A5080634656- Mass Spectrometry Techniques and Applications
- Analytical Chemistry and Chromatography
- Analytical chemistry methods development
- Ion-surface interactions and analysis
- Advanced Proteomics Techniques and Applications
- Echinoderm biology and ecology
- Metabolomics and Mass Spectrometry Studies
- Glycosylation and Glycoproteins Research
- Neurobiology and Insect Physiology Research
- Crustacean biology and ecology
- Protein Structure and Dynamics
- Marine Sponges and Natural Products
- Advanced Chemical Sensor Technologies
- Cephalopods and Marine Biology
- Pesticide Residue Analysis and Safety
- Enzyme Structure and Function
- Carbohydrate Chemistry and Synthesis
- Spectroscopy and Chemometric Analyses
- Advanced Chemical Physics Studies
- Monoclonal and Polyclonal Antibodies Research
- Chemical Synthesis and Analysis
- Iron Metabolism and Disorders
- Hemoglobin structure and function
- Bioactive Compounds and Antitumor Agents
- Bioinformatics and Genomic Networks
University of Warwick
2011-2024
Teesside University
2021-2022
University of California, Santa Barbara
1999-2010
Waters (United Kingdom)
2009
Waters (United States)
2005-2006
University of Warwick Science Park
2005-2006
Wilton Park
1984-2004
AkzoNobel (Canada)
1985-2002
Lucite International (United Kingdom)
1996
Universities UK
1993
The immediate environment of a molecule can have profound influence on its properties. Benzocaine, the ethyl ester para-aminobenzoic acid that finds an application as local anesthetic, is found to adopt in protonated form at least two populations distinct structures gas phase, and their relative intensities strongly depend properties solvent used electrospray ionization process. Here, we combine IR-vibrational spectroscopy with ion mobility–mass spectrometry yield gas-phase IR spectra...
The proteome of the recently discovered bacterium Methylocella silvestris has been characterized using three profiling and comparative proteomics approaches. organism grown on two different substrates enabling variations in protein expression to be identified. results obtained experimental approaches have compared with respect number proteins identified, confidence identification, sequence coverage agreement regulated proteins. sample preparation, instrumental time loading requirements...
Phosphorylation is one the most studied and important post translational modifications. Nano electrospray mass spectrometry coupled with traveling wave (T-Wave)-based ion mobility has been used to filter for phosphorylated peptides in tryptic protein digests. T-Wave parameters have optimized maximize separation between non-phosphorylated peptides. A method calibrate device, provide estimates of collision cross sections, presented, these are excellent agreement values obtained on drift cell...
Abstract Three ionisation techniques that require no sample preparation or extraction prior to mass analysis have been used for the rapid of pharmaceutical tablets and ointments. These methods were (i) novel direct in real time (DART), (ii) desorption electrospray (DESI), (iii) atmospheric pressure chemical (DAPCI). The performance three was investigated a number common drugs. Significant differences between these approaches observed. For compounds moderate low polarity DAPCI produced more...
Abstract The three‐dimensional conformation of a protein is central to its biological function. characterisation aspects structure by mass spectrometry an area much interest as the gas‐phase conformation, in many instances, can be related that solution phase. Travelling wave ion mobility (TWIMS) was used investigate significance structure. Protein standards were analysed TWIMS under denaturing and near‐physiological solvent conditions cross‐sections estimated for charge states observed....
Flavin-containing monooxygenases (FMOs) are one of the most important monooxygenase systems in Eukaryotes and have many physiological functions. FMOs also been found bacteria; however, their function is not known. Here, we report identification characterization trimethylamine (TMA) monooxygenase, termed Tmm, from Methylocella silvestris , using a combination proteomic, biochemical, genetic approaches. This bacterial FMO contains sequence motif (FXGXXXHXXXF/Y) typical flavin adenine...
Abstract Cancer is a complex disease that deregulates cellular functions at various molecular levels (e.g., DNA, RNA, and proteins). Integrated multi-omics analysis of data from these necessary to understand the aberrant accountable for cancer its development. In recent years, Deep Learning (DL) approaches have become useful tool in integrated data. However, high dimensional are generally imbalanced with too many features relatively few patient samples. This imbalance makes DL based...
Effects of chain flexibility and cationizing agent on the gas-phase conformations a series polyethers were studied. Collision cross-sections poly(propylene glycol) (PPG) poly(tetramethylene (PTMEG) oligomers (from 5-mer to 14-mer) cationized by sodium measured using ion mobility methods compared earlier work sodiated poly(ethylene (PEG). Molecular mechanics/dynamics calculations show that all three form ring oxygen atoms around Na+, coordinating additional oxygens cation from above and/or...
Desorption electrospray ionisation (DESI) has been successfully combined with a hybrid quadrupole time-of-flight mass spectrometer to provide spectra and product ion of active ingredients formulated in pharmaceutical tablets, gels ointments. Accurate data obtained from the DESI fragments selected ions, greatly enhancing selectivity information content experiment. This accurate only takes seconds acquire since technique does not require any sample preparation or extraction prior analysis.
