News from Online: The Periodic Table of the Elements

Diener, Lynn

doi:10.1021/ed086p1163

Cited by 4 publications

(2 citation statements)

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“…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.…”

Section: Resultsmentioning

confidence: 99%

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

Sidou

Borges

2020

J. Chem. Educ.

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Principal component analysis (PCA) is one of the most important and powerful methods in chemometrics as well as in a wealth of other areas. Running a PCA results in two main elements, the score plot and the loading plot; the score plot provides the location of the samples, and the loading plot indicates correlations among variables, the trends in the grouping of samples, and the most important variables. In the past 10 years teaching chemometrics, we have struggled with not having free software with an easy to use graphical user interface for data handling and calculations. In this paper, we provide a series of examples that students used to carry PCA in R-Project, a free and open source software program. In the first example, students used PCA to find correlations among chemical properties of chemical elements and relate these properties with the periodic distribution of the elements. In the second example, meat samples were grouped using 14 variables, and students could observe how outlier samples might influence the PCA model; in this case, they were also taught how to use the t test to choose the variables that were significant to the PCA model. In the third example, healthy patients were differentiated from diabetic patients using 163 lipid concentrations. In the fourth example, Atlantic salmon samples were differentiated from catfish samples. In the fifth and sixth examples, students were able to observe how data treatment affects the classification of natural products and edible oils, respectively.

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Section: Resultsmentioning

confidence: 99%

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

Sidou

Borges

2020

J. Chem. Educ.

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“…Principal components analysis (PCA) − and the periodic table (PT) − are two topics that have been covered extensively but separately by this Journal . Here, both concepts are merged to obtain a PT representation according to PCA calculations made over a set of periodic properties.…”

mentioning

confidence: 99%

From Periodic Properties to a Periodic Table Arrangement

Besalú

2013

J. Chem. Educ.

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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.

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