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Andrew F. Worrall, Craig D. Campbell, Megan O. Midson, Malcolm I. Stewart Abstract Mass spectrometry (MS) is introduced to high school students in the UK in many pre-university course syllabi. As such, we have identified the use of MS as a key technique that should be taught practically to undergraduates from the outset of their …

Jack Henion, Changtong Hao, Daniel Eikel, Olof Beck, and Peter Stambeck* Abstract Increased acceptance of cannabis containing the psychoactive component, Δ9-tetrahydrocannabinol (THC), raises concerns about the potential for impaired drivers and increased highway accidents. In contrast to the “breathalyzer” test, which is generally accepted for determining the alcohol level in a driver, there is no …

Cameron J. Stouffer and R. Kenneth Marcus * Abstract Cloth swipes are a fairly common sampling modality, having relevance across a wide variety of applications including environmental analysis, forensics, and bioassays. One of the biggest attractions of swipes (and related paper substrates) is the ease of sample collection and transportation, where just the swipe of …

Shaun N. Robertson, Fadi Soukarieh, Thomas M. White, Miguel Camara, Manuel Romero*, and Rian L. Griffiths* Abstract Previously, metabolites diffused or secreted from microbial samples have been analyzed via liquid chromatography–mass spectrometry (LC–MS) approaches following lengthy extraction protocols. Here, we present a model system for growing biofilms on discs before utilizing rapid and direct surface …

Xianlin Han, Kui Yang and Richard W. Gross Abstract Lipidomics, defined as the large-scale study of the pathways and networks of cellular lipids in biological systems, is an emerging and rapidly expanding research field. Although lipidomics has only emerged as a distinct field within the past few years, numerous new discoveries and advances have already …

Cocaine is a globally used illicit drug and its widespread use remains a significant public health concern. It is known that US paper currency in general circulation is contaminated with cocaine. There are several possible explanations for this: contamination due to handling during drug deals, the use of rolled up bills for snorting or inhalation, …

Cannabis and hemp products are becoming much more available for medicinal and recreational use making routine testing for toxic heavy metals much more important. Advion Interchim Scientific® introduces the SOLATION® ICP-MS for the analysis of heavy metals in cannabis plant and cannabis product samples. While there are no federal guidelines for heavy metals in cannabis, …

Flash chromatography has traditionally used UV absorption as the main method of detection for compounds during a purification process. While UV absorption is broadly applicable to many classes of compounds, it has limited specificity to individual compounds in a mixture and misses classes of compounds that do not carry chromophores. Mass-directed fraction collection gives users the ability to collect …

Benjamin T. Manard*, Kayron T. Rogers, Brian W. Ticknor, Shalina C. Metzger, N. Alex Zirakparvar, Benjamin D. Roach, Debra A. Bostick, and Cole R. Hexel Abstract The ability to directly measure uranium isotope ratios on environmental swipes has been achieved through a solution-based microextraction process and represents a significant advancement toward the development of a …

Authors: Regensburg University Hospital, European Molecular Biology Laboratory, Germany; University of Southern Denmark, Denmark Abstract Lipidomics data require consideration of ions with near-identical masses, which comprises among others the Type-II isotopic overlap. This overlap occurs in series of lipid species differing only by number of double bonds (DBs) mainly because of the natural abundance of …

Authors: University of Graz, BioTechMed-Graz, Austria; Max Planck Institute of Molecular Cell Biology and Genetics, Germany Abstract Triacylglycerol (TG) and steryl ester (SE) lipid storage is a universal strategy to maintain organismal energy and membrane homeostasis. Cycles of building and mobilizing storage fat are fundamental in (re)distributing lipid substrates between tissues or to progress ontogenetic …

Authors: USDA-Agricultural Research Service, Agios Pharmaceuticals, TIC Gums, United States; Universidade Federal de Lavras, Brazil Abstract Ethanol extract of cell mass of Serratia marcescens strain N4-5, when applied as a treatment to cucumber seed, has been shown to provide control of the oomycete soil-borne plant pathogen Pythium ultimum equivalent to that provided by a seed-treatment …

Authors: Max Planck Institute for Polymer Research, Germany; University of Twente, Netherlands Abstract We developed a simple way to create 2D conductive nanostructures with dielectric cores and conductive surfaces based on polyethylene with in-chain thiophene groups. Generally, thiophene-based polymers show great conductive properties, but exhibit a poor processability. Here, we use the crystallization of a …

Authors: University of Birmingham, United Kingdom Abstract The ESKAPE pathogens (Enterococcus faecium, Staphylococcus aureus, Klebsiella pneumoniae, Acinetobacter baumannii, Pseudomonas aeruginosa, and Enterobacter cloacae) represent clinically important bacterial species that are responsible for most hospital-acquired drug-resistant infections; hence, the need for rapid identification is of high importance. Previous work has demonstrated the suitability of liquid extraction …

AstraZeneca, United Kingdom Abstract Deuterium exchange has been demonstrated to provide additional information to accurate mass measurement and collision‐induced dissociation on unknown chemical structures. An enhanced method for rapid deuterium exchange could make this technique more routine for structural elucidation. Open port sampling interface mass spectrometry (OPSI‐MS) with an aprotic solvent offers a rapid method …

Institute of Food Research, Genome Analysis Center, Aix-Marseille University, University of East Anglia Abstract We previously identified and characterized an intramolecular trans-sialidase (IT-sialidase) in the gut symbiont Ruminococcus gnavus ATCC 29149, which is associated to the ability of the strain to grow on mucins. In this work we have obtained and analyzed the draft genome …

USDA, University of Connecticut Abstract Research methods that predict Fe bioavailability for humans can be extremely useful in evaluating food fortification strategies, developing Fe-biofortified enhanced staple food crops and assessing the Fe bioavailability of meal plans that include such crops. In this review, research from four recent poultry (Gallus gallus) feeding trials coupled with in …

University of Florida, USDA, Kansas State University Abstract Currently, the global citrus production is declining due to the spread of Huanglongbing (HLB). HLB, otherwise known as citrus greening, is caused by Candidatus Liberibacter asiaticus (CLas) and is transmitted by the Asian citrus psyllids (ACP), Diaphorina citri Kuwayama. In this study, we investigated the micro- and …

Gujarat University Abstract Synthesis of new and desired compounds has an everlasting demand. The present work emphasizes on the one pot, three component microwave assisted synthesis of novel ethyl 2-methyl-4-(pyridin-2-yl)-4H-benzo[4,5]thiazolo[3,2-a]pyrimidine-3-carboxylate derivatives by the reaction of 2-aminobenzothiazole derivatives with Pyridine 2-aldehyde and Ethyl acetoacetate in the presence of PdCl2 as an expeditious catalyst under solvent-free condition. …

Gujarat University Abstract A concise, facile and straightforward synthetic protocol has been described for the preparation of 6-amino-1,4-dihydropyrano[2,3-c]-pyrazole-5-carbonitrile derivatives by a one-pot, three-component reaction of ethyl acetoacetate, hydrazine hydrate, aryl aldehydes and malononitrile in glycerol as a green and reusable reaction media under catalyst free condition. The corresponding 6-amino-1,4-dihydropyrano[2,3-c]-pyrazole-5-carbonitriles have been obtained with good to …

University of Durham Abstract The synthesis of diazonium salts is historically an important transformation extensively utilized in dye manufacture. However the highly reactive nature of the diazonium functionality has additionally led to the development of many new reactions including several carbon-carbon bond forming processes. It is therefore highly desirable to determine optimum conditions for the …

Western Washington University Abstract Sortase‐catalyzed transacylation reactions are widely used for the construction of non‐natural protein derivatives. However, the most commonly used enzyme for these strategies (sortase A from Staphylococcus aureus) is limited by its narrow substrate scope. To expand the range of substrates compatible with sortase‐mediated reactions, we characterized the in vitro substrate preferences …

