Prediction of n-octanol/water partition coefficients and acidity constants (pKa) in the SAMPL7 blind challenge with the IEFPCM-MST model

A Viayna, S Pinheiro, C Curutchet, FJ Luque… - Journal of Computer …, 2021 - Springer
Within the scope of SAMPL7 challenge for predicting physical properties, the Integral
Equation Formalism of the Miertus-Scrocco-Tomasi (IEFPCM/MST) continuum solvation …

[HTML][HTML] Charge transfer states in phycobilisomes

M Wahadoszamen, TPJ Krüger, AM Ara… - … et Biophysica Acta (BBA …, 2020 - Elsevier
Phycobilisomes (PBs) absorb light and supply downstream photosynthetic processes with
excitation energy in many cyanobacteria and algae. In response to a sudden increase in …

Spectral variability in phycocyanin cryptophyte antenna complexes is controlled by changes in the α‐polypeptide chains

M Corbella, L Cupellini, F Lipparini… - …, 2019 - Wiley Online Library
Quantitative models of light harvesting in photosynthetic antenna complexes depend
sensitively on the challenging determination of the relative site energies of the pigments …

Biliverdin's Propionic Chains Influence Oligomerization in Sandercyanin

E Mainas, GM Curtin, SD Riddles… - The Journal of Physical …, 2024 - ACS Publications
Sandercyanin is a mildly fluorescent biliprotein with a large Stokes shift, a tetrameric
quaternary structure, and a biliverdin (BV) chromophore that does not covalently bond to the …

Unraveling the role of thermal fluctuations on the exciton structure of the cryptophyte PC612 and PC645 photosynthetic antenna complexes

B Ozaydin, C Curutchet - Frontiers in Molecular Biosciences, 2023 - frontiersin.org
Protein scaffolds play a crucial role in tuning the light harvesting properties of photosynthetic
pigment-protein complexes, influencing pigment-protein and pigment-pigment excitonic …

Redshifting and Blueshifting of β82 Chromophores in the Phycocyanin Hexamer of Porphyridium purpureum Phycobilisomes Due to Linker Proteins

H Kikuchi - Life, 2022 - mdpi.com
Phycobilisomes in cyanobacteria and red algae are large protein complexes that absorb
light and transfer energy for use in photosynthesis. The light energy absorbed by …

Functional roles of the hexamer structure of C‐phycocyanin revealed by calculation of absorption wavelength

H Kikuchi - FEBS Open bio, 2021 - Wiley Online Library
Cyanophyta‐phycocyanin (C‐PC) is the main constituent of the rod of phycobilisome (PBS),
which is a highly ordered and large peripheral light‐harvesting protein complex present on …

Design of dyes for energy transformation: from the interaction with biological systems to application in solar cells

P Homem-de-Mello, CM Aono… - Green Chemistry and …, 2022 - Elsevier
Dyes are organic or organometallic compounds that absorb light in the visible range of the
electromagnetic spectrum. Applications of dyes include optical devices, especially dye …

Revealing structural involvement of chromophores in algal light harvesting complexes using symmetry-adapted perturbation theory

ZSD Toa, JC Dean, GD Scholes - Journal of Photochemistry and …, 2019 - Elsevier
The attribution of quantum beats observed in the time-resolved spectroscopy of
photosynthetic light-harvesting antennae to nontrivial quantum coherences has sparked a …

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 …