Development of a Novel Mass Spectrometric ... - Jacobs University

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Introduction 1 Introduction 1.1 Complex Mixtures Every human being is a complex mixture of around 100 000 different chemicals and as humans we are surrounded by vast complex mixtures of additional millions of chemical compounds affecting our daily lives. We define a complex mixture as a mixture that contains too many individual compounds as to allow separation by chromatographic methods (more than 1000 in gas chromatography (GC) and more than 300 in liquid chromatography (LC)). Analysing such complex mixtures forms the ultimate challenge of analytical chemistry and life sciences but the rewards will be tremendous. Chemists have by tradition detested such mixture analysis and reduced the world to the analysis of single purified and well defined compounds. Many materials such as household and industrial wastes, plant and microbial extracts and dietary materials can be considered as complex mixtures. These mixtures may consist of tens, hundreds or thousands of organic compounds, which exist in inexact proportions. 1 Moreover the composition of the aforementioned complex mixtures is not fully known, either qualitatively or quantitatively and may vary considerably. Many analytical approaches have targeted complex mixtures in order to evaluate similarities and dissimilarities between different mixtures, source identification, changes in mixture composition and assessment of toxicity. 2-9 Similarly environmental samples are extremely complex. They include oil spills, atmospheric deposition, urban runoff and waste treatment plants. Many analytical procedures introduced by legislative bodies tend to ignore this fact. Legal concentration threshholds are only defined for well characterized single compounds or groups of compounds. In many of these samples various types of hydrocarbons are present such as in oil spills, industrial discharges and biofuels. 10- 12 The talk about complex mixture can’t be complete without mentioning petroleum. The latter is the most precious mixture since it is the major source of energy known to mankind. 13 1
Introduction Analytical chemistry has been extensively dedicated to the investigation of complex mixtures of petroleum for the last years. Petroleum and biodegraded or hydrothermally altered hydrocarbon extracts are known to exhibit unresolved complex mixtures (UCMs) in gas chromatograms (raised base line termed as hump) where the exploration of the molecular composition of these mixtures becomes limited. 14-17 Among these are the analysis of complex mixtures containing various types of hydrocarbons present in waste or oil mixtures and the analysis of high-boiling point distillates where adequate chromatographic separation is not yet available. 10,18,19 Thus the hydrocarbons elsewhere in different mixtures are known to possess a substantial proportion in which GC is unable to resolve and identify. Therefore it is emphasized that the existing analytical technology can’t explore the chemical composition of the sample in any other way. For example the large magnitude of the unresolved complex oil components, containing an estimated 250,000 compounds, is not identified, 19 thus a great deal of compositional knowledge remains poorly understood. Such a lack of knowledge limits, most importantly, the assessment of effects of unresolved complex residues in the environment. 20 Yet the study of complex mixtures has received recent attention since most of these mixtures undergo compositional evolution due to some factors like temperature, time, source, composition, water, and microbial activity. 10,14 It is well pronounced that a minor change in the composition of a mixture can have a huge effect on its characteristic properties such as flavour, reactivity and toxicity. Such evolution yields derived products that could be sometimes described as unrecognized toxins in, for example, marine environment, 8,21 mussel sediment, 22 and crude oil degradation. 23 As well weathering of oil spills requires full understanding of the effects and fate of spilled products. 24-26 On the other hand, chemical characterisation and identification of heavier components of crude oil can guide refining and production processes necessary in oil industry. Hence the analysis of complex mixture is very important to food chemistry, oil processing as 2
Page 1 and 2: Development of a Novel Mass Spectro
Page 3 and 4: Declaration of Authorship I ,Nadim
Page 5 and 6: This work has been carried out unde
Page 7 and 8: Contents Contents Declaration of Au
Page 9 and 10: List of Figures List of Figures Fig
Page 11 and 12: List of Figures Figure 3-39 MS 2 fr
Page 13 and 14: List of Tables List of Tables Table
Page 15 and 16: Abbreviations Abbreviations APCI AP
Page 17: Abbreviations UV VGOs VOCs VRs ultr
Page 21 and 22: Introduction 1.2 Presence and Fate
Page 23 and 24: Introduction aliphatic hydrocarbons
Page 25 and 26: Introduction Figure 1-1 Examples of
Page 27 and 28: Introduction Figure 1-2 Range of io
Page 29 and 30: Introduction fractions. 42 Another
Page 31 and 32: Introduction 1.3.5 APLI Other crude
Page 33 and 34: Introduction products). Other molec
Page 35 and 36: Introduction Other studies performe
Page 37 and 38: Introduction APLI-FT ICR-MS Crude o
Page 39 and 40: Introduction spectrometry in as muc
Page 41 and 42: Introduction catalytic processing t
Page 43 and 44: Introduction Figure 1-6 Kendrick ma
Page 45 and 46: Introduction including determinatio
Page 47 and 48: Introduction 1.5 Scope and Signific
Page 49 and 50: Experimental e) Other model mixture
Page 51 and 52: Experimental 2.2.2 Preparation of O
Page 53 and 54: Experimental 2.4 Graphical Presenta
Page 55 and 56: Results and Discussion experiment.
Page 57 and 58: Results and Discussion Intens. [%]
Page 59 and 60: Results and Discussion common featu
Page 61 and 62: Results and Discussion 3.2 APCI-TOF
Page 63 and 64: Results and Discussion These compou
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Page 67 and 68: Results and Discussion Ions were pr
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Results and Discussion Intens. [%]
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Results and Discussion procedure ba
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Results and Discussion to produce m
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Results and Discussion 519.5863 519
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Results and Discussion Higher mass
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Results and Discussion isolated fro
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Results and Discussion 3.4.5 Tandem
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Results and Discussion injected int
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Results and Discussion 3.4.8 Quanti
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Results and Discussion Int. x 10000
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Results and Discussion Table 3.6 Qu
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Results and Discussion assessment o
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Results and Discussion hydrocarbons
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Results and Discussion of n-alkanes
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Results and Discussion flow (in I2)
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Results and Discussion Other intere
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Results and Discussion Figure 3-80
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Results and Discussion KMD 2.4 2.2
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Results and Discussion KMD 1.1 1 Le
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Results and Discussion 3.6.4 Asphal
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Conclusions In conclusion we could
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References References 1. Fay, R. M.
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References 23. Colavecchia, M. V.,
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References 47. Dzidic, I., Petersen
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References Hydroconversion Processe
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References 91. Golovlev, V. V., All
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Appendix Light shredder waste Meas.
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419.4592 C 30 H 59 419.4611 4.6 421
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Liqui Moly car motor oil Meas. m/z
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345.3511 C 25 H 45 345.3516 1.5 349
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