).
  5. “Raman dye-labeled nanoparticle probes for proteins”, Cao, Y.C.; Jin, R.; Nam, J.M.; Thaxton, C.S.; Mirkin, C.A. J. Am. Chem. Soc.125, 14676 (2003).
Most Cited Publications
  1. "Photoinduced conversion of silver nanospheres to nanoprisms", R Jin, YW Cao, CA Mirkin, KL Kelly, GC Schatz, JG Zheng, science, 294, 1901 (2001).
  2. "Nanoparticles with Raman spectroscopic fingerprints for DNA and RNA detection", YWC Cao, R Jin, CA Mirkin, Science 297, 1536 (2002).
  3. "Controlling anisotropic nanoparticle growth through plasmon excitation", R Jin, YC Cao, E Hao, GS Métraux, GC Schatz, CA Mirkin, Nature 425, 487 (2003).
  4. "Correlating the crystal structure of a thiol-protected Au25 cluster and optical properties", M Zhu, CM Aikens, FJ Hollander, GC Schatz, R Jin, Journal of the American Chemical Society 130 , 5883 (2008).
  5. "What controls the melting properties of DNA-linked gold nanoparticle assemblies?", R Jin, G Wu, Z Li, CA Mirkin, GC Schatz, Journal of the American Chemical Society 125, 1643 (2003).
Recent Publications
  1. "Remarkable Effect of BaO on Photocatalytic H2 Evolution from Water Splitting via TiO2 (P25) Supported Palladium Nanoparticles."  Ejaz Hussain, Imran Majeed, Muhammad Amtiaz Nadeem, Azhar Iqbal, Yuxiang Chen, Mohammad Choucair, Rongchao Jin, and Muhammad Arif Nadeem.  Journal of Environmental Chemical Engineering 7.1. (2019)
  2. "Atomically Tailored Gold Nanoclusters for Catalytic Application."  Rongchao Jin, Tatsuya Higaki, Yingwei Li, Shuo Zhao, Qi Li, Site Li, et. al.  Angewandte Chemie (2019)
  3. "Reversible Control of Chemoselectivity in Au38 (SR) 24 Nanocluster-Catalyzed Transfer Hydrogenation of Nitrobenzaldehyde Derivatives." Zhao, Jianbo, Qi Li, Shengli Zhuang, Yongbo Song, David J. Morris, Meng Zhou, Zhikun Wu, Peng Zhang, and Rongchao Jin. The journal of physical chemistry letters (2018).
  4. "Sensitive X-ray Absorption Near Edge Structure Analysis on the Bonding Properties of Au30 (SR) 18 Nanoclusters." Yang, Rui, David J. Morris, Tatsuya Higaki, Matthew J. Ward, Rongchao Jin, and Peng Zhang. ACS Omega 3, no. 11 (2018): 14981-14985.
  5. "Toward the Tailoring Chemistry of Metal Nanoclusters for Enhancing Functionalities." Higaki, Tatsuya, Qi Li, Meng Zhou, Shuo Zhao, Yingwei Li, Site Li, and Rongchao Jin. Accounts of chemical research (2018).

Highly Efficient Strategy for Constructing New Types of Peptide Macrocycles

  • By Burcu Ozden
  • 10 April 2018

Peng Liu and his colleagues report a highly efficient and generally applicable strategy for constructing new types of peptide macrocycles using palladium-catalyzed intramolecular C(sp3)–H arylation reactions on their newly published paper in Nature Chemistry. 

This strategy provides a powerful tool to address the long-standing challenge of size- and composition-dependence in peptide macrocyclization, and generates novel peptide macrocycles with uniquely buttressed backbones and distinct loop-type three-dimensional structures.

Department of Chemistry
PhD, Chemistry, Harvard University

Raúl Hernández Sánchez's research group is interested in combining supramolecular, inorganic, and materials chemistry to synthesize functional systems that bridge the gap between nanoscale materials and molecular chemistry. Their research is focused on developing new synthetic methodologies to access well-defined nanometer-sized clusters where they can investigate surface structure-function relationships relevant in catalytic and magnetic materials. Other efforts in the Hernández Sánchez (HS) group are aimed at designing and synthesizing structural analogues of carbon nanotubes where exquisite control of the resulting framework allows for properties manipulation.

