Diana Catalina Palacio Lozano

The University of Warwick · Department of Chemistry

Bio-oils are a renewable alternative resource for the production of fine chemicals and fuels. Bio-oils are characterised by a high content of oxygenated compounds with a diverse array of different chemical functionalities. Here, we performed a chemical reaction to transform the hydroxyl group of the various components in a bio-oil prior to characte...

Base oil is a main component of engine oil that enables smooth operation of an internal combustion engine. There are two types of base oils, such as mineral oil and synthetic oil. In this study, Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) and gas chromatography-mass spectrometry (GC-MS) were used to characterize the base...

The composition of asphaltenes is of interest due to the challenges they pose for industry and their high complexity, encompassing a range of heteroatom contents, molecular weights, double bond equivalents (DBEs), and structural motifs. They are well-known for aggregating above critical concentrations, hindering the upstream and downstream processe...

Bio-oils are precursors for biofuels but are highly corrosive necessitating further upgrading. Furthermore, bio-oil samples are highly complex and represent a broad range of chemistries. They are complex mixtures not simply because of the large number of poly-oxygenated compounds but because each composition can comprise many isomers with multiple...

Sample preparation and instrument parameters have regularly been demonstrated to impact upon the observed results in atmospheric pressure photoionization, mass spectrometry (MS), and analytical techniques in general but may be overlooked when such methods are applied to the characterization of real-world samples. An initial investigation into diffe...

VKSim is open access, follow this link: https://kairos.warwick.ac.uk/VKSim/ Production of fuels and targeted chemicals from biomass represents a current challenge. Pyrolysis of biomass generates liquid bio-oils but these are highly complex mixtures. In order to obtain the desired...

Internal combustion engine lubricants are subject to thermo-oxidative degradation during use and must be designed to withstand oxidation in order to extend their useful life. Understanding the complex chemical process of thermo-oxidative degradation is essential to designing higher performing engine lubricants. In this study base oil samples compos...

Marine heavy fuel oils (HFOs), derived from and often blended with hydrotreated residual cuts, typically possess high boiling point, viscosity, and molecular complexity, and so are inherently challenging to analyze at the molecular level. Their high asphaltene content is associated with undesirable phenomena including flocculation, deposition, and...

The detailed molecular characterization of petroleum-related samples by mass spectrometry, often referred to as petroleomics, continues to present significant analytical challenges. As a result, petroleomics continues to be a driving force for the development of new ultrahigh resolution instrumentation, experimental methods, and data analysis proce...

High‐resolution mass spectrometry (HRMS) has become a vital tool for dissolved organic matter (DOM) characterization. The upward trend in HRMS analysis of DOM presents challenges in data comparison and interpretation among laboratories operating instruments with differing performance and user operating conditions. It is therefore essential that the...

Six essential oils were analyzed by Fourier transform ion cyclotron resonance mass spectrometry coupled to negative electrospray ionization (ESI(-)/FT-ICR MS). ESI offers selective ionization of compounds polar functional groups containing nitrogen and oxygen heteroatoms. ESI in negative-ion mode allows the identification of the acidic compounds. T...

The use of hyphenated Fourier transform mass spectrometry (FTMS) methods affords additional information about complex chemical mixtures. Co-eluted components can be resolved thanks to the ultra-high resolving power, which also allows extracted ion chromatograms (EICs) to be used for the observation of isomers. As such datasets can be large and data...

In this work, a detailed analysis of a bio-oil obtained by pyrolysis of softwoods and its esterified product is described. Information of the type of chemical function groups were obtained by 13C and 1H nuclear magnetic resonance (NMR) and Fourier transform infrared spectroscopy (FT-IR) and compositional analysis was obtained by Fourier transform i...

In this work, a detailed analysis of a bio-oil obtained by pyrolysis of softwoods and its esterified product is described. Information of the type of chemical function groups were obtained by 13C and 1H nuclear magnetic resonance (NMR) and Fourier transform infrared spectroscopy (FT-IR) and compositional analysis was obtained by Fourier transform i...

Crude oil is among the most complex organic mixtures found in nature. Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) provides the resolution and mass accuracy needed to analyze such complex mixtures. When mixtures contain many different components, a competitive effect within the ICR cell takes place that hampers the detect...

A new strategy has been developed for characterization of the most challenging complex mixtures to date, using a combination of custom-designed experiments and a new data pre-processing algorithm. In contrast to traditional methods, the approach enables operation of Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) with consta...

Considerable effort and progress has been made over the past decade with respect to development of analytical tools for the determination of naphthenic acids and related components in environmental samples. However, experimental variables that influence the analytical results have not been fully explored. The relative contributions of O x classes a...

Staten Island is located in one of the most densely populated regions of the US: the New York/New Jersey Estuary. Marine and industrial oil spills are commonplace in the area, causing the waterways and adjacent marshes to become polluted with a range of petroleum-related contaminants. Using Rock-Eval pyrolysis, the hydrocarbon impact on a salt mars...

A methodology for representing structurally the molecules of three Colombian vacuum residues (538+ °C) and one Mexican atmospheric residue (300+°C) is reported. Information obtained by Fourier Transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) coupled to positive electrospray ionization (ESI(+)), negative electrospray ionization (ESI(−...

Compositional changes of Colombian vacuum residue and its supercritical fluid extraction fractionation (SFEF) subfractions were analysed by positive- and negative mode electrospray (ESI) coupled with Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS). The results showed different distribution of compounds among the SFEF subfrac...

A set of 200 representative molecules for a Vacuum residue (VR) fractionated with molecular distillation (MD) was obtained. A built in-house wiped film molecular distillation unit that operates in continuous mode at pressures below 1E-5 Pa was used to fractionate a Colombian heavy VR, four cuts were obtained changing the temperature of the system....