A Multivariate Image Analysis (MIA) laboratory activity was proposed estimating pH of drinking water samples from its digital images after adding bromothymol blue as a pH indicator, and using the PLS multivariate calibration method. All computational work was done using GNU Octave free software. The MIA-PLS based approach exemplified with drinking water pH estimates is tailored to meet the needs of both students and researchers. MIA-PLS method was statically equivalent to the reference method using a conventional glass pH electrode. This lab activity combines analytical methodology, computing, and chemometrics.
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A new green analytical chemistry method using a computer vision approach is proposed to measure alkalinity, Ca2+ and Mg2+ hardness, and total hardness of drinking water samples.
We design and synthesize a set of homologous organic molecules by taking advantage of facile and tailorable Suzuki cross coupling reactions to produce triarylbenzene derivatives. By adjusting the number and the arrangement of conjugated rings, the identity of heteroatoms, lengths of fluorinated alkyl chains, and other interaction parameters, we create a library of glassformers with a wide range of properties. Measurements of the glass transition temperature (Tg) show a power-law relationship between Tg and molecular weight (MW), with of the molecules, with an exponent of 0.3 ± 0.1, for Tg values spanning a range of 300–450 K. The trends in indices of refraction and expansion coefficients indicate a general increase in the glass density with MW, consistent with the trends observed in Tg variations. A notable exception to these trends was observed with the addition of alkyl and fluorinated alkyl groups, which significantly reduced Tg and increased the dynamical fragility (which is otherwise insensitive to MW). This is an indication of reduced density and increased packing frustrations in these systems, which is also corroborated by the observations of the decreasing index of refraction with increasing length of these groups. These data were used to launch a new database for glassforming materials, glass.apps.sas.upenn.edu.
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