Students in the HS group will engage in synthetic chemistry and develop familiarity with a range of spectroscopic, electrochemical, crystallographic and magnetic techniques. While rooted in synthetic chemistry, research in the HS group will interface with materials, organic, theory, and physical chemistry.

Most Cited Publications
  1. "High total proton conductivity in large-grained yttrium-doped barium zirconate," Y Yamazaki, R Hernandez-Sanchez, SM Haile, Chemistry of Materials 21, 2755 (2009
  2.  "Cation non-stoichiometry in yttrium-doped barium zirconate: phase behavior, microstructure, and proton conductivity," Y Yamazaki, R Hernandez-Sanchez, SM Haile, Journal of Materials Chemistry 20, 8158 (2010)
  3. "Disulfide Reductive Elimination From an Iron (III) Complex." Janice L. Wong, R Hernandez-Sanchez, Jennifer Glancy Logan, et. al.  Chemical Science 4.4 (2013)
  4. "Probing the role of an Fe IV Tetrazene in Catalytic Aziridination."  S Alan Cramer, R Hernandez-Sanchez, Desiraw F Brakhage, David M Jenkins.  Chemical Communications 50.90 (2014)
  5. "A Remarkably Active Iron Catecholate Catalyst Immobilized in a Porous Organic Polymer." Steven J. Kraft, R Hernandez-Sanchez, and Adam S Hock.  ACS Catalysis 3.5 (2013)
Recent Publications
  1. "Defying strain in the synthesis of an electroactive bilayer helicene." Milton, Margarita, Nathaniel J. Schuster, Daniel W. Paley, Raúl Hernández Sánchez, Fay Ng, Michael L. Steigerwald, and Colin Nuckolls. Chemical Science (2018).
  2. "Thermally persistent high spin ground states in octahedral iron clusters." Hernández Sánchez, Raúl, and Theodore A. Betley. Journal of the American Chemical Society (2018).
  3. "Electron Cartography in Clusters." Raúl Hernández Sánchez, Anouck M Champsaur, Bonnie Choi, Suyin Grass Wang, et. al.  Angewande Chemie International 57.42 (2018)
  4. "Hollow Organic Capsules Assemble Into Cellular Semiconductors."  Boyuan Zhang, Raúl Hernández Sánchez, Yu Zhong, et. al.  Nature Communications 9.1. (2018)
  5. "A Helicene Nanoribbon with Greatly Amplified Chirality."  Nathaniel J Schuster, Raúl Hernández Sánchez, Saria Bukharina, et. al.  ACS 140.20 (2018)
Department of chemistry, University of Pittsburgh
Ph.D. in Chemistry: Cornell University,1997

Saxena Group is focused on developing Fourier Transform electron spin resonance and its application to otherwise inaccessible problems in biophysics. The coupling of electron spin angular momentum to its environment—as revealed by the ESR spectrum—provides rich information about the electronic, structural and dynamical properties of the molecule. Saxena group creates the methods that measure the precise distance between two units in a protein, in order to determine their folding patterns and conformational dynamics. These ESR Spectroscopic Rulers— based on multiple quantum coherences and double resonance experiments—are unique in that they resolve distances in the 1-16 nm length scale even on bulk amorphous materials. Much of this work is based on the use of first-principles theory to develop new experimental protocols and to analyze experimental results.

