Special Issue "Computer-Aided Separation Analysis"
A special issue of Separations (ISSN 2297-8739).
Deadline for manuscript submissions: closed (31 December 2021) | Viewed by 1975
Interests: analytical chemistry; mathematic separation; data mining; Finnee; high-resolution mass spectrometry; hyphenated techniques; MATLAB; metabolomics; open-source software and hardware
Computer-aided separation analysis refers to the use of software and algorithms designed to improve and automatize peak detection or measurement in separation profiles (chromatogram, electropherogram, etc.). Typical algorithms include peak picking, baseline drift correction, smoothing and filtering, mathematical peak models and fitting, and spectral deconvolution. These techniques have increasingly been used in untargeted analyses of hyphenated data, where thousands of peaks need to be detected and accurately measured. Computer-aided separation analysis also allows quantifying non-baseline separated peaks with a mathematical model. Peak modeling is also particularly useful to measure and understand physicochemical processes that occur during separation and, thus, to optimize the separation efficiency.
This Special Issue invites contributions in the form of original research articles or reviews on the current advances or evaluation of computer-aided separation analysis. Manuscripts focusing on computer-aided separation optimization are also welcome.
Dr. Guillaume L. Erny
Manuscript Submission Information
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed. Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent to the Editorial Office for announcement on this website.
Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. Separations is an international peer-reviewed open access monthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2000 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
- baseline drift correction
- mathematical modeling and computer simulation of separative transport
- peak modeling and fitting
- separation optimization
- spectral deconvolution