The structural, mechanical, electronic and bonding properties of dilithium hexaboride (Li2B6) and isostructural hypothetic compounds obtained by replacing Li atoms in different sites to magnesium atoms have been investigated by first-principles density functional pseudopotential plane wave calculations.
Compound clusters are constructed by replacing the conformers with the respective compounds (in the right panel).
Structure activity relationships of this class of compounds were investigated further by replacing the 2,4-pentadienoyl chain with suitable spacers able to maintain the correct orientation and distance between the indole ring and the amide moiety.
CHEBI:50047 organic amino compound A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by organyl groups.
A scalable technique was introduced to produce high volume lightweight composites using sheet molding compound (SMC) manufacturing method by replacing 10 wt% glass fibers (GF) with a small amount of cellulose nanocrystals (CNC).
The quaternary Cu2ZnSnS4 (CZTS) compound, derived from CuInS2 by replacing In III) with Zn II) and Sn(IV), has the advantages of optimum direct band gap (around 1.5 eV) for use in single-junction solar cells, abundance of the constituent elements, and high absorption coefficient (>104 cm-1) [1 5].
Based upon two thermally activated delayed fluorescence (TADF) emitters 1 and 2, compounds 3 6 have been designed by replacing the carbazol group with the bis(4-biphenyl)amine one (3 and 4) and introducing the electron-withdrawing CF3 group into the acceptor unit of 3 and 4 (5 and 6).
If ISS has high specificity in retrieving active compounds, the reverse version of ISS by replacing active references in the neighbor list with inactive references should also retain the ability to identify inactive compounds.
The health hazards can be reduced by replacing some toxic compounds with less toxic ones and by hygienic (ventilation, skincare, no cleaning of application materials under the tap) measures.
Lead compound 3, with selective Aβ42-lowering activity, was modified by replacing its imidazolylphenyl moiety with an oxazolylphenyl moiety.
