What’s in My Sample? Mass Spectrometry Instruments

Mass spectrometry is an analytical technique used to determine the mass-to-charge ratio of ions in a sample and therefore the sample composition. This method is used across many industries including food and beverage, environmental monitoring, and clinical. There are many features of mass spectrometers that must be considered before purchasing such as the required mass analyzer technology, ionization source, and dissociation technique. Join Lab Manager and our panel of experts as we discuss how to decipher mass spectrometry technology offerings and find the right solution for your lab.

As an attendee, you will learn more about:

  • Available technology for performing mass spectrometry
  • Features to consider when purchasing mass spectrometry instruments
  • How to find the right mass spectrometer for your application

Food Science and Quality Control: Tools for Food & Beverage Testing

Lab Manager Tech Trends Webinar. Recorded June 25, 2020.

Food and beverage labs use techniques from other disciplines such as microbiology, environmental monitoring, and analytical chemistry to test for food and beverage contaminants. Unlike these disciplines, the food and beverage industry is highly regulated and therefore food and beverage labs have very specific needs. Join Lab Manager and our panel of experts as we discuss tools for food and beverage testing.

In this webinar, you will learn more about:

  • The latest technology for testing in the food and beverage lab
  • Applications for tools and technologies in the food and beverage lab
  • Considerations when purchasing instruments for food and beverage testing

Measurement of THC in Exhaled Breath after Marijuana Smoking: Exploring the Potential of a Transportable LC/CMS System

Dr. Jack Henion presents the possibility of using the Advion Interchim Scientific expression® Compact Mass Spectrometer (CMS) for ‘roadside breath testing’ of THC DRUID (driving under the influence of drugs) with the use of a small plastic breath collection device from Breath Explor of Uppsala, Sweden. This device serves as a simple, acceptable collection device for individuals in contrast to venous puncture with a needle or other means of collecting a biological sample.

In this ASMS 2020 Reboot presentation, you will learn:

  • Breath sample collection with the Breath Explor device
  • The potential benefits and challenges of a roadside LC/CMS testing system including an automated robot for sample preparation with the Advion Interchim Scientific expression® CMS and Advion Interchim Scientific AVANT UHPLC
  • The Advion LC/CMS system provides accurate and sensitive results when used to analyze breath samples for THC

Authors: Olof Beck2, Jack Henion1, Sabina Seferaj2, Peter Stamback3
1Advion, Inc., Ithaca, NY
2Karolinska Institute, Stockholm, Sweden
3Breath Explore, Munkplast AB, Uppsala, Sweden

Analysis of Patulin in Apple Related Products by UHPLC/CMS

Patulin is a mycotoxin that is a common contaminant in food and animal feed, especially in apple products. The potential health risk of patulin to humans led to the establishment of action levels in foodstuffs.

The EU, WHO and US FDA defined maximum levels of patulin in fruit juices. The EU also has specific regulations for solid apple products and foods intended for infants and young children such as apple compote.

In this application note, a simple UHPLC/CMS method using the Advion Interchim Scientific AVANT® UHPLC and expression® Compact Mass Spectrometer (CMS) system is introduced for the analysis of patulin in apple juice and apple compotes.

The research presented in this application note was a poster presentation for ASMS 2020 Reboot.

Quantitation of Patulin in Apple Juice and Apple Products using a Compact Mass Spectrometer

Patulin is a mycotoxin that is a common contaminant in food and animal feed, especially in apple products. The potential health risk of patulin to humans led to the establishment of action levels in foodstuffs.

The EU, WHO and US FDA defined maximum levels of patulin in fruit juices. The EU also has specific regulations for solid apple products and foods intended for infants and young children such as apple compote.

In this poster, a simple UHPLC/CMS method using the Advion AVANT UHPLC and expression Compact Mass Spectrometer (CMS) system is introduced for the analysis of patulin in apple juice and apple compotes.

This poster was presented at the ASMS 2020 Reboot.

Processing White or Yellow Dry Beans (Phaseolus vulgaris L.) into a Heat Treated Flour Enhances the Iron Bioavailability of Bean-Based Pastas

USDA-ARS, Cornell University, Michigan State University

Abstract

Processing techniques can disrupt the cotyledon cell walls of raw beans, allowing digestive enzymes greater access to intercellular stores of micronutrients such as iron during digestion. This study evaluated the iron bioavailability of seven bean varieties with different seed coat colors (white, yellow, cranberry, red, black) either boiled or processed into spaghetti pastas formulated from heat treated bean flour as the major ingredient (90% bean flour). Iron bioavailability was significantly (p ≤ 0.05) higher in spaghetti made from white or yellow bean varieties Snowdon, Alpena, Samurai and Canario when compared to boiled beans. Although cotyledon cells were broken and the phytate to iron molar ratios were significantly lower, the iron bioavailability of the cranberry (Etna), red kidney (Red Hawk) and black (Zenith) bean varieties did not improve after processing into spaghetti. Iron bioavailability of bean-based pastas was associated with procyanidin and cinnamtannin compounds that have a negative impact on the absorption of iron.

Analysis was performed by LC/MS using the Advion Interchim Scientific expression® Compact Mass Spectrometer (CMS).

