Related Products of 99365-40-9, Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, 99365-40-9, Name is 6-Bromoindolin-2-one, SMILES is O=C1NC2=C(C=CC(Br)=C2)C1, belongs to indolines-derivatives compound. In a article, author is Krishna, Jillella Gopala, introduce new discover of the category.
Chemometric modeling of power conversion efficiency of organic dyes in dye sensitized solar cells for the future renewable energy
The present study reports chemometric modeling of power conversion efficiency (PCE) of dye sensitized solar cells (DSSCs) using the biggest available data set till date which comprises around 1200 dyes covering 7 chemical classes. To extract the best structural features required for higher PCE, we have developed multiple partial least squares (PLS) quantitative structure-property relationship (QSPR) models for the Triphenylamine, Phenothiazine, Indoline, Porphyrin, Coumarin, Carbazole and Diphenylamine chemical classes using descriptors derived from the best subset selection method followed by selection of best five models in each dataset based on the Mean Absolute Error (MAE) values. The models were validated both internally and externally followed by the consensus predictions employing Intelligent Consensus Predictor tool to examine whether the quality of predictions can be improved with the intelligent selection of multiple PLS models. The quality of predictions for the respective external sets showed that the consensus models (CM) are better than the individual models (IM) in most of the cases. From the insights of the developed models, we concluded that attributes like a packed structure toward higher conductivity of electrons, auxiliary donor fragment of aromatic tertiary amines, number of thiophenes inducing the bathochromic shift and augmenting the absorption, presence of additional electron donors, enhancement of electron-donating abilities, number of non-aromatic conjugated C(sp(2)) which helps as conjugation extension units to broaden the absorption and highly conjugated pi-systems exert positive contributions to the PCE. On the contrary, features negatively contributing to PCE are the followings: fragments which lower the tendency of localized pi-pi* transition, fragments related to larger volume and surface area of dyes along with hydrophobicity resulting in poor adhesion, fragment RC = N causing dye hydrolysis, steric hindrance for pi electronic mobility, fragments enhancing polarity, etc. The identified features from the best QSPR model of the coumarin dataset was employed in designing of ten more efficient coumarin dyes (predicted %PCE ranging from 8.93 to 10.62) than the existing ones.
Related Products of 99365-40-9, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. I hope my blog about 99365-40-9 is helpful to your research.