Nirma University, India; Rega Institute for Medical Research Abstract In order to design novel anti-HIV agents, pharmacophore modelling, virtual screening, 3D-QSAR and molecular docking studies were performed. 50 quinoxaline derivatives with different substitutions were designed on basis of both ligand based drug design approaches and were mapped on the best pharmacophore model. From this, best …

Lyon College, University of Rhode Island Abstract MOLSTR, Accepted manuscript. doi:10.1016/j.molstruc.2016.05.075   We have synthesized a trio of gallium complexes bearing 9-anthraldehyde thiosemicarbazones. The complexes were assessed for their anticancer activity and their biophysical reactivity was also investigated. The results of docking studies with DNA, ribonucleotide reductase and human serum albumin, however showed that the …

Xention Limited, United Kingdom; University of Ljubljana, Slovenia Abstract The rodent neuroblastoma cell line, ND7-23, is used to express voltage-dependent sodium (Nav) and other neuronal ion channels resistant to heterologous expression in Chinese hamster ovary (CHO) or human embryonic kidney (HEK) cells. Their advantage is that they provide endogenous factors and signaling pathways to promote …

Mokpo National University, Gachon University, Hanyang University, Gachon Medical Research Institute, South Korea; University of Bremen, Germany Abstract G protein-coupled receptor (GPR) 119 is expressed in pancreatic β-cells and intestinal L cells, and is involved in glucose-stimulated insulin secretion and glucagon-like peptide-1 (GLP-1) release, respectively. Therefore, the development of GPR119 agonists is a potential treatment for …

Gujarat University Abstract A library of thiosemicarbazide hybrid 2-(aldo-polyhydroxyalkyl)benzimidazole derivatives have been designed and synthesized with simple and eco-friendly methodologies. The structures of the compounds have been elucidated with the aid of elemental analysis, IR, mass and 1H NMR spectral data. These novel synthesized compounds have been evaluated for their antibacterial activity against two gram-positive …

Karlsruhe Institute of Technology Abstract The preparation of cross-linked nanosheets with 1–2 nm thickness and predefined shape was achieved by lithographic immobilization of trimethacryloyl thioalkanoates onto the surface of Si wafers, which were functionalized with 2-(phenacylthio)acetamido groups via a photoinduced reaction. Subsequent cross-linking via free radical polymerization as well as a phototriggered Diels–Alder reaction under …

Gujarat University Abstract A convenient one-pot, multi-component and solvent free procedure for the preparation of substituted 2-amino-5-aryl-1,3,4-oxadiazoles has been achieved. The method is a significant improvement over previously reported synthesis. Reaction of acid chlorides with hydrazine hydrate and isothiocynates under microwave-irradiation (MWI) afforded the corresponding 1,3,4-oxadiazole derivatives in high yields with high purity. All synthesized …

Guru Ghasidas University, University of South Dakota A one-pot practical, efficient, and environmentally benign multicomponent synthesis of 4H-pyrans and polysubstituted aniline derivatives of biological, pharmacological, and optical applications has been developed using a very mild, neutral, and reusable silica nanoparticles as catalyst. The 4H-pyran derivatives were synthesized by a three component reaction of an aldehyde, …

University of Surrey, Surrey and Borders Partnership NHS Foundation Trust, Advion, Ltd. Abstract Surface mass spectrometry methods can be difficult to use effectively with low cost, portable mass spectrometers. A new analytical method is presented where analytes are extracted from a sample using a solvent flushed across the surface under high pressure, separated using a chromatography …

Authors: Heinrich Pette Institute – Leibniz Institute for Experimental Virology, European XFEL GmbH, Vienna University of Technology (TU Wien), Indiana University, University Medical Center Hamburg-Eppendorf, Bernard Nocht Institute for Tropical Medicine and German Center for Infection Research Abstract Noroviruses cause immense sporadic gastroenteritis outbreaks worldwide. Emerging genotypes, which are divided based on the sequence of …

University of Birmingham Abstract Figure 1. Trauma is one of the leading causes of death in people under the age of 49 and complications due to wound infection are the primary cause of death in the first few days after injury. The ESKAPE pathogens are a group of bacteria that are a leading cause of …

Learn how SpiroChem AG (Switzerland) utilized the Advion expression® Compact Mass Spectrometer (CMS) and Plate Express™ TLC Plate Reader for reaction monitoring and compound identification to aide in accelerating drug discovery. Abstract: In highly competitive research environments, the ability to access more complex structural spaces efficiently is a predictor of a company’s ability to generate novel …

University of Cambridge, Royal Holloway University of London Highlights Combining FACS and LESA-MS to establish high-throughput single cell lipid profiling Lipid differences found within and between populations of human dopamine neurons Inter-cell lipid heterogeneity is increased in SNCA-A53T dopamine neurons Identification and isolation of human iPSC-dopamine neurons with a TH-RFP reporter Summary Advances in single …

Rey Juan Carlos University, Complutense University of Madrid, University Rennes Abstract Lichens produce unique secondary metabolites with a rich potential as bioactive compounds. In many cases, the use of these molecules is limited by the low concentration of these compounds in thalli, low growth rate in culture, and changes in chemical patterns between thalli and …

University of Birmingham Abstract We have previously demonstrated native liquid extraction surface analysis (LESA) mass spectrometry imaging of small intact proteins in thin tissue sections. We also showed calculation of collision cross sections for specific proteins extracted from discrete locations in tissue by LESA traveling wave ion mobility spectrometry (TWIMS). Here, we demonstrate an integrated …

Justus Liebig University Giessen, University of Modena and Reggio Emilia Abstract Effect-directed analysis (EDA) by the combination of high-performance thin-layer chromatography (HPTLC) with biologi- cal and enzymatic assays represents one of the latest tools available for the rapid bioprofiling of complex matrices, such as plant extracts. In this ambit, the aim of this project was the …

Cornell University, Kaiser Permanente Fontana, Bar-Ilan University Abstract The consumption of teff (Eragrostis tef), a gluten-free cereal grain, has increased due to its dense nutrient composition including complex carbohydrates, unsaturated fatty acids, trace minerals (especially Fe), and phytochemicals. This study utilized the clinically-validated Gallus gallus intra amniotic feeding model to assess the effects of intra-amniotic …

Federal University of Viçosa, Cornell University This study evaluates the effects of intra-amniotic administration of yacon (Smallanthus sonchifolius) flour soluble extracts (YFSE) on intestinal bacterial populations, brush border membrane (BBM) functionality and morphology, by using the Gallus gallus model. Highlights: Yacon flour soluble extract (YFSE) increased the relative abundance of bifidobacterial and Lactobacillus. YFSE upregulated …

Selcuk University, University “G. d’Annunzio” of Chieti-Pescara, University of Perugia, University of Urbino   Abstract Coronilla species, belonging to the Coronilla genus (Fabaceae), have long been used in traditional medicine for treating cold, diabetes, pain, and as cardiotonics. The goal of the present study was to explore the phytochemical composition and pharmaco-toxicological properties of C. minima. …

Graz University of Technology Abstract New 1-hydroxy-10-alkylacridin-9(10H)-one BF2-chelates absorb in the blue-green part of the electromagnetic spectrum and emit fluorescence with moderate quantum yields of 8–45% in toluene. The dyes show large Stokes shifts about 4300 cm−1, decay times between 5 ns and 15 ns in toluene and high photostabilities. Introduction of a fluorine atom …

North University of China, Lvliang College Abstract In this study, total saponins were extracted from Pleurotus ostreatus cultivated with Astragalus as one of organic culture substrates. High Performance Thin Layer Chromatography (HPTLC) assay showed total saponins could be separated effectively, and four kinds of spots were identified as AG I, AG II, AG III, and …

