From Periodic Properties to a Periodic Table Arrangement

Abstract

A periodic table is constructed from the consideration of periodic properties and the application of the principal components analysis technique. This procedure is useful for objects classification and data reduction and has been used in the field of chemistry for many applications, such as lanthanides, molecules, or conformers classification. From the information given, the whole procedure can be reproduced by any interested reader having a basic background in statistics and with the help of the supplementary material provided. Intermediate calculations are instructive because they quantify several concepts the students know only at a qualitative level. The final scores representation reveals an unexpected periodic table presenting some interesting features and points for discussion.

Identification of Edible Oils by Principal Component Analysis of 1H NMR Spectra

“…Several types of student experiences involving chemometrics have been reported in this Journal. ,− Some involve students only in the statistical analysis of provided data, − while others involve students in both data collection and analysis. ,, Wanke and Stauffer reported a lab in which students use IR spectroscopy and chemometrics to quantify the components of a ternary mixture of alcohols. Stitzel and Sours reported an interesting HPLC analysis for the theobromine and caffeine content of single-origin chocolate samples, followed by the clustering technique DA to help determine the origin of the chocolate samples.…”

Teaching Principal Component Analysis Using a Free and Open Source Software Program and Exercises Applying PCA to Real-World Examples

“…The introduction of general information and chemometric concepts was carried out using Besalú’s paper . There are several papers in this Journal dealing with the periodic table and grouping elements together by similarities in their chemical properties. − Using atomic properties to teach PCA has a high pedagogical value, since students are familiar with the periodic table and, with the analysis, are able to observe that chemical elements are grouped together according to similarities in their properties.…”

“…In this paper, we present a method for doing the PCA analysis using R, a light-weight, free, and open source cross-platform piece of software, and we offer an addition to already existing laboratory experiments dealing with PCA analysis. ,− …”

Principal Component Analysis (PCA) and Statistical Tests Using Factoshiny and R Commander.

“…The new variables are projection coefficients of the old variables in new PCs. 6 There are several examples of PCA as a learning model in this Journal such as analysis of stainless-steel standard using laser-induced breakdown spectroscopy, 7 classification of vegetable oils using FTIR, 8 analysis of air quality, 9 identification of edible oils using 1 H NMR, [10][11][12] classification of river sediments using its heavy metals concentration 13 Identification of the arabica and robusta varieties of green coffee beans using 1 H NMR, 14 recognizing the origin of sand specimens by diffuse reflectance infrared fourier transform spectroscopy, 15 Classification of representative elements 16 and lanthanides 17 using its chemical properties, discover chocolates origin using HPLC, 18 metabolomics of horse blood using HPLC-MS, 19 When we were working with a large data set and looking to extract relevant information from it, we could use boxplots and plots of means, because these plots provide better visualization of the data set than spreadsheets. 20,21 However, spreadsheets cannot do boxplots and graphics of means, where these plots can be done using R Commander.…”