Programmed-temperature gas chromatographic retention index

Sun, Yongqi; Zhang, Ruiyan; Wang, Qingqing; Xu, Bei

doi:10.1016/0021-9673(93)83029-r

Cited by 41 publications

(7 citation statements)

References 61 publications

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“…Qualitative identification using Carburane software is based on the recognition of linear temperature-programmed retention indexes (ITP) 20,21 , adapted from the initial concept introduced by Van den Dool and Kratz 22 . The modified expression (equation (1)) Figure 1.…”

Section: Premium Gasoline Samplesmentioning

confidence: 99%

Forensic application of Carburane – a quality control software for the characterisation and differentiation of gasoline petroleum fractions used as fire accelerants. An intelligence approach

Haraczaj¹,

Remillon²,

Ducrozet³

et al. 2014

Australian Journal of Forensic Sciences

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International audienceCommercial software Carburane, developed at the IFP Energies Nouvelles, was originally designed to accurately evaluate petroleum fraction quality. It can also be applied to forensic problems, and in particular to arson investigation. During a 15-month period, about 350 premium gasoline samples, representative of the three types available on the French territory (SP95, SP95-E10, SP98), were obtained from different oil companies and their associated distribution networks. Samples were collected in gas stations, placed in sealed containers, securely packaged, and were next analysed in the IRCGN laboratory by high resolution capillary column GC (gas chromatography) with flame ionisation detection for the separation and characterisation of different hydrocarbon families. Data processing using Carburane software provided accurate characterisation and comparison of premium gasoline samples that could have been used as fire accelerants. It could assess the closeness of unburned premium gasoline samples found at a crime scene, with similar samples from gas stations or from searched suspect premises. Application to the real case study of a burned residential house provided useful information to the investigators

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Section: Premium Gasoline Samplesmentioning

confidence: 99%

Forensic application of Carburane – a quality control software for the characterisation and differentiation of gasoline petroleum fractions used as fire accelerants. An intelligence approach

Haraczaj¹,

Remillon²,

Ducrozet³

et al. 2014

Australian Journal of Forensic Sciences

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“…While linear retention indices are certainly less sensitive to changes in experimental conditions than retention times, they are still strongly affected by them [4–6]. Thus, in order for retention indices to be at all reliable, they must be used under precisely the same experimental conditions as they were originally collected (or used under a narrow range of translated methods [7–9]).…”

Section: Introductionmentioning

confidence: 99%

What experimental factors influence the accuracy of retention projections in gas chromatography–mass spectrometry?

Wilson

Barnes

Boswell

2014

Journal of Chromatography A

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Programmed-temperature gas chromatographic (GC) retention information is difficult to share because it depends on so many experimental factors that vary among laboratories. Though linear retention indexing cannot properly account for experimental differences, retention times can be accurately calculated, or “projected”, from shared isothermal retention vs. temperature (T) relationships, but only if the temperature program and hold-up time vs. T profile produced by a GC is known with great precision. The effort required to measure these profiles were previously impractical, but we recently showed that they can be easily back-calculated from the programmed-temperature retention times of a set of 25 n-alkanes using open-source software at www.retentionprediction.org/gc. In a multi-lab study, the approach was shown to account for both intentional and unintentional differences in the temperature programs, flow rates, and inlet pressures produced by the GCs. Here, we tested 16 other experimental factors and found that only 5 could reduce accuracy in retention projections: injection history, exposure to very high levels of oxygen at high temperature, a very low transfer line temperature, an overloaded column, and a very short column (≤ 15 m). We find that the retention projection methodology acts as a hybrid of conventional retention projection and retention indexing, drawing on the advantages of both; it properly accounts for a wide range of experimental conditions while accommodating the effects of experimental factors not properly taken into account in the calculations. Finally, we developed a four-step protocol to efficiently troubleshoot a GC system after it is found to be yielding inaccurate retention projections.

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“…There are a number of reasons for this. First, in order to reproduce the retention data, one is limited to using precisely the same experimental conditions that were used to build the database [1–3] (or to one of a narrow range of translated methods [4–6]). But even then, it is almost impossible to strictly reproduce the experimental conditions used to develop the database because the retention data is biased by non-ideal behavior of the GC system used to measure them (by “non-ideal” GC system behavior, we mean behavior that deviates from that of an ideal GC system: temperature calibration error, flow rate error, imprecise column dimensions, etc.)…”

Section: Introductionmentioning

confidence: 99%

A practical methodology to measure unbiased gas chromatographic retention factor vs. temperature relationships

Peng

Kuo

Yang

et al. 2014

Journal of Chromatography A

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Compound identification continues to be a major challenge. Gas chromatography-mass spectrometry (GC-MS) is a primary tool used for this purpose, but the GC retention information it provides is underutilized because existing retention databases are experimentally restrictive and unreliable. A methodology called “retention projection” has the potential to overcome these limitations, but it requires the retention factor (k) vs. T relationship of a compound to calculate its retention time. Direct methods of measuring k vs. T relationships from a series of isothermal runs are tedious and time-consuming. Instead, a series of temperature programs can be used to quickly measure the k vs. T relationships, but they are generally not as accurate when measured this way because they are strongly biased by non-ideal behavior of the GC system in each of the runs. In this work, we overcome that problem by using the retention times of 25 n-alkanes to back-calculate the effective temperature profile and hold-up time vs. T profiles produced in each of six temperature programs. When the profiles were measured this way and taken into account, the k vs. T relationships measured from each of two different GC-MS instruments were nearly as accurate as the ones measured isothermally, showing less than 2-fold more error. Furthermore, temperature-programmed retention times calculated in five other labs from the new k vs. T relationships had the same distribution of error as when they were calculated from k vs. T relationships measured isothermally. Free software was developed to make the methodology easy to use. The new methodology potentially provides a relatively fast and easy way to measure unbiased k vs. T relationships.

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Programmed-temperature gas chromatographic retention index

Cited by 41 publications

References 61 publications

Forensic application of Carburane – a quality control software for the characterisation and differentiation of gasoline petroleum fractions used as fire accelerants. An intelligence approach

Forensic application of Carburane – a quality control software for the characterisation and differentiation of gasoline petroleum fractions used as fire accelerants. An intelligence approach

What experimental factors influence the accuracy of retention projections in gas chromatography–mass spectrometry?

A practical methodology to measure unbiased gas chromatographic retention factor vs. temperature relationships

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