University of Oklahoma Health Sciences Center, Christian Medical College, Veterans Administration Medical Center, University of Montreal Abstract A major source of epilepsy is Neurocysticercosis (NCC), caused by Taenia solium infection. Solitary cysticercus granuloma (SCG), a sub-group of NCC induced epilepsy, is the most common form of NCC in India. Current diagnostic criteria for SCG epilepsy require brain …

University of North Texas, Huazhong Agricultural University, Heinrich Heine University, University of Goettingen, Leibniz Institute of Plant Genetics & Crop Plant Research, USDA-ARS Abstract Seeds of the desert shrub, jojoba (Simmondsia chinensis), are an abundant, renewable source of liquid wax esters, which are valued additives in cosmetic products and industrial lubricants. Jojoba is relegated to its …

Pacific Northwest National Laboratory, Clemson University Abstract A new, multi-electrode, liquid sampling glow discharge ionization source for mass spectrometry is described. This ion source consists of multiple (2–4) counter (anode) electrodes in comparison to prior single counter electrode designs of this type. In the experiments presented here these ion sources have been interfaced with ThermoScientific …

Authors:  Cecilie Rosting, Jinglei Yu, and Helen J. Cooper* Abstract Despite the great potential of dried blood spots (DBS) as a source of endogenous proteins for biomarker discovery, the literature relating to nontargeted bottom-up proteomics of DBS is sparse, primarily due to the inherent complexity and very high dynamic range associated with these samples. Here, we present proof-of-concept …

Abstract Liquid extraction surface analysis (LESA) is an ambient surface sampling technique that allows the analysis of intact proteins directly from tissue samples via mass spectrometry. Integration of ion mobility separation to LESA mass spectrometry workflows has shown significant improvements in the signal-to-noise ratios of the resulting protein mass spectra and hence the number of …

Clemson University, Oakridge National Laboratory Abstract The collection of solid particulates and liquids from surfaces by the use of cloth swipes is fairly ubiquitous. In such methods, there is a continuous concern regarding the ability to locate and quantitatively sample the analyte species from the material. In this effort, we demonstrate the initial coupling of …

Mass spectrometric techniques are typically divided into two distinct fields: atomic and molecular. Liquid sampling – atmospheric pressure glow discharge (LS-APGD) has been developed as a versatile ionization source capable of combined atomic and molecular (CAM) analysis. To date, the LS-APGD has demonstrated impressive results in U isotope ratio analysis as well as molecular analysis across …

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 …

Clemson University Abstract The LS-APGD microplasma has shown potential as a combined atomic and molecular (CAM) ionization source, though to this point it has been solely interfaced with large, laboratory-scale instruments. There are many instances wherein reduced-format, lower operating overhead, analyzers are appropriate. To this end, the LS-APGD has been coupled with an Advion expressionL …

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 …

Kyungpook National University, Dankook University, Ulsan National Institute of Science and Technology, South Korea; Icahn School of Medicine at Mount Sinai, United States Abstract Sphingosine kinase1 (SphK1) is an acetyl-CoA dependent acetyltransferase which acts on cyclooxygenase2 (COX2) in neurons in a model of Alzheimer’s disease (AD). However, the mechanism underlying this activity was unexplored. Here …

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 …

Shanghai University of Traditional Chinese Medicine Objective To establish a simple, rapid and non‐destructive technique for identifying the authenticity of agarwood. Methods Liquid extraction surface analysis mass spectrometry (LESA‐MS) was firstly proposed to identify the authenticity of 62 agarwood samples without sample preparation. In addition, multivariate statistical models and thin‐layer chromatography (TLC) method were used …

Authors: Japan Bioindustry Association, Advanced Industrial Science and Technology, Japan Highlights Deacetylation of glycopeptide with an esterase prevents base-induced side reactions, b-elimination, and epimerization An esterase from B. subtilis was utilized for Deacetylation of sugar hydroxyl groups on glycopeptide synthesis Deacetylation with an esterase and glycosylations with glycosyltransferases were accomplished in one-pot Abstract Glycopeptides are fragments …

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 …

The brain is a remarkably complex organ and cholesterol homeostasis underpins brain function. It is known that cholesterol is not evenly distributed across different brain regions; however, the precise map of cholesterol metabolism in the brain remains unclear. If cholesterol metabolism is to be correlated with brain function it is essential to generate such a …

Martin-Luther-University Halle-Wittenberg, Free University of Berlin Abstract Cannabis products have been used in various fields of everyday life for many centuries, and applications in folk medicine and textile production have been well-known for many centuries. For traditional textile production, hemp fibers were extracted from the stems by water retting in stagnant or slow-moving waters. During …

Shanghai University of Traditional Chinese Medicine Abstract The 5α-reductase converts testosterone to dihydrotestosterone (DHT), and excess DHT could cause androgen-related diseases such as androgenetic alopecia and benign prostatic hyperplasia (BPH). To discover new 5α-reductase inhibitors, effective drug screening method with high throughput is thus essential. In this study, fully automated chip-based nanoelectrospray ionization-mass spectrometry (nano-ESI-MS) …

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 …

University Children’s Hospital Zurich, ETH Zurich Abstract Constructive machine learning aims to create examples from its learned domain which are likely to exhibit similar properties. Here, a recurrent neural network was trained with the chemical structures of known cell‐migration modulators. This machine learning model was used to generate new molecules that mimic the training compounds. …

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 …

Loughborough University, Translational Chemical Biology Research Group Abstract Compact mass spectrometry (CMS) is a versatile and transportable analytical instrument that has the potential to be used in clinical settings to quickly and non-invasively detect a wide range of relevant conditions from breath samples. The purpose of this study is to optimise data preprocessing protocols by …

Leiden University, Eindhoven University of Technology Abstract The structure of the copper complex of the 6-((1-butanethiol)oxy)-tris(2-pyridylmethyl)amine ligand (Cu-tmpa-O(CH2)4SH) anchored to a gold surface has been investigated. To enable covalent attachment of the complex to the gold surface, a heteromolecular self-assembled monolayer (SAM) of butanethiol and a thiol-substituted tmpa ligand was used…These results show that upon …

Horbaczewskyj, Christopher Stefan (2019) Monitoring, Modelling and Optimisation of Continuous Flow Reactions Using On-line Mass Spectrometry. PhD thesis, University of Leeds. Abstract An on-line mass spectrometry method has been developed to monitor, model and optimise continuous flow reactions. This method makes use of dual-piston pumps, tubular reactor block, Vici sample actuator, an Advion expression Compact Mass …

USDA-ARS, Cornell University, Michigan State University Abstract The common dry bean (Phaseolus vulgaris L.) is a globally produced pulse crop and an important source of micronutrients for millions of people across Latin America and Africa. Many of the preferred black and red seed types in these regions have seed coat polyphenols that inhibit the absorption …

National Institutes of Health National Heart, Lung, and Blood Institute, National Cancer Institute Abstract To further explore the scope of our recently developed “fluorination on Sep-Pak” method, we prepared two well-known positron emission tomography (PET) tracers 21-[18F]fluoro-16α,17α-[(R)-(1′-α-furylmethylidene)dioxy]-19-norpregn-4-ene-3,20-dione furanyl norprogesterone ([18F]FFNP) and 16β-[18F]fluoro-5α-dihydrotestosterone ([18F]FDHT). Following the “fluorination on Sep-Pak” method, over 70% elution efficiency was observed …

Using separation from the AVANT™ UHPLC system coupled to the expression® Compact Mass Spectrometer (CMS), cannabinoids from commercially available CBD oils are measured for concentration against product label claims for a comparative test. This poster was presented at the 2019 Cannabis Science Conference East in Baltimore, MD.

