3D-liquid chromatography as a complex mixture characterization tool for knowledge-based downstream process development

2016 ◽  
Vol 32 (5) ◽  
pp. 1283-1291 ◽  
Author(s):  
Alexander T. Hanke ◽  
Eleni Tsintavi ◽  
Maria del Pilar Ramirez Vazquez ◽  
Luuk A. M. van der Wielen ◽  
Peter D. E. M. Verhaert ◽  
...  
Keyword(s):  
Liquid Chromatography ◽  
Process Development ◽  
Complex Mixture ◽  
Downstream Process ◽  
Knowledge Based ◽  
Mixture Characterization

Concept for an integrated product and process development of electric drives using a knowledge-based system

2017 ◽  
Author(s):  
Andreas Mayr ◽  
Alexander Meyer ◽  
Philipp Gonnheimer ◽  
Jonas Gramlich ◽  
Maximilian Reiser ◽  
...  
Keyword(s):  
Process Development ◽  
Electric Drives ◽  
Knowledge Based System ◽  
Knowledge Based ◽  
Product And Process

scholarly journals Liquid chromatography–mass spectrometry analysis of dyes formed by in situ oxidative methods then purified by absorption and extraction from hair wefts

2020 ◽  
pp. 174751982097862
Author(s):  
M John Plater ◽  
Andrea Raab
Keyword(s):  
Mass Spectrometry ◽  
Liquid Chromatography ◽  
Complex Mixture ◽  
Ammonium Salts ◽  
Mass Spectrometry Analysis ◽  
Liquid Chromatography Mass Spectrometry ◽  
Spectrometry Analysis ◽  
Chromatography Mass Spectrometry ◽  
Didecyldimethylammonium Chloride

The dye mixtures formed from three commercial hair colour formers were purified by absorption onto human hair wefts, washed and dried, extracted with dichloromethane:trifluoroacetic acid (75:25) and then analysed by liquid chromatography–mass spectrometry. Only 1–2 dyes were identified from each complex mixture of commercial aromatic amines along with a broad UV absorption mainly consisting of mixtures of quaternary ammonium salts from shampoos and some surfactants. Mecetronium ethyl sulfate and didecyldimethylammonium chloride were the main ammonium salts.

scholarly journals Machine Learning Enhanced Spectroscopic Analysis: Towards Autonomous Chemical Mixture Characterization for Rapid Process Optimization

2022 ◽  
Author(s):  
Andrea Angulo ◽  
Lankun Yang ◽  
Eray S Aydil ◽  
Miguel A. Modestino
Keyword(s):  
Machine Learning ◽  
Process Optimization ◽  
Parameter Space ◽  
Chemical Process ◽  
Spectroscopic Analysis ◽  
Process Development ◽  
Operating Parameter ◽  
Optimization Methods ◽  
Chemical Mixture ◽  
Mixture Characterization

Autonomous chemical process development and optimization methods use algorithms to explore the operating parameter space based on feedback from experimentally determined exit stream compositions. Measuring the compositions of multicomponent streams...

GAS–LIQUID CHROMATOGRAPHY OF TERPENES: PART II. THE DEHYDRATION PRODUCTS OF α-TERPINEOL

1961 ◽  
Vol 39 (1) ◽  
pp. 1-12 ◽  
Author(s):  
E. Von Rudloff
Keyword(s):  
Liquid Chromatography ◽  
Oxalic Acid ◽  
Complex Mixture ◽  
Reaction Times ◽  
Gas Liquid Chromatography ◽  
Minor Components ◽  
Reaction Products ◽  
The Third ◽  
Major Reaction ◽  
Trace Constituents

The complex mixture of terpenes obtained on dehydrating α-terpineol with aqueous oxalic acid was almost completely separated by gas–liquid chromatography (GLC), using rapeseed oil as a new liquid phase. Terpinolene, dipentene, α- and γ-terpinene, Δ2,4(8)-p-menthadiene, and 1,8-cineole were identified as the major reaction products; three minor and seven trace constituents were also detected. One of the minor components was p-cymene, one an oxide, and the third an unidentified hydrocarbon. The yield of these components after different reaction times was determined by GLC. The initial dehydration gives terpinolene and dipentene in the ratio of approximately 2:1. Terpinolene is isomerized to α- and γ-terpinene, Δ2,4,(8)-p-menthadiene, and the unidentified hydrocarbon, but not to dipentene. 1,8-Cineole and the other oxide are formed in a reversible reaction. Dehydration of α-terpineol with several other acidic reagents yielded mixtures of products similar to that obtained with aqueous oxalic acid. With acetic acid or acetic anhydride, however, dipentene was formed preferentially and this reaction appears to proceed via the derived acetate.

scholarly journals Liquid chromatography–mass spectrometry analysis of cationic aniline dyes from the Technical University of Dresden Historical Collection of Dyes

2020 ◽  
Vol 44 (5-6) ◽  
pp. 326-335
Author(s):  
Michael John Plater ◽  
Andrea Raab ◽  
Horst Hartmann
Keyword(s):  
Mass Spectrometry ◽  
Liquid Chromatography ◽  
Complex Mixture ◽  
Mass Spectrometry Analysis ◽  
Liquid Chromatography Mass Spectrometry ◽  
Spectrometry Analysis ◽  
Left Hand ◽  
Chromatography Mass Spectrometry ◽  
Two Samples ◽  
Aniline Dyes

Liquid chromatography–mass spectrometry has been used to analyse a range of cationic aniline dyes from the 19th century. Mauveine from the Chandler museum is used as a standard for comparison. This consists of a typical W. H. Perkin mixture of mauveine A and B. Mauveine from a historic collection in Dresden is different and consists of mainly mauveine A and a monomethyl mauveine chromophore. Possible synthetic routes and its significance are discussed. Three samples of phenylated rosanilines have been analysed, and a list of 19 possible components compiled. An analysis by liquid chromatography–mass spectrometry works well on this complex mixture giving clear information on retention times and accurate mass molecular weights. Mono-, di- and triphenylrosanilines are present in two samples, and a third sample has mainly monophenylrosaniline. In each sample, a small amount of higher molecular weight homologues appear. The thin-layer chromatography plate, from left to right, has fuchsin or rosaniline then mono-, di- and triphenylrosaniline. The two spots on the right-hand side are blue, and the two spots on the left-hand side are red.

