Federico II University Medical School of Naples, University of Naples “Federico II”, Institute for Hospitalization and Healthcare SDN
Abstract
Objective. Sex exerts an important influence on food preferences. The Mediterranean diet (MD) is based on the common dietary characteristics and lifestyle behaviors of the Mediterranean countries. Trimethylamine N-oxide (TMAO), a marker of gut dysbiosis linked to the development of atherosclerosis and cardiovascular risk, is mainly dependent on dietary pattern and gut microbiota metabolism. The aim of this study was to evaluate the association between levels of TMAO and adherence to the MD as a function of sex.
Stephanie Rankin-Turner, Matthew A. Turner, Paul F. Kelly, Roberto S. P. King, James Reynolds
The ability to achieve rapid, in situ identification and age estimation of human bodily fluids can provide valuable information during the investigation of a crime. A novel direct analysis method now permits the rapid in situ identification and age estimation of human bodily fluids for forensic analysis at crime scenes. A thermal desorption surface sampling probe was developed and coupled with a compact mass spectrometer for the direct analysis of volatile organic compound (VOC) profiles of human bodily fluids within two months and in different environmental conditions, without the need for prior sample preparation. The method is not only capable of identifying bodily fluids and discriminating against common interferent species, but also differentiating between bodily fluid stains of different ages over a time period of two months. This demonstrates the potential for rapid in situ identification and age estimation of bodily fluids without the need for contaminative presumptive tests or time-consuming sample preparation.
The MS analysis was carried out using Advion Interchim Scientific Expression® CMS vAPCI.
Integrated Solutions for Food Authenticity, Characterization and Safety with the expression® Compact Mass Spectrometer, AVANT® (U)HPLC and SOLATION® ICP-MS
Your integrated laboratory solution for comprehensive testing of food, ingredients and natural products. Advion offers a full suite of analytical instrumentation for characterization, screening and purity determination, including:
expression® CMS – The expression® Compact Mass Spectrometer (CMS) offers the industry’s widest range of sample introduction systems, providing rapid answers with little or no sample prep in < 30 seconds.
SOLATION® ICP-MS – Provides fast, simple, multi-element analysis of toxic metals, and essential elements and minerals in a wide array of samples, including water, soil, plant material, food and raw ingredients
AVANT® HPLC & UHPLC – Advion’s range of modular high performance, liquid chromatography systems can be used standalone with UV and UV/Vis detector options, or with the expression® CMS to provide seamlessly integrated LC/CMS under the full control of Advion’s simple, intuitive software suite.
PLATE EXPRESS® TLC PLATE READER – Plate Express® provides a simple, automated means of obtaining mass spectra directly from TLC plates, combined with Advion’s expression® CMS creating a technique known as TLC/ CMS. See results in < 30 seconds at the push of a button.
A: My research focuses on developing small molecule modulators to pharmacologically validate potential antibiotic, cancer, and chronic pain therapeutic targets.
Q: WHAT WAS YOUR PREVIOUS WORKFLOW AND SOME OF THE CHALLENGES YOU EXPERIENCED?
A: Purdue’s campus has not had easy access to walk-up mass spec instruments. To get reliable mass spec data for small molecules, one would typically have to submit a request to a central mass spec core. This was not conducive to reaction monitoring or small molecule characterization.
Q: WHY DID YOU INCORPORATE THE EXPRESSION® CMS INTO YOUR LABORATORY?
A: The university research office acknowledged this need and purchased three CMSL instruments with the Plate Express™ and ASAP® capability for walk-up mass spec at three locations on campus. This provided easy access to mass spec data to monitor reactions and characterize molecules. We have even confirmed covalent modification of a protein with a small molecule ligand using this instrument. I was so impressed with the user-friendly interface and instrument set up, that I applied for and received a grant to purchase a 4th instrument to be used in the undergraduate organic teaching lab in the course I teach. We have now incorporated this instrument into the workflow of lab modules for students to collect and analyze their own mass spec data. Something else that stuck out as a positive with Advion is that the data processing software, Data Express™, is free to download for any user. We can have our students analyze data off-site on their own computers. We look forward to incorporating this instrument into more organic lab modules and other courses.
Q: WHO WOULD YOU RECOMMEND TO PURCHASE THE EXPRESSION®CMS?
A: I recommend this instrument for both research labs and teaching labs. The ASAP® probe is especially convenient and easy to use for mass spec data.
Q: DO YOU HAVE ANY PUBLICATIONS OR PRESENTATIONS USING THE EXPRESSION®CMS?
A: Not yet, but we have one in review for my research, and another that will be written to publish the laboratory module in the Journal of Chemical Education.
Electrospray mass spectrometry (ESI-MS) is a versatile analytical tool for biomolecular protein analysis and proteomics. One important area is to study protein structure and composition in which peptides and proteins can be ionized with multiple charges via electrospray ionization. Based on the charge envelope, the molecular weight can be easily determined using manual or automated deconvolution.
Touch Express™ is a new sampling device for mass spectrometry analysis using a technique developed by Gary Van Berkel and Vilmos Kertesz of Oak Ridge National Laboratory1 — the Open Port Sample Interface (OPSI). The OPSI incorporates an open port of continuous, low-volume solvent, flowing directly into the electrospray ion source of the mass spectrometer. Analysis is carried out by simply touching a sample to this port. This fast, versatile sample inlet paired with the expression® Compact Mass Spectrometer (CMS) provides simple molecular weight determination of surfaces, solids and liquids.