We demonstrate a cost-effective UHPLC/CMS method for the analysis of chloramphenicol in milk with a detailed discussion of sensitivity, linear response range, carryover and robustness using the Advion expression® Compact Mass Spectrometer (CMS) and Advion AVANT™ UHPLC System. This poster was presented at the 2019 ASMS Conference on Mass Spectrometry and Allied Topics in Atlanta, …

The Advion TriVersa NanoMate nanoelectrospray ionization technology was selected as the ion source for its long, stable spray capabilities ideal for lipid analysis.   Abstract Cold atmospheric plasma (CAP) is an emerging source for the locally defined delivery of reactive species, and its clinical potential has been identified in the control of inflammatory processes, such …

Federico II University Medical School of Naples, University of Naples “Federico II” Abstract Vitamin D deficiency and obesity are two public health problems extensively exacerbated over the last years. Among the several mechanisms proposed to account for the complex interplay between vitamin D and obesity, one that has gained particular attention is related to the …

RCSI, University of Padua, Maynooth University Abstract The Cu(I) alkyne azide click reaction of 17α-ethynylestradiol and di-tert-butyl (2-azidopropane-1,3-diyl)dicarbamate afforded the novel 1,4 disubstituted 1,2,3 triazole and estrogen-based ligand 2-(4-(estradiol)-1H-1,2,3-triazol-1-yl)propane-1,3-diamine, EDiolDap. Reaction of EDiolDap with Pt(II) DMSO precursors, cis-[PtCl2(DMSO)2] and cis-[Pt(CBDCA)(DMSO)2] gave the corresponding Pt(II) estrogen linked complexes [PtCl2(EDiolDap)] and [Pt(CBDCA)(EDiolDap)] respectively in good yield. Both …

Nigerian Institute for Trypanosomiasis, University of Jos, University of Yaoundé Abstract Medicinal plants are the richest bio-resource of drugs for traditional systems of medicine, modern medicines, food supplements, pharmaceutical intermediates and chemical entities for synthetic drugs. Human African Trypanosomiasis (HAT) is a challenging and deadly disease due to its complex epidemiology and clinical presentations.  This …

Merck & Co. Abstract The evolution of supercritical fluid chromatography (SFC) instrumentation, improved detection capability, and expanded modifier range has led to extending the reach of SFC to the analysis of a broader spectrum of analytes beyond enantioselective separations. However, preparative SFC has yet to see the same technological revitalization, especially in regards to the …

University of Naples Federico II, Hospital Cardarelli, Coop. Samnium Medica, UCCP Abstract Atherosclerotic cardiovascular diseases are preferential targets of healthy diet and preventive medicine partially through strategies to improve lipid profile and counteract oxidative metabolites. Ninety individuals with cardiovascular disease (CVD) risk factors were randomized (1:1:1 ratio) to three arms, according to a four-week run-in, …

J. S. Hanas, J. R. Hocker, G. Ramajayam, V. Prabhakaran, V. Rajshekhar, A. Oommen, J. J. Manoj, M. P. Anderson, D. A. Drevets, H. Carabin Neurocysticercosis is associated with epilepsy in pig-raising communities with poor sanitation. Current internationally recognized diagnostic guidelines for neurocysticercosis rely on brain imaging, a technology that is frequently not available or …

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 …

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 …

Introduction 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 …

Overview 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 …

University of Glasgow, University of Edinburgh Authentic historic manuscripts fetch high sums, but establishing their authenticity is challenging, relies on a host of stylistic clues and requires expert knowledge. High resolution mass spectrometry has not, until now, been applied to guide the authentication of historic manuscripts. Robert Burns is a well-known Scottish poet, whose fame, …

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 …

Introduction Cortisol is an important steroid hormone produced from cholesterol in the adrenal cortex. Its secretion is closely regulated by Adrenocorticotropic hormone (ACTH). Most cortisol is protein-bound, and only unbound cortisol is excreted in urine. Measurement of cortisol in urine is typically used in the diagnosis of Cushing’s syndrome, a disorder of hypercortisolism. Although immunoassay …

Introduction Fentanyl, a fast-acting synthetic painkiller about 100 times stronger than morphine, is also the most widely used synthetic opioid medicine in 2017.1 Its abuse is becoming a public health problem. A quick and easy analysis method for this drug is in high demand from health practitioners and law enforcement agencies. The Touch Express™ Open …

Introduction The legalization of marijuana and hemp provides commercial opportunities as well as analytical challenges. Accurate and precise quantitative analysis of plant and medicinal products is needed in this new industry to document composition and assure the safety of cannabis products. LC/MS techniques can provide unparalleled selective and sensitive measurements for these purposes. Here we …

Overview Toluene-assisted APCI (TAPCI) can generate (M)+· and (M+H)+ molecules from analytes not MS accessible by ESI or APCI. Elemental formula prediction at 250 ppm accuracy and isotope distribution matching by TAMI (Tal Aviv Molecule Identifier) supports analyte identification. Combining both TAPCI and TAMI on a compact single quadrupole mass spectrometer (CMS) provides a cost-effective …

Introduction Metal based compounds have found utility in various fields such as clinical, energy, food safety and environmental to name a few. Creating the metal complex is the last step in a synthetic process when ligands are bound to the metal center. Once made, these metal complexes can be used anywhere from stereospecific synthesis to …

Gary Van Berkel, Vilmos Kertesz Rationale An “Open Access”‐like mass spectrometric platform to fully utilize the simplicity of the manual open port sampling interface for rapid characterization of unprocessed samples by liquid introduction atmospheric pressure ionization mass spectrometry has been lacking. The in‐house developed integrated software with a simple, small and relatively low‐cost mass spectrometry …

Lieby Zborovsky, Alisa Smolyakova, Maria Baskin, Galia Maayan Peptoids, N‐substituted glycine oligomers, are an important class of foldamers that can adopt polyproline‐type helices (PP‐I and PP‐II), given that the majority of their sequence consists of chiral, bulky side chains. Herein a new approach for the stabilization of a pure PP‐I‐like peptoid helix through metal coordination …

Maria Baskin, Natalia Fridman, Monica Kosa, Galia Maayan We describe the construction of synthetically challenging heteroleptic complexes by capitalizing on the solubility properties of their corresponding favored homoleptic complexes. We demonstrate that the formation of a heteroleptic Cu2+ complex based on 2,2′:6′,2′′-terpyridine (Terpy) and 8-hydroxyquinoline (HQ) is not possible due to the insolubility of (HQ)2Cu2+. …

Sung Yong Byeon, Ji Han Kim, Jun Yeob Lee CN-modified host materials, 9-(2-(9-phenyl-9H-carbazol-3-yl)phenyl)-9H-carbazole-3-carbonitrile (o-CzCN) and 9-(3-(9-phenyl-9H-carbazol-3-yl)phenyl)-9H-carbazole-3-carbonitrile (m-CzCN), which can improve the external quantum efficiency and lifetime of both blue phosphorescent and thermally activated delayed fluorescent (TADF) emitters were developed. A molecular design approach to stabilize the molecular structure and reduce the energy gap produced two …

Sung Yong Byeon, Si Hyun Han, Jun Yeob Lee Negative polaron stabilizing host materials for blue phosphorescence organic light‐emitting diodes are synthesized by modifying carbazolylcarbazole with dibenzothiophene or 9‐phenylcarbazole. The host materials show high triplet energy above 2.95 eV and work as hole transport type hosts. Operational lifetime analysis of the blue devices with the …

Claudia Schmidt, Bianka Karge, Rainer Misgeld, Aram Prokop, Mark Brönstrup, Ingo Ott A series of gold(I) complexes with two N-heterocyclic carbene ligands (biscarbene gold complexes) were prepared and evaluated for their effects against cancer cells and pathogenic bacteria. Proliferation inhibition was observed in cancer cells and in Gram-positive bacteria, whereas Gram-negative bacteria were less sensitive …