Glycosylation is one of the most common post-translational modifications occurring in proteins. A detailed structural characterization involved carbohydrates, however, still greatest challenges modern glycoproteomics, since multiple regio- and stereoisomers with an identical monosaccharide composition may exist. Recently, ion mobility-mass spectrometry (IM-MS), a technique which ions are separated according to their mass, charge, shape, has evolved as promising for separation analysis...
Gonadotropin-releasing hormone (GnRH) is a key regulator of reproductive maturation in humans and other vertebrates. Homologs GnRH its cognate receptor have been identified invertebrates-for example, the adipokinetic (AKH) corazonin (CRZ) neuropeptide pathways arthropods. However, precise evolutionary relationships origins these signalling systems remain unknown. Here we addressed this issue with first identification both GnRH-type CRZ-type deuterostome-the echinoderm (starfish) Asterias...
A range of metal cations has been shown, by means matrix assisted laser desorption/ionization (MALDI) and electrospray ionization (ESI) mass spectrometry, to form adduct complexes with polystyrene. Both MALDI ESI spectra contain ion peaks corresponding [PS + Cat]+, where PS represents a polystyrene molecule Cat cationic species. In addition, salt cluster assigned as M(MX)n]+, MX the salt, M cation n = 1 or 2, are observed in spectra. The most favourable interaction between polymer, for...
Desorption electrospray ionisation (DESI) and neutral desorption/extractive (EESI) have been coupled to a hybrid quadrupole travelling-wave (T-Wave)-based ion mobility time-of-flight mass spectrometer for the direct accurate analysis of active ingredients formulated into pharmaceutical samples. The collision cross-section measurements polyethylene glycol (PEG) excipients detected in one formulation were estimated compared with published data. These cross-sections PEG species showed good agreement
Ion mobility (IM) combined with tandem mass spectrometry (MS/MS) has been employed to separate and differentiate between polyether oligomers the same nominal molecular weights. Poly(ethylene glycol)s mass-to-charge ratio (m/z), but differing structures, were separated using ion mobility. IM-MS/MS data able aid identification of backbone end groups four individual polyethers in two sets isobaric mixtures. The MS/MS from resolved enabled a detailed structural characterization mixtures be...
The analysis of glycosylation from native biological sources is often frustrated by the low abundances available material. Here, ion mobility combined with electrospray ionization mass spectrometry have been used to extract spectra N-glycans released PNGase F a serial titration recombinantly expressed envelope glycoprotein, gp120, human immunodeficiency virus (HIV). Analysis was also performed on gp120 in α-mannosidase inhibitor, and matched mammalian cell line deficient GlcNAc transferase...
Abstract Background Bacterial exported proteins represent key components of the host-pathogen interplay. Hence, we sought to implement a combined approach for characterizing entire exoproteome pathogenic bacterium Corynebacterium pseudotuberculosis , etiological agent caseous lymphadenitis (CLA) in sheep and goats. Results An optimized protocol three-phase partitioning (TPP) was used obtain C. exoproteins, newly introduced method data-independent MS acquisition (LC-MS E ) employed protein...
Vasopressin/oxytocin (VP/OT)-type neuropeptides are well known for their roles as regulators of diuresis, reproductive physiology and social behaviour. However, our knowledge functions is largely based on findings from studies vertebrates selected protostomian invertebrates. Little about the VP/OT-type in deuterostomian invertebrates, which more closely related to than protostomes.
Ultraviolet matrix-assisted laser desorption/ionization-mass spectrometry has been employed with time-lag focusing to explore its utility for the characterization of synthetic polymers broad distributions. Mixtures five polymer standards narrow molecular weight distributions were analyzed. The spectra found be broadly those expected three different types systems—poly(styrene), poly(methyl methacrylate), and poly(ethylene glycol)—when equimass mixtures used. Large changes in apparent...
Abstract A range of low molecular weight synthetic polymers has been characterised by means desorption electrospray ionisation (DESI) combined with both mass spectrometry (MS) and tandem (MS/MS). Accurate experiments were used to aid the structural determination some oligomeric materials. The analysed poly(ethylene glycol) (PEG), polypropylene glycol (PPG), poly(methyl methacrylate) (PMMA) poly( α ‐methyl styrene). An application technique for characterisation a polymer as part an active...
Hemoglobin (Hb) is a tetrameric noncovalent complex consisting of two alpha- and beta-globin chains each associated with heme group. Its exact assembly pathway matter debate. Disorders hemoglobin are the most common inherited disorders subsequently molecule has been extensively studied. This work attempts to further elucidate structural properties tetramer its components. Gas-phase conformations tetramers their constituents were investigated by means traveling-wave ion mobility mass...