Day 1 :
Keynote Forum
R V Krishnamurthy
Western Michigan University, USA
Keynote: Application of stable nitrogen isotopes in human colorectal cancer research
Time : 10:05-10:35
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Keynote Forum
Purushottam Chakraborty
Saha Institute of Nuclear Physics, India
Keynote: Alkali containing molecular-ion based SIMS: Fundamentals and potential applications in the chemical analysis of low-dimensional materials
Time : 10:05-10:35
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Keynote Forum
Steven J Soldin
National Institutes of Health, USA
Keynote: The role of mass spectrometry in improving the diagnosis and management of thyroid disease
Time : 11:20-11:50
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- Ionization Techniques| Applications of Mass Spectrometry | Analytical Science and Separation Techniques | New Approaches in Mass Spectrometry | Recent Advances and Development in Mass Spectrometry | Mass Spectrometry in Proteome Research | Proteomics and its Applications | Fundamentals of Mass Spectrometry
Location: Olimpica 1
Session Introduction
Eduard Rogatsky
Albert Einstein College of Medicine, USA
Title: 2-dimensional chromatography – mass spectrometry applications in clinical research
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Giovanni Meloni
University of San Francisco, USA
Title: Multiplexed synchrotron photoionization mass spectrometry: Characterization of combustion and atmospheric reactions
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Synchrotron multiplexed photoionization mass spectrometry has proven to be a powerful and reliable experimentaltechnique to probe precise reactions relevant to both combustion and atmospheric chemistry by characterizing productsand intermediates, energetically via photoionization spectra and kinetically via time traces. The versatility of a side-sample flowtube reactor employing flash photolysis initiation of the reactions has been satisfactorily proven in recent years. The continuouslytunable synchrotron radiation is employed as the photoionization source. The synchrotron multiplexed photoionization massspectrometer at the advanced light source (ALS) of Lawrence Berkeley National Laboratory will be described and specificexamples will be presented. As a result of the multiplexing capabilities of this apparatus, each set of data comprises a threedimensionaldata block of time, mass-to-charge ratio, and photon energy as function of ion intensity. The reaction is initiatedwhen the photolysis laser is fired, i.e., this corresponds to the reaction starting time t0. The species generated in the reactionscan be followed in time and energy to provide kinetic traces and photoionization (PI) spectra, which is a plot of the ion signalof a chosen mass-to-charge ratio versus the photon energy. The PI plots are of great importance in product identificationbecause each species has specific Franck-Condon factors that translate into different shapes of the photoionization spectra. Inaddition, photoionization spectra not only assist in product identification, but also provide information relating to the relative concentrations of products of interest through the measurement of their photoionization cross-sections.
Yuliya E Silina
INM-Leibniz Institute for New Materials, German
Title: Organic and inorganic mass spectrometry as a helpful tool for bio-andenvironmental sensors design optimization
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Time-of-flight secondary ion mass spectrometry (TOF-SIMS) has been proven as a powerful tool for detailed informationon polymer composition due to its high sensitivity, high dynamic range, specificity and selectivity. TOF-SIMS can provide information about oligomer distributions, average molecular weights, fingerprint patterns for polymer identification,monomeric unit sequences, branching, cross-linking substitution, copolymer structures and additives or impurities. However,major challenges, viz. distinguish the surface from the rest of thematerial,unresolvable isobaric interferences regardless ofthe geometry of high-resolution instruments still remain unsolved. Herein, we will introduce an alternativestrategy utilizingliquid chromatography-electrospray ionization-tandem mass spectrometry (Q-TOF LC-MS), head space gas chromatography(HS-GC-MS) and high resolution inductively coupled plasma mass spectrometry (HR-ICP-MS) to study the polymer stability and degradation mechanisms. The examples discussed will provide an overview of using HR-ICP-MS and Q-TOF LC-MS to glucose biosensor design optimization, viz. multi-layer biosensor stability and to identify critical system parameters that affect the biosensor response. In addition, we will demonstrate how HS-GC-MS technique might be used to set an optimal bulk poly(dimethylsiloxane) (PDMS) sensor inluding thickness and cross-linking ratio as well as sampling/loading approaches aiming an application to fragrance controlled release maintained the constant ratio of volatile compounds. We believe, thereported strategy, will allow mapping the influence of the complete set of system input parameters on the sensor response, which subsequently opens up the possibilities for optimization of the design of sensors and their performance.
