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1,571 Newest Publications about the topic spectrometers


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Calibration transfer between NIR spectrometers: New proposals and a comparative study

28-Feb-2017 | Abel Folch‐Fortuny, Raffaele Vitale, Onno E. de Noord, Alberto Ferrer, Journal of Chemometrics, 2017

Calibration transfer between near‐infrared (NIR) spectrometers is a subtle issue in chemometrics and process industry. In fact, as even very similar instruments may generate strongly different spectral responses, regression models developed on a first NIR system can rarely be used with spectra ...


A Direct Link from the Gas to the Condensed Phase: A Rotational Spectroscopic Study of 2,2,2‐Trifluoroethanol Trimers

23-Feb-2017 | Javix Thomas, Nathan A. Seifert, Wolfgang Jäger, Yunjie Xu, Angewandte Chemie International Edition, 2017

Abstract Rotational spectra of the three most stable conformers (I, II, III) of the ternary 2,2,2‐trifluoroethanol (TFE) cluster were measured using Fourier transform microwave spectrometers, and unambiguously assigned with the aid of ab initio calculations. The most stable conformer, I, ...


Structural Studies of Nicotinoids: Cotinine vs. Nicotine

17-Feb-2017 | Iciar Uriarte, Cristóbal Pérez, Elena Caballero-Mancebo, Francisco J Basterretxea, Alberto Lesarri, José A Fernánd ..., Chemistry - A European Journal, 2017

Nicotinoids are agonists of the acetylcholine receptor (nAChR) and play important biochemical and pharmacological roles. Here we report on the structural and conformational landscape of cotinine, and compare its molecular properties with the nicotine prototype, from which it only differs in the ...


Spectral Counting Approach to Measure Selectivity of High-Resolution LC–MS Methods for Environmental Analysis

16-Feb-2017 | Justin B. Renaud; Lyne Sabourin; Edward Topp; Mark W. Sumarah, Analytical Chemistry, 2017

Advances in high-resolution mass spectrometers have allowed for the development of nontargeted screening methods, where data sets can be archived and retrospectively mined as new environmental contaminants are identified. We have developed a spectral counting approach to calculate the ...


Obtaining Raman spectra of minerals and carbonaceous matter using a portable sequentially shifted excitation Raman spectrometer – a few examples

10-Feb-2017 | Jan Jehlička, Adam Culka, Filip Košek, Journal of Raman Spectroscopy, 2017

We present examples of application of a recently developed portable sequentially shifted excitation Raman spectrometer for identifying three series minerals and carbonaceous matter. Those include compounds of relevance for the fields of geobiology and exobiology: sulfates and carbonates, organic ...


Mass Spectrometry Characterization of Peroxycarboxylic Acids as Proxies for Reactive Oxygen Species and Highly Oxygenated Molecules in Atmospheric Aerosols

10-Feb-2017 | Sarah S. Steimer; Ivan Kourtchev; Markus Kalberer, Analytical Chemistry, 2017

A significant fraction of atmospheric aerosol particles is composed of organic material with a highly complex but poorly characterized composition. For a better understanding of aerosol effects and processes in the atmosphere, a more detailed knowledge of aerosol components at a molecular level ...



09-Feb-2017 | Maria A. Agthoven, Peter B. O'Connor, Rapid Communications in Mass Spectrometry, 2017

ABSTRACT RATIONALE Two‐dimensional mass spectrometry is a technique that correlates precursor and product ions in a sample without requiring prior ion isolation. Until now, this technique has only been implemented on Fourier transform ion cyclotron resonance mass spectrometers. By coupling ...


Digital filters for low‐field NMR

08-Feb-2017 | Andrea Valori, Jonathan Mitchell, Edmund J. Fordham, Concepts in Magnetic Resonance Part B: Magnetic Resonance Engineering, 2017

Abstract We review the theory and operation of digital filters in modern nuclear magnetic resonance (NMR) spectrometers with fully digital receivers. Custom digital filters tailored for particular experimental requirements offer substantial improvements in signal‐to‐noise ratio (SNR), ...


Derivation of the Statistical Distribution of the Mass Peak Centroids of Mass Spectrometers Employing Analog-to-Digital Converters and Electron Multipliers

03-Feb-2017 | Andreas Ipsen, Analytical Chemistry, 2017

The mass peak centroid is a quantity that is at the core of mass spectrometry (MS). However, despite its central status in the field, models of its statistical distribution are often chosen quite arbitrarily and without attempts at establishing a proper theoretical justification for their use. ...


Synthesis and Optical Properties of BODIPY with Active Group on meso- Position

01-Feb-2017 | Matvey, Gruzdev; Ulyana, Chervonova; Natalia, Bumagina; Arkadiy, Kolker, Letters in Organic Chemistry, 2017

Abstract: Background: In this work a few approaches for the synthesis of 4,4-difluoro-8-(4’- carboxyphenyl)-4-bora-3a,4a-diaza-s-indacene are considered. The process of obtaining this boron fluoride complex involves the following stages: introduction of the protective group (methoxy-, ...


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