Touch Express™ OPSI is a direct analysis method for peptide and protein identification, introduced into the Advion expression® CMS and ionized via the ESI source. The sample can be analyzed < 1 min, and the continuous flow of solvent by OPSI also saves chemists more time for their compound analysis without contamination issues when one system is shared by multiple users or when running back-to-back samples. The deconvolution feature implemented in Advion Data Express software can easily help chemist to predict uncharged mass of their target peptides or proteins based on their charge envelope. Three compounds: BSA, myoglobin (horse) and lysozyme, are used for demonstration.
A simple, sensitive and selective ASAP® sample introduction approach to measuring the presence of two isobaric compounds, CBDA and THCA, contained in a complex sample such as hemp or cannabis plants or their corresponding extraction products. Measurements are made of differences in the relative composition of CBDA and THCA fragment ions originating from the same precursor ion. Applicability to screening plants and plant product materials such as hemp or marijuana to monitor out-of-specification composition is demonstrated.
This poster was presented at the 2018 Cannabis Science Conference in Portland, OR.
University of Oklahoma Health Science Center, Christian Medical College
Abstract
Minimally invasive and low-cost aids for diagnosing neurocysticercosis epilepsy could improve treatment of neurocysticercosis.
The goal of this study was to test the extent to which patients with neurocysticercosis epilepsy, epilepsy of unknown etiology, idiopathic headaches and among different types of neurocysticercosis lesions could be distinguished from each other based on serum mass profiling.
The results from this study suggest neurocysticercosis epilepsy can be distinguished from epilepsy of unknown etiology based on biomolecular differences in sera detected by mass profiling.
Samples were analyzed by ESI source on the Advion expression® Compact Mass Spectrometer (CMS) and the data analyze using the Advion Data Express software.
A: Our laboratory focuses on the development of small molecules with functions that are fulfilled in nature by large macromolecules. We utilize the power of organic synthesis to access functionalities that nature might not have in the repertoire of building blocks. The focus is both on practical applications and an understanding of the properties on the molecular level. This scope includes the development of bioinspired asymmetric catalysts and functionalisable collagen, molecular scaffolds for applications in supramolecular and biological chemistry (e.g., cell-penetrating peptides and tumor targeting) and the controlled formation of metal nanoparticles.
Q: WHAT WAS YOUR PREVIOUS WORKFLOW OR CHALLENGES?
A: For the synthesis of building blocks and target molecules it is important to efficiently analyze and confirm their chemical structures. We routinely do this by, e.g., NMR spectroscopic analysis of the isolated and purified products. This involves the analysis of small molecules in our asymmetric catalysis projects as well as molecules with molecular weights of up to 2000 Da in our chemical biology and materials science projects. In particular for new reactions, fast and straightforward analysis methods for the newly formed compounds are important but challenging at the same time.
Q: WHY DID YOU INCORPORATE THE EXPRESSION® CMS INTO YOUR LABORATORY?
A: The expression® CMS allows us to efficiently analyze the mass of newly formed compounds in (almost) real time. We particularly value that the instrument allows us to monitor the reaction progress of crude mixtures. Separated on a TLC, products and potential side products can be identified, which results in an optimized and faster down-stream-processing, e.g. column chromatography, and only desired products are isolated on a preparative scale. Furthermore, the ASAP mode is very helpful and extremely fast, when looking for expected product masses, e.g. in the fractions of preparative HPLC separations – just dip it in and measure the MS… it takes 30 seconds per fraction. The possibility to easily switch between the ionization modes ESI and APCI as well to measure MS spectra in positive and negative mode in parallel is very helpful for a fast and reliable analysis.
Q: WHO WOULD YOU RECOMMEND TO PURCHASE THE EXPRESSION® CMS?
A: We recommend the expression® CMS in combination with the TLC-Reader Plate Express™ to any group working in the field of synthetic organic chemistry. The reliable and fast identification of molecules is extremely helpful to monitor reactions, to identify the desired products and potential side products, and to simplify downstream processing.
There are many separation and detection methods that are available for the determination of saccharides. These include GC-MS with derivatization, HPLC-UV with derivatization, HPAEC-PAD (High-performance anion-exchange chromatography coupled with pulsed amperometric detection), and LC-MS. The availability of a sensitive and accurate method is still a challenge. For an LC-MS method, given the high polarity, hydrophilicity and low proton affinity of these compounds, it can be difficult to ionize them directly by electrospray by ESI or APCI. The chemical diversity and numerous isomers of carbohydrates further complicates their analysis with LC-MS.
In this Application Note, post-column chloride attachment is used for the analysis of samples containing carbohydrates using the Advion expression® Compact Mass spectrometer (CMS). The 35Cl and 37Cl isotopes also provide confirmation for the formation of the chloride adducts in negative ion APCI mode. Four carbohydrates (Fructose, Glucose, Sucrose and Lactose) are used for method verification.
Cortisol is an important steroid hormone produced from cholesterol in the adrenal cortex. Its secretion is closely regulated by the Adrenocorticotropic hormone (ACTH). Most cortisol is protein-bound and only unbound cortisol is excreted in urine. The measurement of cortisol in urine is typically used to diagnosis of Cushing’s syndrome, a disorder of hypercortisolism.
Although immunoassay methods have extremely high sensitivity, they are subject to variable interferences from other steroids and their conjugates. Liquid chromatography with tandem mass spectrometry is used in clinical analysis because of its higher specificity and selectivity than immunoassay methods.
A simple and robust UHPLC/MS method using the Advion Interchim Scientific expression® Compact Mass Spectrometer (CMS) is introduced for urinary cortisol analysis and the dynamic range and sensitivity (LOD and LLOQ) of the UHPLC/CMS method will be evaluated.
