Structure-Property Relationships 

Porphyrins

19) R. F. Lalisse, C. M. Hadad, C. Brückner, M. J. Guberman-Pfeffer. [3 + 2]-Cycloadditions with Porphyrin β,β′-Bonds: Theoretical Basis of the Counterintuitive meso-Aryl Group Influence on the Rates of Reaction. J. Org. Chem. 2022, 87 (24), 16473–16482.

18) M. Wolf, J. J. Ortiz-Garcia, M. J. Guberman-Pfeffer, J. A. Gascón, R. C. Quardoku. Electronic energy levels of porphyrins are influenced by the local chemical environment. RSC Adv., 2022, 12, 1361.

17) N. Hewage, M. J. Guberman-Pfeffer, N. Chaudhri, M. Zeller, J. A. Gascón, C. Brückner. Syntheses and Aromaticity Parameters of Hexahydroxypyrrocorphin, Porphotrilactones, and Their Oxidation State Intermediates. J. Org. Chem. 2022, 87 (18), 12096–12108.

16) N. Chaudhri, M. J. Guberman-Pfeffer, M. Zeller, C. Brückner. Stepwise Reduction of β-Trioxopyrrocorphins: Collapse of the Oxo-Induced Macrocycle Aromaticity. J. Org. Chem. 2022, 87 (11), 7179–7192.

15) C. Brückner, N. Chaudhri, D. E. Nevonen, S. Bhattacharya, A. Graf, E. Kaesmann, R. Li, M. J. Guberman-Pfeffer, T. Mani, A. Nimthong-Roldán, M. Zeller, A. A. P. Chauvet, V. Nemykin. Structural and Photophysical Characterization of All Five Constitutional Isomers of the Octaethyl‐β, β′‐dioxo‐bacterio‐and‐isobacteriochlorin Series. Eur. J. Chem. 2021, 27(65), 16189-16203.

14) D. Thuita, M. J. Guberman‐Pfeffer, C. Brückner. SNAr Reaction Toward the Synthesis of Fluorinated Quinolino[2,3,4‐at]porphyrins. Eur. J. Org. Chem. 2021, 318–323.

13) N. Chaudhri, M. J. Guberman-Pfeffer, R. Li, M. Zeller, C. Brückner. β-Trioxopyrrocorphins: pyrrocorphins of graded aromaticity. Chem. Sci., 2021, 12, 12292.

12) M. J. Guberman-Pfeffer, R. F. Lalisse, N. Hewage, C. Brückner, J.A. Gascón. Origins of the Electronic Modulations of Bacterio- and Isobacteriodilactone Regioisomers.  J. Phys. Chem. A. 2019, 123, 7470-7485.

11) N. Hewage, P. Daddario, K. S. F. Lau, M. J. Guberman-Pfeffer, J. A. Gascón, M. Zeller, C. O. Lee, G. E. Khalil, M. Gouterman, and C. Brückner, Bacterio- and Isobacteriodilactones by Stepwise or Direct Oxidations of meso-Tetrakis(pentafluorophenyl)porphyrin. J. Org. Chem. 2019, 84, 239–256.

10) B. Yang, N. Hewage, M. J. Guberman-Pfeffer, T. Wax, J. A. Gascón, J. Zhao, A. G. Agrios, C. Brückner. The limited extend of the electronic modulation of chlorins and bacteriochlorins through chromene-annulation. Phys. Chem. Chem. Phys. 2018, 20, 18233-18240.

9) M. J. Guberman-Pfeffer, J. A. Greco, L. P. Samankumara, M. Zeller, R. R. Birge, J. A. Gascón, C. Brückner. Bacteriochlorins with a Twist: Discovery of a Unique Mechanism to Red-Shift the Optical Spectra of Bacteriochlorins. J. Am. Chem. Soc. 2017, 139, 548-560.

Carotenoids

8) R. W. Tilluck, S. Ghosh, M. J. Guberman-Pfeffer, J. D. Roscioli, J.K. Gurchiek, A. M. LaFountain, H. A. Frank, J. A. Gascón, W. F. Beck. Interexciton nonradiative relaxation pathways in the peridinin-chlorophyll protein. Cell Rep. Phys. Sci. 2021, 2, 100380.

7) J. K. Gurchiek, J. B. Rose, M. J. Guberman-Pfeffer, R. W. Tilluck, S. Ghosh, J. A. Gascón, W. F. Beck. Fluorescence Anisotropy Detection of Barrier Crossing and Ultrafast Conformational Dynamics in the S2 State of β-Carotene. J. Phys. Chem. B. 2020, 124(41), 9029–9046.

6) M. J. Guberman-Pfeffer, J. A. Gascón. Carotenoid-Chlorophyll Interactions in a Photosynthetic Antenna Protein: A Supramolecular QM/MM Approach. Molecules. 2018, 23, 2589-2601.

5) M. J. Guberman-Pfeffer, J. A. Greco, R. R. Birge, H. A. Frank, J. A. Gascón. Light Harvesting by Equally Contributing Mechanisms in a Photosynthetic Antenna Protein. J. Phys. Chem. Let. 2018, 9, 563-568.

Nanoparticles

4) D. Sengupta, S. Goswami, R. Banerjee, M. J. Guberman-Pfeffer, A. Patra, A. Dutta, R. Pramanick, S. Narasimhan, N. Pradhan, V. Batista, T. Venkatesan, S. Goswami.  Size-selective Pt siderophores based on redox active azo-aromatic ligands. Chem. Sci. 2020, 11, 34, 9226-9236.

3) B. Varnholt, B., M. J. Guberman-Pfeffer, P. Oulevey, S. Antonello, T. Dainese, J. A. Gascón, T. Bürgi, F. Maran. Vibrational Coupling Modulation in n-Alkanethiolate Protected Au25 (SR) 180 Clusters. J. Phys. Chem. C, 2016, 120, 25378–25386.

 2) M. J. Guberman-Pfeffer, J. Ulcickas, J.A. Gascón. Connectivity-based biocompatible force field for thiolated gold nanoclusters. J. Phys. Chem. C, 2015, 119, 27804-27812.

Peptides

1) T. Zeko, S. F. Hannigan, T. Jacisin, M. J. Guberman-Pfeffer, E. R. Falcone, M. J. Guildford, C. Szabo, K. E. Cole, J. Placido, E. Daly. FT-IR Spectroscopy and Density Functional Theory Calculations of 13C Isotopologues of the Helical Peptide Z-Aib6-OtBu. J. Phys. Chem. B, 2013, 118, 58-68.