Nives Galić
University of Zagreb, Croatia
Title: Structural investigation of aromatic hydrazones and their complexes by ESI MS/MS
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Cilong Yu
Shenzhen Univeristy, China
Title: Microfluidic chip-based ionization coupling with mass spectrometry
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The coupling of microfluidic chip-based ionization to mass spectrometer (MS) has recently gained considerable attentionin the mass spectrometry community. In consideration of the miniaturization, integration, and universal disadvantages of microfluidic chip-based ionization coupled with MS, this study proposed three novel microfluidic ionization chips. All sources were fabricated by using the multi-layer soft lithography method. Three-dimensional (3D) flow focusing (FF)-based microfluidic ionizing source can realize two-phase FF with liquid in air regardless of the viscosity ratio of the continuous and dispersed phases. MS results indicated that the proposed FF microfluidic chip can work as a typical electrical ionizationsource when supplied with high voltage and can serve as a sonic ionization source without high voltage. To further improve the integration of ionization and simplified the operation of such device, the microfluidic self-aspiration sonic-spray ionization chip was fabricated. The experimental results demonstrated that the proposed microfluidic chip can implement the ionization of liquid samples depending simply on the gas applied on the sheath flow channel with much lower gas pressure. In addition, a microfluidic chip-based multi-channel ionization (MCMCI) was also developed to extend the application of microfluidic chip ionization to MS. This MCMCI implemented extraction of untreated compounds in complex matrices without sample pretreatments and dual sprays with high DC voltages simultaneously. All these microfluidic chip ionizations are expected to have various applications, particularly in the integrated and portable applications of ionization source coupling with portable MS in the future.
Xiao-qin Wei
Southwest Technology and Engineering Research Institute, China
Title: Failure analysis of nitrile rubber O-rings static sealing for packaging barrel
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Nitrile rubber O-rings seals for packaging barrel was stored in China tropical marine atmosphere environments for 10years, and then the sealing function of nitrile rubber O-ring was failed. By comparing the molecular structure, cross-link density, thermal decomposition, content of elements and chemical functional groups of the original nitrile rubber seals, the surface and interior of nitrile rubber seals storage for 10 years, a long-term natural failure mechanism was studied. The results showed that the surface content of dibutyl phthalate and dibutyl sebacate, the surface carbonyl peak height and the surface content of oxygen element were higher than that in internal; the surface cross-link density was lower than that in internal but still higher than in original sample; and surface carbon-to-oxygen ratio were lower than that in internal and original sample. After aging for 10 years, the weight loss of plasticizer decreased, and the main chain content increased. It can be inferred that nitrile rubber mainly undergoes oxygen-absorbing cross-linking reaction to form carboxylic acids and esters, which is accompanied by the migration and enrichment of two plasticizers to the surface, causing reductions in elasticity. The residual permanent compression set was lower than the design critical value, and the sealing function for the packaging barrel was lost, and a leak occurred.
Alveena Younas
Armed Forces Institute of Pathology (AFIP), Pakistan
Title: Diagnostic accuracy of cannabinoid testing by liquid chromatography-tandem mass spectrometry in human
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Objective: To determine the diagnostic accuracy of cannabinoids testing by liquid chromatography-tandem mass spectrometry (LC-MS) in human hair and to compare it with urine for detection of cannabis use in civil heavy vehicle drivers
Materials and Methods: This diagnostic accuracy(validation) study was carried out at Department of Forensic Medical Sciences Laboratory (FMSL), Forensic Toxicology Section, Armed Forces Institute of Pathology Rawalpindi, Pakistan. Hair and urine samples of about 151 civil heavy vehicle drivers were collected from various urban and rural areas of Punjab. Sampling technique was non-probability convenient. About 10 ml of urine volume was collected and stored at -20°C. Hair strands, about the thickness of a pencil shaft, were collected from the posterior vertex of scalp. It was cut as close to the root as possible, and kept at room temperature till further analysis. Separation of compounds was done on Agilent Poroshell 120 EC-C18 column (2.1 x 7.5 mm.7 micron) and analyzed on a 6460 Triple Quadrapole LC-MS along with MassHunter software.
Results: All the 151-male civil heavy vehicle drivers, who were included in the study, were categorized into three main groups. There were 69(71.5%) truck drivers, 43(28.5 %) were 20-wheeler drivers, whereas bus drivers were 39(25.8%). Mean age was 36±10.82 years. Subjects were stratified according to the age into four main groups: 20-25 years: 28(18.5%); 26-40 years: 73(48.3%), 41-60 years:47(31.1%) and >60 years:3(2%). Paired t test was applied to check significance of study at 95% confidence interval which was significant at p<0.05(p=0.00). Various parameters of diagnostic accuracy in hair and urine samples were: sensitivity (97% and 77%), specificity (92% and 93%), positive likelihood ratio(13% and 12%), negative likelihood ratio(0.04% and 0.24%), positive predictive value(89% and 83%), negative predictive value(98% and 91%) respectively. Overall diagnostic accuracy of cannabinoids in hair was 94.04% while in urine it was 88.67%. Receiving operating characteristics (ROC) curve was plotted which showed area under curve of 0.967 and 0.793 for hair and urine respectively, therefore signifying a better diagnostic accuracy of hair as compared to urine for cannabis detection.