Damien Ertz, Ulrick Søchting, Alice Gadea, Maryvonne Charrier, Roar S. Poulsen The new genus and species Ducatina umbilicata is described from Îles Crozet and Îles Kerguelen. This lichen is characterized by an umbilicate thallus with a black verrucose lower surface and a greyish to dark olivaceous smooth upper surface having large verrucae, large semiimmersed cephalodia, …

Katharina Pahnke, Chris Meier The design of a bioreversibly protected lipophilic sugar nucleotide as a potential membrane‐permeable precursor of adenosine diphosphate ribose (ADPR) is described. ADPR is the most potent activator of the transient receptor potential melastatin 2 (TRPM2) ion channel. Membrane‐permeable, lipophilic derivatives of ADPR are of great interest as tools for study of the …

J. A. H. Inkster, S. Zhang, V. Akurathi, A. Belanger, S. Dubey, S. T. Treves, A. B. Packard New chemical and radiochemical syntheses are described for the preparation of [18F]Rho6G-DEG-F, an 18F-labeled analogue of the fluorescent dye rhodamine 6G, which has shown promise as myocardidal perfusion imaging agent. Tosylated precursors of [18F]Rho6G-DEG-F amenable to 18F-labeling …

Eun Kyeong Lee, Ju Hyun Kim, Kyoung Mi Moon, Sugyeong Ha, Sang-Gyun Noh, Dae Hyun Kim, Bonggi Lee, Do Hyun Kim, Su Jeong Kim, Sultan Ullah, Hyung Ryong Moon, Hae Young Chung The inhibition of tyrosinase, a key enzyme in mammalian melanin synthesis, plays an important role in preventing skin pigmentation and melanoma. Therefore, tyrosinase …

Additi Roy Chowdhury, Pritan Ghosh, Suparna Paul, Samuzal Bhuyan, Jagadeesh C. Bose K, Sudit Mukhopadhyay, Priyabrata Banerjee A urea-based BPC [1,5-bis(perfluorophenyl)carbonohydrazide] molecule with four acidic NH protons has been synthesized by a facile synthetic process. The molecule was found to be a ditopic chemosensor for Cd2+ and F− ions. BPC was synthesized from low-cost starting …

Seojeong Park, Til Bahadur Thapa Magar, Tara Man Kadayat, Hwa Jong Lee, Ganesh Bist, Aarajana Shrestha, Eung-Seok Lee, Youngjoo Kwon Novel series of conformationally constrained 2,4-chloro- and hydroxy-substituted diphenyl benzofuro[3,2-b]pyridines were rationally designed and synthesized. Their biological activities were evaluated for topoisomerase I and II inhibitory activity, and antiproliferative activity against several human cancer cell …

Pierre Le Pogam, Aline Pillot, Françoise Lohezic-le Devehat, Anne-Cécile Le Lamer, Béatrice Legouin, Alice Gadea, Aurélie Sauvager, Damien Ertz, Joël Boustie Thin-layer chromatography (TLC) still enjoys widespread popularity among lichenologists as one of the fastest and simplest analytical strategies, today remaining the primary method of assessing the secondary product content of lichens. The pitfalls associated …

Alba Noël, Solenn Ferron, Isabelle Rouaud, Nicolas Gouault, Jean-Pierre Hurvois, Sophie Tomasi Actinobacteria are well known for their potential in biotechnology and their production of metabolites of interest. Lichens are a promising source of new bacterial strains, especially Actinobacteria, which afford a broad chemical diversity. In this context, the culture medium of the actinobacterium Nocardia …

Suresh Paddle, Xiao Min, Srijan Acharya, Seung Hoon Cheon Monoamine transporters are important targets in the treatment of various central nervous disorders. Several limitations of traditional reuptake inhibitors, like delayed onset of action, insomnia, and sexual dysfunction, have compelled the search for safer, more effective compounds. In this study, we have sought to identify novel …

Do Hyun Kim, Su Jeong Kim, Sultan Ullah, Hwi Young Yun and Pusoon Chun, Hyung Ryong Moon The authors designed and synthesized 17 (2-substituted phenyl-1,3-dithiolan-4-yl) methanol (PDTM) derivatives to find a new chemical scaffold, showing excellent tyrosinase-inhibitory activity. Their tyrosinase-inhibitory activities were evaluated against mushroom tyrosinase at 50 μM, and five of the PDTM derivatives …

Rajesh H. Vekariya, Kinjal D. Patel, Neelam P. Prajapati, Hitesh D. Patel Background: Potassium phthalimide (PPI), a mild, green and commercially available organocatalyst used in the synthesis of a wide range of important bioactive compounds. 6-amino-1,4- dihydropyrano[2,3-c]-pyrazole-5-carbonitrile derivatives were synthesized via a four component reaction of ethyl acetoacetate, hydrazine hydrate, aryl aldehydes and malononitrile by …

Michael Lückmann, Roxana-Maria Amarandi, Natalia Papargyri, Mette H. Jakobsen, Elisabeth Christiansen, Lars J. Jensen, Aurel Pui, Thue W. Schwartz, Mette M. Rosenkilde, Thomas M. Frimurer The human cytomegalovirus-encoded G protein-coupled receptor US28 is a constitutively active receptor, which can recognize various chemokines. Despite the recent determination of its 2.9 Å crystal structure, potent and US28-specific …

Floyd A.Beckford, Kelsey R.Webb A series of four thiosemicarbazones from 6-nitropiperonal along with the corresponding copper complexes were synthesized. The biophysical characteristics of the complexes were investigated by the binding to DNA and human serum albumin. The binding to DNA is moderate; the binding constants run from (0.49–7.50) × 104 M− 1. In relation to …

Aarajana Shrestha, HyeJin Oh, Mi Jin Kim, Nirmala Tilija Pun, Til Bahadur Thapa Magar, Ganesh Bist, Hongseok Choi, Pil-Hoon Park, Eung-Seok Lee As a continuous effort to discover new potential anti-inflammatory agents, we systematically designed and synthesized sixty-one 2-benzylidene-1-indanone derivatives with structural modification of chalcone, and evaluated their inhibitory activity on LPS-stimulated ROS production in …

Christian Hoppmann, Allison Wong, Bing Yang, Shuwei Li, Tony Hunter, Kevan M. Shokat, Lei Wang Access to phosphoproteins with stoichiometric and site-specific phosphorylation status is key to understanding the role of protein phosphorylation. Here we report an efficient method to generate pure, active phosphotyrosine-containing proteins by genetically encoding a stable phosphotyrosine analog that is convertible …

Marie Monestier, Dimitrios Latousakis, Andrew Bell, Sandra Tribal, Louise E. Tailford, Ian J. Colquhoun, Gwenaelle Le Gall, Hai Yu, Xi Chen, Martin Rejzek, Simone Dedola, Robert A. Field, Nathalie Juge Naturally occurring 2,7-anhydro-alpha-N-acetylneuraminic acid (2,7-anhydro-Neu5Ac) is a transglycosylation product of bacterial intramolecular trans-sialidases (IT-sialidases). A facile one-pot two-enzyme approach has been established for the synthesis …

Harrison C. Daly, Gonzalo Sampedro, Corentin Bon, Dan Wu, Ghazi Cahill, Roman A. Cahill, Donal F. O’Shea The use of near-infrared fluorescence for in vivo research and intraoperative clinical imaging is rapidly expanding, with new applications being proposed and developed. While imaging hardware and software have significantly progressed in recent times, the molecular fluorescent agents …

Seung-Suk Baek, Seok-Ha Hwang UV-cured transparent acrylic pressure sensitive adhesives (PSAs) composed of semi-interpenetrating networks were prepared using the menthyl acrylate (MnA) and tetrahydro-geraniol acrylate (TGA) synthesized from menthol and tetrahydro geraniol, respectively. This study investigated the adhesion performance and environmental reliability of the resulting acrylic PSAs by changing the mole ratio for MnA and …