Butyl-Based Reversed-Phase High-Performance Liquid Chromatography and Silica Normal-Phase High-Performance Thin-Layer Chromatography Methods for the Determination of Palonosetron in the Presence of Degradation Products and Dosage Form Additives

National Organization for Drug Control and Research, Cairo University

Abstract

Stability-indicating reversed-phase high-performance liquid chromatography (RP-HPLC) and normal-phase high-performance thin-layer chromatography (NP-HPTLC) methods have been developed for the determination of palonosetron which is a potent antiemetic drug used with chemotherapy. Forced degradation studies were performed on palonosetron to study its stability behavior. The drug was subjected to acid, base, neutral hydrolysis, oxidation, thermal and photolytic conditions. Mass analysis has been performed to elucidate the oxidative degradants by Advion compact mass spectrometer. HPLC separation was achieved on PerfectChrom 100 C4 (250 × 4.6 mm, 5 μm particle size) column using buffer (20 mM dipotassium hydrogen orthophosphate, adjusted with phosphoric acid to pH 2.5):acetonitrile:methanol (60:30:10, v/v) as the mobile phase with isocratic mode at a flow rate of 1 mL/min using photodiode array detector (PAD) at 210 nm. The method showed adequate sensitivity concerning linearity, accuracy and precision over the range of 0.1–10 μg/mL. Limit of detection (LOD) and limit of quantification (LOQ) were determined to be 0.03 μg/mL and 0.09 μg/mL, respectively. HPTLC separation was carried out on aluminum plates pre-coated with silica gel 60 F254 using methanol:ammonia (10:0.5, v/v) as the mobile phase. CAMAG scanner was operated at 254 nm for the densitometric measurement in the absorbance mode. A polynomial relationship was constructed in concentration range of 0.1–2 μg/band, with LOD and LOQ 0.02 μg/band and 0.06 μg/band, respectively. The cited chromatographic methods were successfully applied to the determination of palonosetron in the presence of its degradation products and additives in the commercially available vials. Method validation was performed as per the ICH guidelines confirming methods robustness to be used in quality control laboratories. Statistical comparisons have been performed between the results of the cited chromatographic methods and those of the official one using Student’s ttest and F test values at 95% confidence interval level, revealing good accuracy and precision.

Efficient Synthesis of Hydroxy-Substituted 2-Aminobenzo[d]thiazole-6-carboxylic Acid Derivatives as New Building Blocks in Drug Discovery

University of Ljubljana

Abstract

Benzo[d]thiazole is widely used in synthetic and medicinal chemistry, and it is a component of many compounds and drugs that have several different bioactivities. Herein, we describe an elegant pathway for synthesis of methyl 4- and 5-hydroxy-2-amino-benzo[d]thiazole-6-carboxylates as building blocks that can be substituted at four different positions on the bicycle and thus offer the possibility to thoroughly explore the chemical space around the molecule studied as a ligand for the chosen target. A series of 12 new compounds was prepared using the described methods and Williamson ether synthesis.

Controlling an organic synthesis robot with machine learning to search for new reactivity

The discovery of chemical reactions is an inherently unpredictable and time-consuming process. An attractive alternative is to predict reactivity, although relevant approaches, such as computer-aided reaction design, are still in their infancy. Reaction prediction based on high-level quantum chemical methods is complex, even for simple molecules. Although machine learning is powerful for data analysis, its applications in chemistry are still being developed. Inspired by strategies based on chemists’ intuition, we propose that a reaction system controlled by a machine learning algorithm may be able to explore the space of chemical reactions quickly, especially if trained by an expert. Here we present an organic synthesis robot that can perform chemical reactions and analysis faster than they can be performed manually, as well as predict the reactivity of possible reagent combinations after conducting a small number of experiments, thus effectively navigating chemical reaction space. By using machine learning for decision making, enabled by binary encoding of the chemical inputs, the reactions can be assessed in real time using nuclear magnetic resonance and infrared spectroscopy.

Soluble Extracts from Chia Seed (Salvia hispanica L.) Affect Brush Border Membrane Functionality, Morphology and Intestinal Bacterial Populations In Vivo (Gallus gallus)

USDA Cornell University, Federal University of Viçosa

Abstract

This study assessed and compared the effects of the intra-amniotic administration of various concentrations of soluble extracts from chia seed (Salvia hispanica L.) on the Fe and Zn status, brush border membrane functionality, intestinal morphology, and intestinal bacterial populations, in vivo. The hypothesis was that chia seed soluble extracts will affect the intestinal morphology, functionality and intestinal bacterial populations…This study demonstrated that the intra-amniotic administration of chia seed soluble extracts increased (p < 0.05) the villus surface area, villus length, villus width and the number of goblet cells. Further, we observed an increase (p < 0.05) in zinc transporter 1 (ZnT1) and duodenal cytochrome b (Dcytb) proteins gene expression. Our results suggest that the dietary consumption of chia seeds may improve intestinal health and functionality and may indirectly improve iron and zinc intestinal absorption.

Analysis was performed by LC/MS using the Advion expression Compact Mass Spectrometer (CMS).