Recent developments in symmetry‐adapted perturbation theory

K Patkowski - Wiley Interdisciplinary Reviews: Computational …, 2020 - Wiley Online Library
Symmetry‐adapted perturbation theory (SAPT) is a well‐established method to compute
accurate intermolecular interaction energies in terms of physical effects such as …

Fullerene C 24 as a potential carrier of ephedrine drug–a computational study of interactions and influence of temperature

BT Tomić, CS Abraham, S Pelemiš… - Physical Chemistry …, 2019 - pubs.rsc.org
Interactions between fullerene C24 and a frequently used supplement for sport activities,
ephedrine (EPH), have been studied in detail by a combination of density functional theory …

Infrared Signatures of Phycobilins within the Phycocyanin 645 Complex

PP Roy, C Leonardo, K Orcutt, C Oberg… - The Journal of …, 2023 - ACS Publications
Aquatic photosynthetic organisms evolved to use a variety of light frequencies to perform
photosynthesis. Phycobiliprotein phycocyanin 645 (PC645) is a light-harvesting complex in …

Consistent Model of Ultrafast Energy Transfer in Peridinin Chlorophyll-a Protein Using Two-Dimensional Electronic Spectroscopy and Förster Theory

ZSD Toa, MH Degolian, CC Jumper… - The Journal of …, 2019 - ACS Publications
Solar light harvesting begins with electronic energy transfer in structurally complex light-
harvesting antennae such as the peridinin chlorophyll-a protein from dinoflagellate algae …

Cp* Ir complex with mesobiliverdin ligand isolated from Thermoleptolyngbya sp. O-77

K Yamada, T Yatabe, KS Yoon, S Ogo - Journal of Organometallic …, 2022 - Elsevier
We developed a new method to isolate a natural pigment of mesobiliverdin IXα (MBV)
directly from phycocyanin of Thermoleptolyngbya sp. O-77 and synthesized a water-soluble …

Computational study of the interaction of the psychoactive amphetamine with 1, 2-indanedione and 1, 8-diazafluoren-9-one as fingerprinting reagents

D Bhikharee, L Rhyman, P Ramasami - RSC advances, 2023 - pubs.rsc.org
In this study, we used computational methods to investigate the interaction of amphetamine
(AMP) with 1, 2-indanedione (IND) and 1, 8-diazafluoren-9-one (DFO) so as to understand …

Crystal structure of phycocyanin from heterocyst-forming filamentous cyanobacterium Nostoc sp. WR13

HM Patel, AW Roszak, D Madamwar… - International journal of …, 2019 - Elsevier
Phycocyanin (PC) is the principal pigment protein in the light-harvesting antenna of
cyanobacteria. Here the biochemical characterization and the 1.51 Å crystal structure of PC …

Spectroscopic and Photophysical Investigation of Model Dipyrroles Common to Bilins: Exploring Natural Design for Steering Torsion to Divergent Functions

CF Staheli, J Barney, TR Clark, M Bowles… - Frontiers in …, 2021 - frontiersin.org
Biliproteins are a unique class of photosynthetic proteins in their diverse, and at times,
divergent biophysical function. The two contexts of photosynthetic light harvesting and …

Mechanisms of Porphyrinoid and Carotenoid Spectral Tuning Revealed with Quantum Chemistry

MJ Guberman-Pfeffer - 2019 - digitalcommons.lib.uconn.edu
Continued advances in a myriad of biomedical and technological fields require the rational
design of molecules or supramolecular architectures with specific photophysical properties …