01237nas a2200157   4500008004100000245007900041210006900120260000800189490000700197520067300204100001800877700002600895700002000921700002700941856011100968       2019                        eng d00aSynthesis of hexaphenylbenzene-based template assembled synthetic proteins0 aSynthesis of hexaphenylbenzenebased template assembled synthetic  cAUG0 v603 a<p>Template-assembled synthetic proteins (TASPs) synthesized from rigid templates have attracted attention due to their interesting structural architectures and potential biomedical applications. Herein, we report the design, synthesis and characterizations of TASPs based on hexaphenylbenzene template (HPB) having twelve peptide attachable axial-arms in its structure. The peptides were attached to all the axial-arms of the template in a single step using simple solution phase peptide coupling strategy. The reaction conditions were standardized systematically using simple amines from smaller size to larger ones. (C) 2019 Elsevier Ltd. All rights reserved.</p>
1 aMadhu, Suresh1 aMadica, Krishnaprasad1 aGonnade, Rajesh1 aSanjayan, Gangadhar, J  uhttps://library.ncl.res.in/content/synthesis-hexaphenylbenzene-based-template-assembled-synthetic-proteins01673nas a2200133   4500008004100000245009900041210006900140260000800209490000600217520114900223100001801372700002101390856012801411       2021                        eng d00aStructural and computational investigation of an imine-based propeller-shaped macrocyclic cage0 aStructural and computational investigation of an iminebased prop  cFEB0 v33 aIn this study, we present the synthesis, spectroscopic and structural characterization of self-assembling gem-dimethyl imine based molecular cage (IMC). Self-assembling macrocycles and cages have well-defined cavities and have extensive functionalities ranging from energy storage, liquid crystals, and catalysts to water splitting photo absorber. IMC has large voids i.e., 25% of the total crystal volume thus could accommodate wide substrates. The synthesized imine-based molecular cages are stabilized by coaxial π bonded networks and long-range periodic van der Waal and non-bonded contacts as observed from the crystal structure. IMC also has typical properties of soft condensed matter materials, hence theoretical prediction of stress and strain tensor along with thermophysical properties were computed on crystal system and were found to be stable. Molecular dynamics revealed IMC is stabilized by, strong interactions between the interstitial phenyl rings. Density functional theory (DFT) based physicochemical properties were evaluated and has band gap of around 2.38ev (520 nm) similar to various photocatalytic band gap materials.1 aMadhu, Suresh1 aRaghavan, Sriram  uhttps://library.ncl.res.in/content/structural-and-computational-investigation-imine-based-propeller-shaped-macrocyclic-cage