Martin Doert, Stephanie Krüger, Gertrud E. Morlock, Lothar W. Kroh Ternary mixtures of lecithins, vitamin C and vitamin E are powerful antioxidants for the stabilization of polyunsaturated (n-3 fatty acid) oils. In this study, the chemistry of the antioxidant synergistic effect was investigated in ethyl linoleate (EL) containing α-tocopherol (α-Toc) or in linoleate rich vegetable …

Rajesh H. Vekariya, Kinjal D. Patel, Dhanji P. Rajani, Smita D. Rajani, Hitesh D. Patel A convenient, one-pot, multi-component protocol for the preparation of 2-(1-(2-oxo-2H-chromen-3-yl)ethylidene)hydrazinecarbothioamide derivatives has been achieved. Here, firstly we have reported the synthesis of 3-acetyl-2H-chromen-2-one using starch sulfuric acid and cellulose sulfuric acid as biodegradable catalysts. Subsequently, we also carried out the …

Seung-Suk Bae, Su-Hee Jang, Seok-Ho Hawn Using the tetrahydro-geraniol acrylate (TGA) synthesized from biomass tetrahydro-geraniol, UV-cured transparent acrylic pressure sensitive adhesives (PSAs) composed of semi-interpenetrating networks were successfully fabricated. The utility for optically clear adhesive on adhesion performances according to various concentrations of TGA in the acrylic PSAs were investigated. After characterizing the photo-polymerized PSA …

Additi Roy Chowdhury, Biswajit Gopal Roy, Saibal Jana, Thomas Weyhermuller, Priyata Banerjee Novel colorimetric hydrazine-functionalized Schiff base chemoreceptor [N1N3bis(perfluorobenzylidene)isophthalahydrazide] NBPBIH has been prepared for selective detection of F−. In this receptor more NH and CN units are incorporated for better colorimetric responses as compared to systems having lesser number of such units. NBPBIH turns from …

Alice Gadea, Pierre Le Pogam, Grichka Biver, Joël Boustie, Anne-Cécile Le Lamer, Le Dévéhat Françoise, Maryvonne Charrier Notodiscus hookeri is the only representative of terrestrial gastropods on Possession Island and exclusively feeds on lichens. The known toxicity of various lichen metabolites to plant-eating invertebrates led us to propose that N. hookeri evolved means to protect …

M.R. Chae, S.J. Kang, K.P. Lee, B.R. Choi, H.K. Kim, J.K. Park, C.Y. Kim, S.W. Lee Onion (Allium cepa L.) and quercetin protect against oxidative damage and have positive effects on multiple functional parameters of spermatozoa, including viability and motility. However, the associated underlying mechanisms of action have not yet been identified. The aim of …

Til Bahadur Thapa Magar, Tara Man Kadayat, Hye Jin Oh, Pil-Hoon Park, Eun-Seok Lee Chromanone-containing compounds have been reported to possess several important biological activities. As a part of our continuing effort for discovering potent anti-inflammatory agents, a series of halogen-containing 3-benzylidenechroman-4-ones (1–15) were synthesized, and evaluated for their inhibitory effect on lipopolysaccharide (LPS)-stimulated reactive …

Raymond Glahn, Elad Tako, Jonathan Hart, Jere Haas, Mercy Lung’aho, Steve Beebe This paper represents a series of in vitro iron (Fe) bioavailability experiments, Fe content analysis and polyphenolic profile of the first generation of Fe biofortified beans (Phaseolus vulgaris) selected for human trials in Rwanda and released to farmers of that region. The objective …

P. Perez-Hurtado, E. Palmer, T. Owen, C. Aldcroft, M.H. Allen, J. Jones,,C.S. Creaser, M.R. Lindley, M.A. Turner, J.C. Reynolds The rapid screening of volatile organic compounds (VOCs) by direct analysis has potential applications in the areas of food and flavour science. Currently, the technique of choice for VOC analysis is gas chromatography/mass spectrometry (GC/MS). However, …

Pritam Ghosh, Partha Roy, Anata Ghosh, Saibal Jana, Naresh Chandra Murmu, Subhra Kanti Mukhopadhyay, Priyabrata Banerjee Explosive and Pollutant Nitro Aromatics (epNACs) like 2,4,6-trinitrophenol (TNP) has been detected from various surface water specimens by luminescent Schiff base Organic Frameworks (SOFs) by fluorometric method. Fluorescence intensity of the receptor SOFs have been quenched in presence of …

Aaron L. Smith, Hasse Walum, Fawn Connor-Stroud, Sara M. Freeman, Kiyoshi Inoue, Lisa A. Parr, Mark M. Goodman, Larry J. Young The physiology of the oxytocin receptor has increasingly become a focus of scientific investigation due to its connection with social behavior and psychiatric disorders with impairments in social funciton. Experimental utilization of small molecule …

Additi Roy Chowdhury, Amita Mondal, Biswajit Gopal Roy, Jagadeesh C. Bose K, Sudit Mukhopadhyaye and Priyabrata Banerjee Two novel hydrazine based sensors, BPPIH (N1, N3-bis(perfluorophenyl)isophthalohydrazide) and BPBIH (N1′, N3′-bis(perfluorobenzylidene)isophthalohydrazide), are presented here. BPPIH is found to be a highly sensitive pH sensor in the pH range 5.0 to 10.0 in a DMSO–water solvent mixture with …

Executive Summary: LESA and LESAplus liquid chromatography provide novel surface analysis tools for the spatial resolution of analytes from a wide variety of surfaces. Whole body or organ sections in particular can be probed for small molecules, lipids and proteins with a resolution of 400 – 1000μm. Commercial solution allows for automated processing of samples (Advion TriVersa NanoMate® …

Daniel J. Ryan, David Nei, Boone M. Prentice, Kristie L. Rose, Richard M. Caprioli, Jeffrey M. Spraggins Robotic liquid surface extractions can be used to interrogate discrete regions of tissue to provide protein identifications with high throughput, accuracy, and robustness. The direct coupling of tissue surface extractions and liquid chromatography, offers a new and effective …

Lieke Lamont, Mark Baumert, Nina Ogrinc Potočnik, Mark Allen, Rob Vreefken, Ron M. A. Heeren, and Tiffany Porta Direct analysis by mass spectrometry (imaging) has become increasingly deployed in preclinical and clinical research due to its rapid and accurate readouts. However, when it comes to biomarker discovery or histopathological diagnostics, more sensitive and in-depth profi …

Rian L. Griffiths, Emma K. Sisley, Andrea F. Lopez-Clavija, Anna L. Simmonds, Iain B. Styles, Helen J. Cooper Here, researchers present native liquid extraction surface analysis (LESA) mass spectrometry imaging of proteins and protein complexes from mouse brain and liver tissue. Intact proteins were detected in characteristically low charge states, indicating that the proteins remain …

Flow electrochemistry is an efficient methodology to generate radical intermediates. An electrochemical flow microreactor has been designed and manufactured to improve the efficiency of electrochemical flow reactions. With this device only little or no supporting electrolytes are needed, making processes less costly and enabling easier purification. This is demonstrated by the facile synthesis of amidyl radicals used in intramolecular hydroaminations to produce isoindolinones. The combination with inline mass spectrometry facilitates a much easier combination of chemical steps in a single flow process. The in-line MS analysis was carried out using Advion Expression® CMS (Atmospheric Pressure Ionisation Techniques (APCI)) and an MRA® valve.

