Sharing my interests in Chemometrics and such . . .
For routine analysis of small molecules and metabolomics, there are existing data analysis frameworks for routine data analysis as well as recommended visualization aid. When using web-based platforms, these routine analyses and frameworks are difficult to tailor to a lab s needs and even harder to automate and sytematize. Although using a script language can enable [ ]
Open metabolomics databases are a wealth of knowledge for any researcher. Recently I have looked into accessing and querying their APIs to find chemical and metabolomics information programmatically. The four most frequently used databases I started with were: 1. Pubchem 2. KEGG: Kyoto Encyclopedia of Genes and Genomes 3. HMDB: The human metabolome database 4. Metabolomics workbench
This blog post is an attempt at raising an alarm about reproducibility in bibliometrics and specifically, patent statistics, and why reproducibility checks in these disciplines is lacking. Most importantly, why there are few fully detailed methodologies in these fields to encourage reproducible statistics. Reproducibility studies are infrequent in peer-review and receive very little attention over…
The peer-review process gets criticised a lot, with the use of a hypothetical Reviewer 2 as the big bad of peer-review. So . . . in the peer-review world, when reviewing a paper each reviewer gets assigned a reviewer number by the editor as a way to keep their anonymity (Some journals use alphabetical labelling). [ ]
The set-up for GC-MS/MS acquisition files seems pretty much universal. When extracted as cdf (common data format) files they have similar structure, variable, and dimension names. The files contain large data depending on the acquisition method set-up. They contain three-dimensional data but often in the software packages most technicians use two dimensional data, the chromatogram [ ]
This was part of a very interesting conference/symposium (Pangborn 2021) on sensory science which took place online. The link to the presentation can be found here. The aim of the study was to create a comprehensive data fusion strategy for craft beer and gin sensory descriptors and chemical data, where: Related published article: Mafata, M., [ ]
Wine composition is susceptible to change due to chemical processes such as oxidation resulting from high temperatures and oxygen exposure which may occur during storage and transportation. As a result, changes in sensory attributes may also occur, altering the sensory profile of wine. When it comes to subtle differences between samples, classical univariate analysis that [ ]
Advances in technology allow researchers nowadays to elucidate wine composition at a much deeper level and to overcome previously insurmountable issues such as interferences from the wine matrix. The determination of impact compounds such as thiols, found in wine at ultratrace levels (ng/L), is achievable using state-of-the-art instrumentation combined with appropriate sample preparation. This…
Grapes stored at low temperatures (0°C and 10°C) produce Cap Classique wines with less colour intensity and lower total phenolics (75 – 94 mg/l GAE). These wines have fruity, fresh and floral aroma attributes. Grapes stored at higher temperatures (25°C and 30°C) produce Cap Classique wines with greater colour intensity and higher total phenolics (95 [ ]
Not only was this an interesting study but also a very interesting concept with a devoted, well-organised community of experts (https://oldvineproject.co.za/). Aim of the study: To address the existence of the concept of “old vine character” using a multifaceted approach. Wines were made from grapes from various age vineyards (5-45 years) but with the same [ ]