The chemical reactions underlying the emission of light in fireflies and other bioluminescent
beetles are some of the most thoroughly studied processes by scientists worldwide. Despite …

Bioluminescence (BL) is an amazing natural phenomenon whose visible light is produced
by living organisms. BL phenomenon is quite pervasive and has been observed in 17 phyla …

PyDFT-QMMM is a Python-based package for performing hybrid quantum
mechanics/molecular mechanics (QM/MM) simulations at the density functional level of …

We present a computational investigation of the absorption spectrum in water of 5, 5-
spirocyclopropyl-oxyluciferin (5, 5-CprOxyLH), an analogue of the emitter compound …

Amide–imide tautomerization presents a pervasive class of chemical transformations in
organic chemistry of natural compounds. In this Perspective, we describe two distinctively …

The continued growth in phthalate esters (PAEs) production (∼ 8 million tons per year) has
led to the increased emissions of PAEs into atmospheric, soil, and aquatic environments …

Firefly bioluminescence is produced via luciferin enzymatic reactions in luciferase. Luciferin
has to be unceasingly replenished to maintain bioluminescence. How is the luciferin …

Systematic analysis of molecular recognition is critical for understanding the biological
function of macromolecules. For the immunomodulatory protein D-dopachrome tautomerase …

The emitted color in fireflies' bioluminescent systems depends on the beetle species the
system is extracted from and on different external factors (pH, temperature…) among others …

Protein engineering has emerged as a transformative field in industrial biotechnology,
enabling the optimization of enzymes to meet stringent industrial demands for stability …