Overview: Direct sample analysis is possible via an Atmospheric Solids Analysis Probe (ASAP®) combined with atmospheric pressure chemical ionization (APCI) on a compact mass spectrometer. This technique allows for the rapid investigation (<30 sec) of material suspected of containing trace amounts of explosive residues. The expression® Compact Mass Spectrometer (CMS) with an Atmospheric Solids Analysis …

Bacteria can be benign, beneficial and harmful, for more than 70 years we have been combatting these microscopic creatures with antibiotics. Increasingly though strains of antimicrobial resistant bacteria are becoming commonplace. This has motivated numerous studies aimed at deciphering the evolution of antibiotic resistance. Volatile Organic Compounds (VOCs) are ubiquitous in nature and are produced …

Many chemical reactions carried out by synthetic chemists involve air-sensitive compounds such as metal catalysts and organometallics and must therefore be carried out in a glove box or using a Schlenk line to prevent oxidation and hydrolysis. Sampling and transportation of these samples to a mass spectrometer by an Atmospheric Solids Analysis Probe (ASAP®) without …

The data collected from the analysis on the portable Advion CMS were treated in exactly the same way as the data collected from the Waters LCT and although the mass resolution and sensitivity of the two instruments is different the same clustering patterns were seen in the PCA scores plots. The PCA loadings plots also …

ABSTRACT: Large-scale metabolic profiling requires the development of novel economical high-throughput analytical methods to facilitate characterization of systemic metabolic variation in population phenotypes. We report a fit-forpurpose direct infusion nanoelectrospray high-resolution mass spectrometry (DI-nESI-HRMS) method with time-of-flight detection for rapid targeted parallel analysis of over 40 urinary metabolites. The newly developed 2 min infusion method …

Aim: Breath analyses have potential to detect early signs of disease onset. Ambient ionization allows direct combination of breath gases with MS for fast, on-line analysis. Portable MS systems would facilitate field/clinic-based breath analyses. Results & methodology: Volunteers ingested peppermint oil capsules and exhaled volatile compounds were monitored over 10 h using a compact mass …

The novel Peak Express™ technology was evaluated and applied to natural product extracts. Peak Express™ utilizes delta ion currents, a differential ion current with significantly improved signal-to-noise as well as enhanced detection ability for low abundance compounds.

A rapid unknown sample analysis is performed using a novel volatile APCI source with CMS detection and on-line database search.

Cost effective, multidimensional GRAS (generally recognized as safe) counterfeit protection of drugs based on uniformly 13C labeled amino acids with compact mass spectrometry detection.

The preparation and full characterization of an iridium complex of the monocarba-closo-dodecaborate anion is reported. It was prepared by B–H bond activation using a tosyl amide directing group. Analysis by spectroscopic methods and X-ray crystallography revealed the presence a direct B–Ir interaction. The carborane acts as aB,N chelating ligand towards the Ir(Cp*)(solvent) fragment, resulting in …

The early stages of nonalcoholic fatty liver disease (NAFLD) are characterized by the accumulation of fat in the liver (steatosis). This can lead to cell injury and inflammation resulting in nonalcoholic steatohepatitis (NASH). To determine whether lipid profiling of liver tissue can identify metabolic signatures associated with disease presence and severity, we explored liquid extraction …

Native liquid extraction surface analysis (LESA) mass spectrometry enables the direct sampling of
protein complexes from a solid surface. We have previously demonstrated native LESA mass
spectrometry of holomyoglobin (~17 kDa) from glass slides and tetrameric haemoglobin (~64 kDa)
from dried blood spots and thin tissue sections. Here, we further explore the capabilities of this
emerging technique by investigating a range of proteins which exist in various oligomeric states in
vivo.

MYC-mediated pathogenesis in lung cancer continues to attract interest for new therapeutic strategies. In this study, we describe a transgenic mouse model of KRAS-driven lung adenocarcinoma that affords reversible activation of MYC, used here as a tool for lipidomic profiling of MYC-dependent lung tumors formed in this model.

MYC-mediated pathogenesis in lung cancer continues to attract interest for new therapeutic strategies. In this study, we describe a transgenic mouse model of KRAS-driven lung adenocarcinoma that affords reversible activation of MYC, used here as a tool for lipidomic profiling of MYC-dependent lung tumors formed in this model.

One of the benefits of nanoelecrtospray ionization (nanoESI) is the reported optimal ionization efficiency (equalized response) of chemically different analyses despite the presence of matrix components. However, outside of a very low flow rate of ca. 1-20 nL/min, the ionization efficiency drops exponentially and coupling higher flow rates from a typical liquid chromatography (LC) system …

J. Draher, S. Ehling, N. Cellar, T. Reddy, J. Henion, N. Sousou Rapid Commun. Mass Spectrom. 2016, 30, 1265–1272 Milk-derived ingredients are widely used around the world in the manufacturing of nutritional products. They are prone to economically motivated adulteration with nitrogenous compounds such as melamine and its analogs in order to increase the nitrogen …

A recent development in mass spectrometry is the design of smaller sized MS systems with full analytical capability (compact mass spectrometry, CMS). CMS systems with fragmentation analysis are very cost effective analysis solutions and ideally suited for reaction and quality control in SPPS including detailed product characterization3. Here, we evaluate the utility of a system …

M. Montowska, M.R. Alexander, G.A. Tucker, D.A. Barrett Anal Chem. 2014 Oct 21;86(20):10257-65. doi: 10.1021/ac502449w In this Article, our previously developed ambient LESA-MS methodology is implemented to analyze five types of thermally treated meat species, namely, beef, pork, horse, chicken, and turkey meat, to select and identify heat-stable and species-specific peptide markers. In-solution tryptic digests …

N. Holmes, G.R. Akien, R.J.D. Savage, C. Stanetty, I.R. Baxendale, A.J. Blacker, B.A. Taylor, R.L. Woodward, R.E. Meadows, and R.A. Bourne An automated continuous reactor for the synthesis of organic compounds, which uses online mass spectrometry (MS) for reaction monitoring and product quantification, is presented. Quantitative and rapid MS monitoring was developed and calibrated using …

Native mass spectrometry seeks to probe noncovalent protein interactions in terms of protein quaternary structure, protein–protein and protein–ligand complexes. The ultimate goal is to link the understanding of protein interactions to the protein environment by visualizing the spatial distribution of noncovalent protein interactions within tissue. Previously, we have shown that noncovalently bound protein complexes can …

University of Cambridge Abstract We have developed a modular software system that enables researchers to monitor and control chemical reactions via the Internet, using any device from any location in the world. It facilitates the automation of synthetic procedures and is able to autonomously self-optimize reaction parameters to find the best conditions meeting customizable, multicomponent …

P. P. Hurtado1, E., Palmer1, C. Aldcroft2, H. Moore2, A. Baker2. M. Allen2, J. Jones2, M.A. Turner1, J.C. Reynolds1 1Centre for Analytical Science, Department of Chemistry, Loughborough University, Ashby Road, Loughborough, Leicester, LE11 3TU, UK 2Advion UK Ltd The development of new interfaces that enable direct analysis of VOCs represents an attractive and low cost …

Advion has the cover story of the September 2015 issue of the Journal of Mass Spectrometry. We present a method requiring no sample preparation for the direct identification of indigoid colorants in tiny amounts in ancient historic fabrics using ASAP®-MS. Exact determinations were completed in less than 1 min.