His group continues to develop applications of these spectroscopic rulers that range from capturing the essence of structural changes - such as misfolding - in proteins, to measuring the atomic-level details of ion-permeation in a ligand gated ion-channel. The main projects of his group include:

  • Pulsed ESR methods to measure distance constraints in systems containing paramagnetic metals
  • Measurement of structural and dynamical determinants of the protein-DNA interactions and functional dynamics in pentameric ligand gated ion-channels.
  • Application of the spectroscopic ruler to measure and predict global structures of nanostructured materials.
  • Role of metals in aggregation of Amyloid-β peptide.
Most Cited Publications
  1. "Nonlinear-least-squares analysis of slow-motion EPR spectra in one and two dimensions using a modified Levenberg–Marquardt algorithm," D. E. Budil, S. Lee, S. Saxena, J. H. Freed, Journal of Magnetic Resonance, Series A 120, 155 (1996)
  2. "Amplification of xenon NMR and MRI by remote detection," A. J. Moulé, M. M. Spence, S. I. Han, J. A. Seeley, K. L. Pierce, S Saxena, A. Pines. Proceedings of the National Academy of Sciences 100, 9122 (2003)
  3. "Double quantum two-dimensional Fourier transform electron spin resonance: distance measurements," S. Saxena, J. H. Freed, Chemical physics letters 251,102 (1996)
  4. "Theory of double quantum two-dimensional electron spin resonance with application to distance measurements," J Freed, S. Saxena, Jounal of Chemiical Physics 107, 1317-1340 (1997).
  5. "Direct evidence that all three histidine residues coordinate to Cu (II) in amyloid-β1− 16," B. Shin, S. Saxena, Biochemistry 47, 9117 (2008)
Recent Publications
  1. "Integrative Structure Determination of α7nAChR Intracellular Domain."  Marta M Wells, Vasyl Bondarenko, Tommy S Tillman, Sunil Saxena, et. al.  Biophysical Journal 116.3  (2019)
  2. "Increasing Nitroxide Lifetime in Cells to Enable In-Cell Protein Structure and Dynamics Measurements by Electron Spin Resonance Spectroscopy."  Kenvin Singewald, Matthew J Lawless, and Sunil Saxena.  Journal of Magnetic Resonance 299 (2019)
  3. "Efficient Localization of a Native Metal Ion within a Protein by Cu 2+-based EPR Distance Measurements."  Austin Gamble Jarvi, Timothy F Cunningham, and Sunil Saxena.  Physical Chemistry Chemical Physics (2019)
  4. "EPR Spectroscopy Detects Various Active State Conformations of the Transcriptional Regulator CueR."  Hila Sameach, Shreya Ghosh, Lada Gevorkyan-Airapetov, Sunil Saxena, and Sharon Ruthstein.  Angewandte Chemie International Edition (2019)
  5. "Cu (II) EPR Reveals Two Distinct Binding Sites and Oligomerization of Innate Immune Protein Calgranulin C."  Shreya Ghosh, Velia Garcia, Kevin Singewald, Steven M Damo, and Sunil Saxena.  Applied Magnetic Resonance 49.11 (2018)

Molecular Phenotypes of Structurally Homologous ETS Transcriptions Factors

Gregory Poon
Thursday, September 28, 2017 - 4:30pm

 ETS transcription factors comprise an evolutionarily related family of genetic regulators that are ubiquitous in animals and control a myriad of physiologically critical processes. ETS proteins are united by a highly conserved DNA-binding domain, with overlapping target DNA preferences on the one hand, but are functionally diverse and non-redundant on the other. This so-called ìspecificity conundrumî besets not only our understanding of ETS homologs but also the structure-activity relationships of eukaryotic transcription factors in general. Translationally, it hampers efforts to develop...

Chemical Theory, Models and Computational Methods (CTMC)

  • By Aude Marjolin
  • 29 August 2016

The program supports the discovery and development of theoretical and computational methods or models to address a range of chemical challenges, with emphasis on emerging areas of chemical research. Proposals that focuson established theoretical or computational approaches should involve innovative additions or modifications that substantially broaden their applicability.

Areas of interest include, but are not limited to, electronic structure, quantum reaction dynamics, statistical mechanics, molecular dynamics, and simulation and modeling techniques for molecular systems and systems in condensed phases. Areas of application span the full range of chemical systems from small molecules to mesoscopic aggregates, including single molecules, biological systems and materials in condensed phases.