Conclusion: This study highlights the importance of hair as an alternative biological matrix due to its good diagnostic yield, easy non-invasive specimen collection and distinctive potential of analyte stability, as well as wider period of detection as compared to urine.
Saranjam Khan
National Institute for Lasers and Optronics (NILOP), Pakistan
Title: Application and evaluation of Raman spectroscopy for dengue fever analysis and its comparisioin with the routine dengue diagnostic tests
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We are presenting the evaluation of Raman spectroscopy as rapid daignostics test for the detection of disease in thehuman blood serum. Blood samples of 84 clinically dengue suspected patients has been used in this study. Out of these 84 sample (95%) were positive based on nonstructural protein 1 (NS1), whereas(50%) and (52%) were positive based on Immunoglobulin G (IgG) and Immunoglobulin M (IgM) antibodies tests, respectively. Raman spectra from all these samples have been acquired in the spectral range from 600 cm-1 to 1700 cm-1 using 532 nm laser as an excitation source. The Raman spectra from normal healthy blood sera have also been obtained in the same spectral range under the same conditions. In the Raman spectra of normal samples three intense Raman-peaks have been observed at 1006, 1156 and 1516 cm-1. In the Raman spectra of dengue infected blood sera the intensity these three major peaks get suppressed whereas additional peak gets appearat 750, 855, 1032, 1306, 1333, 1355, 1580, 1603 and 1660 cm-1. The spectral differences between normal and abnormal (dengue infected) sera have been evaluated by using support vector machine (SVM) techniques. SVM models has been developed on the basis of three different kernel functions i.e. polynomial, linear, and Gaussian radial basis function (RBF). The model has been tested with the k-fold cross validation method. A diagnostic accuracy of about 85% with the precision of 90%, sensitivity of 73% and specificity of 93% has been achieved under these conditions.
Lingzhi Gong
Queen Mary University of London, UK
Title: Analysis of oligonucleotides by ion-pair hydrophilic interaction liquid chromatography/electrospray ionization mass spectrometry (IP-HILIC/ESIMS
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Synthetic oligonucleotides are widely used in the polymerase chain reaction (PCR) as DNA primers or in molecular biologyas probes to screen for diseases, viral infections, and to identify genes. Sensitive and selective methods have always been demanded for the characterization of oligonucleotides, especially, when the oligonucleotides are applied as therapeutics. Ionpair reversed-phase (IP-RP) liquid chromatography has been commonly used for the analysis of oligonucleotides, but ion suppression is a major problem when coupling with electrospray mass spectrometry (ESI-MS). Although the introduction of hexafluoroisopropanol (HFIP) in the mobile phase has improved MS detection sensitivity of oligonucleotides, this mobile phase system results in a severe problem with adducts formation particularly if large oligonucleotides are analysed. An alternative chromatographic approach, hydrophilic interaction liquid chromatography (HILIC), was recently employed for the analysis
of oligonucleotides. It provided enhanced MS sensitivity with fewer adducts but lacked chromatographic resolution for some oligonucleotides. Here we improve chromatographic resolution whilst maintaining MS sensitivity by adding an ion-pairing reagent, triethylammonium acetate (TEAA), into the HILIC mobile phase. The IP-HILIC approach produces lower retention capacity and has the added benefit of providing simpler MS spectra, with fewer charge states, when comparing with HILIC.
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Ali Mohammad-Djafari received the B.Sc. degree in electrical engineering from Polytechnic of Teheran, in 1975, the diploma degree (M.Sc.) from Ecole Supérieure d'Electricit(SUPELEC), Gif sur Yvette, France, in 1977, the "Docteur-Ingénieur" PhD degree and "Doctorat d'Etat" in Physics, from the University of Paris Sud 11 (UPS), Orsay, France, respectively in 1981 and 1987.He was Assistant Professor at UPS for two years (1981-1983). Since 1984, he has a permanent position at "Centre national de la recherche scientifique (CNRS)" and works at "Laboratoire des signaux et systèmes (L2S)" at Centrale-Supélec. He was a visiting Associate Professor at University of Notre Dame, Indiana, USA during 1997-1998. From 1998 to 2002, he has been at the head of Signal and Image Processing division at this laboratory.