  Rian Griffiths,   Alex Dexter,   Andrew Creese and   Helen J Cooper  Analyst, 2015,  Accepted Manuscript DOI: 10.1039/C5AN00933B Liquid extraction surface analysis (LESA) is a surface sampling technique that allows electrospray mass spectrometry analysis of a wide range of analytes directly from biological substrates. Here, we present LESA mass spectrometry coupled with high field asymmetric waveform ion …

Spectroscopyonline.com Jul 01, 2015 By Daniel Eikel, Simon J. Prosser, Jack D. Henion Special Issues Issue 7, pg 20–27 The transition of cannabis from an illegal drug to a drug for medical and even recreational use raises challenging questions for regulatory agencies and analytical chemists alike. Here, we show a selection of analytical techniques based …

Young, LM,  Saunders, JC, Mahood, RA, Revill, CH, Foster, RJ, Tu, LH, Raleigh, DP, Radford, SE, Ashcroft, AE Nature Chemistry7,73–81(2015)doi:10.1038/nchem.2129 The search for therapeutic agents that bind specifically to precursor protein conformations and inhibit amyloid assembly is an important challenge. Identifying such inhibitors is difficult because many protein precursors of aggregation are partially folded or …

Randall EC, Bunch J, Cooper HJ; Anal Chem. 2014 Nov 4;86(21):10504-10. doi: 10.1021/ac503349d. Epub 2014 Oct 23 Top-down identification of proteins by liquid extraction surface analysis (LESA) mass spectrometry has previously been reported for tissue sections and dried blood spot samples. Here, we present a modified “contact” LESA method for top-down analysis of proteins directly …

Martin NJ, Griffiths RL, Edwards RL, Cooper HJ. J Am Soc Mass Spectrom. 2015 May 20. [Epub ahead of print] Liquid extraction surface analysis (LESA) mass spectrometry is a promising tool for the analysis of intact proteins from biological substrates. Here, we demonstrate native LESA mass spectrometry of noncovalent protein complexes of myoglobin and hemoglobin …

There have been a few reports on thin layer chromatography/mass spectrometry (TLC/MS) and thin layer chromatography/tandem mass spectrometry (TLC/MS/MS). The merits of TLC/MS (i.e., without MS/MS or high-resolution mass measurement) include lower-cost mass spectrometers, ease of operation and molecular weight (MW) information when applicable. TLC/MS/MS offers additional benefits, but requires more expensive instrumentation and more …

We have combined the benefits of both microfluidics and flow hydrogenation to provide facile access to previously underutilized reduction and protecting group chemistries for PET imaging applications. The rapid removal of an O-benzyl protecting group to prepare 2-[(18)F]fluoroquinolin-8-ol and the reduction of a nitro group in the synthesis of 4-[(18)F]fluoroaniline were achieved within 3 minutes.

The synthesis of fluorine-18 labeled 3-fluoro-5-[(pyridin-3-yl)ethynyl] benzonitrile ([18F]FPEB) for imaging metabotropic glutamate receptor subtype type 5 (mGluR5) was achieved with a commercial continuous-flow microfluidics device. This work represents the first positron emission tomography (PET) radiopharmaceutical that is suitable for human use with this technology. We also describe a validated synthesis of [18F]FPEB with a commercial …

Despite extensive preclinical imaging with radiotracers developed by continuous-flow microfluidics, a positron emission tomographic (PET) radiopharmaceutical has not been reported for human imaging studies by this technology. The goal of this study was to validate the synthesis of the tau radiopharmaceutical 7-(6-fluoropyridin-3-yl)-5H-pyrido[4,3-b]indole ([18F]T807) and perform first-in-human PET scanning enabled by microfluidic flow chemistry. A clinical …

Reinaldo Almeida, Zane Berzina, Eva C. Arnspang, Jan Baumgart, Johannes Vogt, Robert Nitsch, and Christer S. Ejsing Anal. Chem., Just Accepted Manuscript DOI: 10.1021/ac503627z Publication Date (Web): December 30, 2014 Copyright © 2014 American Chemical Society   Here we describe a novel surface sampling technique termed pressurized liquid extraction surface analysis (PLESA), which in combination …

Economic adulteration of milk involves adulteration with nitrogen-rich compounds to interfere with the widely used Kjeldahl protein assay and inate the total protein content result for economic gains. The economic adulteration issue garnered global attention during the melamine scandal in 2007 which resulted in the sickening and deaths of infants fed with adulterated milk powder. …

M.R.L. Paine, I.D. Rae, S.J. Blanksby  Rapid Commun. Mass Spectrom. 2014, 28, 1203-1208

The purpose of this study was to evaluate the positive and negative electrospray (ESI) and atmospheric pressure chemical ionization (APCI) LC/MS ion current response from a representative synthetic mixture of standard pharmaceutical compounds. The selected drup compounds were prepared as an equimolar mixture and analyzed by an optimized gradient LC/MS procedure using a novel compact …

M. Lorenz; O.S. Ovchinnikova; G.J. Van Berkel Rapid Commun. Mass Spectrom. 2014, 28, 1-9

M. Himmelsbach; E. Varesio; G. Hopfgartner CHIMIA 2014, 68, Nr. 3 doi:10.2533/chimia.2014.150

L. Tomlinson; J. Fuchser; A. Futterer; M. Baumert; D.G. Hassall; A. West; P.S. Marshall Rapid Commun. Mass Spectrom. 2014, 28, 995-1003

The expression® compact mass spectrometer (CMS) was developed based on decades of chemistry and mass spectrometry experience specifically to meet the needs of chemists. Many chemists are asked to perform their work in the field, and the CMS was built to be versatile. It is available with a TACOM-compliant Mobile Attenuation Mounting (MAM) system. This allows the …

Martin NJ, Bunch J, Cooper HJ J Am Soc Mass Spectrom. 2013 Aug;24(8):1242-9

Giancarlo Pascalia, et al. Nuclear Medicine and Biology Volume 40, Issue 6, August 2013, Pages 776–787

Goa College of Pharmacy Abstract The present study was undertaken to carry out phytochemical investigation of the ethanolic extract of the stem bark of Terminalia tomentosa Roxb (ex DC) Wight & Arnbelonging to the family Combreteaceae. The plant is known in Sanskrit as Asana, in English as Black murdah, in Hindi as Asan, Saj, Sain …

In this study we evaluated the performance of a Preparative SFC‐MS system combining the JASCO Preparative SFC with the Advion expression® CMS (Compact Mass Spectrometer) utilizing a simplified passive splitter for mass‐directed fraction collection. The initial test explored a wide range of flow rates both isocratic and gradient to test performance and reliability of the …

M. Wisztorski; B. Fatou; J. Franck; A. Desmons; I. Farre; E. Leblanc; I. Fournier; M. Salzet Proteomics Clin. Appl. 2013, 7, 1-7

V. Kertesz; G.J. Van Berkel Bioanalysis 2013 Apr;5(7):819-26. doi: 10.4155/bio.13.42.

There is a concerted effort by regulatory bodies, such as the EPA to reduce the exposure of environmental contaminants, such as inorganic anions to humans and the environment. Achieving lower analytical detection limits of hazardous compounds in environmental matrices such as water, soils and sediments allows regulatory bodies to make better informed decisions on the …

Steven H. Liang, et al. Chem. Commun., 2013,49, 8755-8757 DOI: 10.1039/C3CC45166F

Charlton, Michael Presented at COMPOUNDS & RADIOPHARMACEUTICALS, 2013 – ncl.ac.uk

Thomas M. Moore, et al. Applied Radiation and Isotopes Volume 71, Issue 1, January 2013, Pages 47–50

In natural product research the isolation of compounds from crude extracts is a key element. An increase in the efficiency of the purification process, by improvement of instrumental and methodological approaches, remains a crucial point. In this respect, modern flash chromatography, has evolved and uses 15 μm spherical particles for efficient separation at moderate pressures. …

Chun JH, Lu S, Pike VW DOI: 10.1002/ejoc.201100382

Christopher D. Reed, et al. Journal of Fluorine Chemistry Volume 143, November 2012, Pages 231–237

Kenneth Dahl, et al. Journal of Labelled Compounds and Radiopharmaceuticals Volume 55, Issue 13, pages 455–459, November 2012

Matthew Tredwell, Véronique Gouverneur Angewandte Chemie International Edition Volume 51, Issue 46, pages 11426–11437, November 12, 2012

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