Sensitive, specific quantitative analysis of tacrolimus (FK506) in blood by liquid chromatography-electrospray tandem mass spectrometry

1996 ◽  
Vol 42 (2) ◽  
pp. 279-285 ◽  
Author(s):  
P J Taylor ◽  
A Jones ◽  
G A Balderson ◽  
S V Lynch ◽  
R L Norris ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Liquid Chromatography ◽  
Tandem Mass Spectrometry ◽  
Complex Mixture ◽  
Turnaround Time ◽  
Pharmacokinetic Studies ◽  
Tandem Mass ◽  
Blood Concentrations ◽  
Liquid Chromatography Tandem Mass ◽  
The Difference

Abstract The capacity of liquid chromatography-tandem mass spectrometry (LC-MS2) to detect and define individual components in a complex mixture has been utilized to develop a quantitative assay of the potent immunosuppressant drug, tacrolimus. Trough blood concentrations were measured in 175 samples obtained over several weeks after liver transplantation from seven patients. The assay was linear over the range of 0.2 to 100 micrograms/L. Imprecision was <8%, and accuracy was 99-101%. The turnaround time for a batch of 20 samples was 2.5 h. No interference from any of the other drugs being administered to the patients was evident. An ELISA also performed on the same samples overestimated the concentrations substantially, as indicated by a plot of the difference between the results for the two methods vs their mean. The favorable characteristics of the LC-MS2 assay, especially its sensitivity and specificity, will facilitate detailed pharmacokinetic studies of tacrolimus, particularly under circumstances in which metabolism is perturbed by either hepatic dysfunction or drug interactions.

Examination of a genetic algorithm for the application in high-throughput downstream process development

2012 ◽  
Vol 7 (10) ◽  
pp. 1203-1215 ◽  
Author(s):  
Katrin Treier ◽  
Annette Berg ◽  
Patrick Diederich ◽  
Katharina Lang ◽  
Anna Osberghaus ◽  
...  
Keyword(s):  
Genetic Algorithm ◽  
High Throughput ◽  
Process Development ◽  
Downstream Process

Analysis of Diarrhetic Shellfish Poisoning Toxins in Shellfish Tissue by Liquid Chromatography with Fluorometric and Mass Spectrometric Detection

1995 ◽  
Vol 78 (2) ◽  
pp. 555-569 ◽  
Author(s):  
Michael A Quilliam
Keyword(s):  
Liquid Chromatography ◽  
Complex Mixture ◽  
Internal Standard ◽  
Fluorometric Detection ◽  
Shellfish Poisoning ◽  
Diarrhetic Shellfish Poisoning ◽  
Mussel Tissue ◽  
Accuracy And Precision ◽  
Volumetric Errors ◽  
Dsp Toxins

Abstract Diarrhetic shellfish poisoning (DSP) is a severe gastrointestinal illness caused by consumption of shellfish contaminated with toxigenic dinoflagellates. The main toxins responsible for DSP are okadaic acid (OA), DTX-1, DTX-2, and DTX-3, the latter being a complex mixture of 7-O-acyl derivatives of the first 3. In this study, existing methods based on liquid chromatography (LC) combined with mass spectrometry (LC–MS) and LC with fluorometric detection (LC–FLD) of anthryldiazomethane (ADAM) derivatives were improved upon to achieve a high degree of accuracy and precision for the determination of DSP toxins in a new mussel tissue reference material (MUS-2). All experimental parameters were examined comprehensively, and a new internal standard and a new solid-phase extraction cleanup method were introduced. Quantitative extraction of DSP toxins from shellfish tissue was achieved by exhaustive extraction with aqueous 80% methanol. Cleanup was accomplished by partitioning the crude aqueous methanol extract with hexane to remove lipids and then with chloroform to isolate the toxins. A further cleanup based on an aminopropylsilica column was useful for LC-MS and looks promising for the ADAM/LC-FLD method. The internal standard, 7-O-acetylokadaic acid, synthesized by partial acetylation of OA, improved accuracy and precision by correcting for incomplete recoveries in extraction, cleanup, and derivatization steps and for volumetric errors and instrumental drift. An improved silica cleanup after ADAM derivatization also was developed by controlling the activities of both sorbent and solvents. The methods were tested with various mussel tissue samples. The resulting improved methods will be useful to analysts involved in routine monitoring of DSP tox ins.

Integrated knowledge-based model of innovative product and process development

2009 ◽  
Vol 15 (1) ◽  
pp. 13 ◽  
Author(s):  
A Bargelis ◽  
R Mankute ◽  
D Cikotiene
Keyword(s):  
Process Development ◽  
Innovative Product ◽  
Knowledge Based ◽  
Product And Process ◽  
Integrated Knowledge
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