Sandrasegaram Gnanakaran

TL;DR: A SARS-CoV-2 variant carrying the Spike protein amino acid change D614G has become the most prevalent form in the global pandemic, and it is found that the G614 variant grows to higher titer as pseudotyped virions.

TL;DR: The isolation, evolution and structure of a broadly neutralizing antibody from an African donor followed from the time of infection and its co-crystal structure revealed a new loop-based mechanism of CD4-binding-site recognition.

TL;DR: Current advances in understanding the molecular bases of the low permeability barrier of Gram-negative pathogens, which is the major obstacle in discovery and development of antibiotics effective against such pathogens, are summarized.

TL;DR: How the synergistic activity of cellulases was enhanced by altering the hydrogen bond network within crystalline cellulose fibrils was demonstrated, which led to an enhancement in apparent cellulase activity and unique insight into the nature of cellulose recalcitrance.

Abstract: Lignin in plant cell walls is a potential renewable source of biofuels, chemicals, and value-added products. It consists of various aryl ethers, irregularly connected by a variety of linkages creating a complex structural network; hence, it is difficult to identify selective bond breaking events. In this study, we predict dissociation tendencies of a diverse set of lignin linkages encompassing 65 lignin model compounds using the density functional theoretical (DFT) approach. The chosen 65 lignin model compounds represent the most prevalent carbon–oxygen (ether) and carbon–carbon (C–C) bond linkages. Results from our systematic study identify the weakest and strongest linkages connecting arene rings in different classes of lignin model compounds. Also, the dissociating linkages can have different adjacent substituents, such as the methoxy group on the arene ring and hydrocarbon, methyl, and hydroxyl group substitutions on aliphatic carbon atoms. These substituents affect the ease of dissociation of lignin ...