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The authors discuss the use of serial coulometric flow cells coupled online with electrospray ionization mass spectrometry in predictive assays for absorption, distribution, metabolism, excretion, toxicity (ADME/Tox), and stability implemented at early stages of drug discovery.

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We present a brief review of this year's ASMS conference, which took place June 5–9, 2011, in Denver, Colorado.

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Specific purity requirements are set for water sources, whether we deal with waste, ground, surface, or drinking water. Water quality is key, and it is becoming a focal point for an increasing number of communities worldwide. Water quality determines the use of a body of water such as for manufacturing, farming, fishing, and human consumption. The reason to strive to maintain or improve a given body of water is to preserve or upgrade its quality, because once this quality degrades, so does its value.

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Analyze recycled polyethylene to improve your PE quality using a swapple-furnace DSC operating the broadest temp range at its price point and high-throughput autosampling.

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A person-portable gas chromatography–mass spectrometry (GC–MS) system employing a toroidal ion trap mass spectrometry (TMS) detector was used to analyze chemical threat related compounds. Introduction of analytes into the heated injector of the instrument was by solid-phase microextraction (SPME), and fast resistive heating of a low thermal mass (LTM) gas chromatography column assembly provided rapid analysis times. Methodology for positive identification of chemical threats can combine chromatographic retention time, comparison to traditional electron ionization mass spectral libraries, and observation of expected pseudomolecular ions produced through self-chemical ionization. Methods are discussed for sampling by SPME with GC–MS analysis in the field to measure airborne analyte concentrations.

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The authors discuss progress in near-field IR microspectroscopy using a photothermal probe and show how it can be applied to the spectroscopic characterization of real-world samples.

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The authors demonstrate the capacity to separate petroleum-derived molecules having the same nominal mass in the mobility dimension using IM-MS spectrometry.

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The authors discuss the use of serial coulometric flow cells coupled online with electrospray ionization mass spectrometry in predictive assays for absorption, distribution, metabolism, excretion, toxicity (ADME/Tox), and stability implemented at early stages of drug discovery.

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The analysis of toy samples for toxic trace elements has been undertaken for many years. However, a number of recent cases of toys contaminated with heavy metals has attracted global media attention. This has resulted in an increase in the number of toy manufacturers performing their own 'in-house' testing. This 'in-house' testing is not only to ensure regulatory compliance; it is also proving significantly more cost effective than outsourcing the analysis.

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This article discusses the analysis of a wide range of CWAs at current exposure limits and describes a number of recent beneficial developments in TD and associated analytical technologies for the identification and quantification of CWAs at these levels.

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Specific purity requirements are set for water sources, whether we deal with waste, ground, surface, or drinking water. Water quality is key, and it is becoming a focal point for an increasing number of communities worldwide. Water quality determines the use of a body of water such as for manufacturing, farming, fishing, and human consumption. The reason to strive to maintain or improve a given body of water is to preserve or upgrade its quality, because once this quality degrades, so does its value.

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Clays, like kaolinite and smectite, are hygroscopic and it is well known that the adsorbed water can be driven off at elevated temperatures. At very low temperatures, in addition to the typical band narrowing and shifting, changes in the O-H bond vibrational modes of clays have also been observed.

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In drug discovery, determining information about the extent of metabolism and the elucidation of metabolite structures is a vital step for lead optimization and drug scaffold refinement. The identification and characterization of metabolites plays an important role in both the drug discovery and development phases, as unsuitable pharmacokinetics (bioavailability and drug distribution), toxicity, and adverse drug reactions might be linked to metabolic instability. Historically, metabolite identification was carried out after a compound had been chosen for drug development. However, to reduce candidate failures attributed to toxicity effects, many pharmaceutical companies now conduct these experiments in the earliest phases of candidate drug selection.

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In this study, far-UV CD spectra of eight different mammalian serum albumins were measured repeatedly using automated CD spectroscopy. Two independent methods of normalizing the CD data were used to eliminate the need for accurate knowledge of protein concentration or extinction coefficient. The normalized far-UV data, representative of secondary structure, were compared to determine if there were statistically significant differences between samples. The two normalization methods agreed in every case, increasing confidence in the results.

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This article discusses the analysis of a wide range of CWAs at current exposure limits and describes a number of recent beneficial developments in TD and associated analytical technologies for the identification and quantification of CWAs at these levels.

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This application note demonstrates using ATR to examine the changes in surface orientation as a function of the distance from the injection point or gate.

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Webinar Date/Time: Thu, May 30, 2024 11:00 AM EDT

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By switching to a Raptor C18 column, labs can process more samples per hour while still meeting fluorochemical method requirements.

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In this study, general extract screening of food storage materials was done with nontargeted analytical methods to understand what analytes could potentially leach into food or beverages. GC and mass spectral deconvolution effectively separated analytes within the complex mixture and TOF-MS provided full mass range spectral data for identification. This workflow can be used for confident characterization of components present as extractables from food packaging materials.

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Detrimental health effects of a group of brominated flame retardants, polybrominated diphenyl ethers (PBDEs), have been recognized recently, but only after their wide usage and consequently, global dispersal. Of the possible 209 PBDE congeners, 39 (varying in degree of bromination from mono to deca) have been identified previously in the three common technical mixtures. Additional congeners, presumably debromination products of the fully brominated decabromodiphenyl ether (BDE-209), also have been reported in biotic and abiotic environments. However, costly analytical standards are needed to confirm their identification. In addition, the most widely used identification approach, electron ionization (EI) mass spectrometry (MS), primarily produces spectra indicating only homologue grouping (for example, hepta-BDE). Without specific compound identification, full assessment of toxicological consequences of PBDE burdens is impeded. It has been reported previously that electron-capture negative ionization (ECNI),..

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The authors demonstrate the capacity to separate petroleum-derived molecules having the same nominal mass in the mobility dimension using IM-MS spectrometry.

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Combined with appropriate selection of instrument components to reduce the sulfur background, ICP-MS using MS/MS with oxygen reaction cell gas can provide accurate low-level analysis of sulfur and sulfur isotope ratios in aqueous and organic matrices. This is useful in applications in life science, clinical research, pharmaceutical development, food safety, environmental monitoring, geochemistry, and petrochemistry.

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Acquisition and interpretation of a spectra database for ICP-AES analysis are described. The aim is the selection of nanometer-wide spectral windows containing several elements and several lines per element, so as to perform multiline analysis. An automatic line assignment procedure has been used. Information such as wavelength, sensitivity, line width, limit of detection, and level of detector saturation are stored. Filtering procedures are used for line selection, taking into account concentrations and possible spectral interferences.

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Multiple reflection attenuated total reflection FT-IR accessory allows for protein analysis of strongly IR-absorbing samples, such as aqueous solutions.

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Tiny Wearable Raman Spectrometers for Direct and SERS Detections for the Real World!

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Raman confocal spectroscopy is increasingly being applied for the analysis of embedded contaminants within materials. A non-contact, non-destructive analysis method, Raman spectroscopy requires very little sample preparation, has greater spatial resolution compared to FT-IR microscopy and the confocal analysis method allows visualization of materials within a clear sample matrix. This paper will investigate the analysis of an embedded contaminant within a polymer matrix on a glass substrate.

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Discover the superior performance of the AccuTOF™ GC-Alpha, designed to deliver ultimate performance and functionality for complex GC-MS analysis in industrial applications.

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One of the most powerful aspects of Raman microscopy is the capability to do confocal analysis of features inside of a sample without having to prepare or damage the sample to get the important spectral information.