scholarly journals Ion Mobility Spectrometry as a Potential Tool for Flavor Control in Chocolate Manufacture

Foods ◽  
2019 ◽  
Vol 8 (10) ◽  
pp. 460
Author(s):  
Carolin Schmidt ◽  
Doris Jaros ◽  
Harald Rohm
Keyword(s):  
Ion Mobility Spectrometry ◽  
Ion Mobility ◽  
Mechanical Treatment ◽  
Drift Time ◽  
Principal Component ◽  
Respective Treatment ◽  
Thermo Mechanical Treatment ◽  
Processing Steps ◽  
Flavor Profile ◽  
Potential Tool

Chocolate has a complex flavor profile composed of more than 600 volatile compounds that mainly arise from the thermo-mechanical treatment during roasting and conching. The aim of this study was to evaluate the applicability of ion mobility spectrometry (IMS), as a real-time method for process monitoring in chocolate manufacture. It is evident from the ion mobility (IM) fingerprint spectra that individual processing steps affect the signal intensities at particular drift time regions. The analysis of individual IM spectra by principal component analysis (PCA) revealed that it is possible to distinguish with respect to conching temperature and time. PCA also allowed identifying those parts of the IM spectra that were predominantly affected by the respective treatment. It was, on the basis of the IM flavor fingerprints and subsequent PCA, possible to distinguish between the different states of processing of bulk cocoa. The results of the study imply that, using appropriate post-data treatment, IMS could be used for process control in cocoa processing.

scholarly journals Characterization of the Flavor Profile of Bigeye Tuna Slices Treated by Cold Plasma Using E-Nose and GC-IMS

Fishes ◽  
2022 ◽  
Vol 7 (1) ◽  
pp. 13
Author(s):  
Weicong Pan ◽  
Soottawat Benjakul ◽  
Chiara Sanmartin ◽  
Alessandra Guidi ◽  
Xiaoguo Ying ◽  
...  
Keyword(s):  
Ion Mobility ◽  
Cold Plasma ◽  
Principal Component ◽  
Bigeye Tuna ◽  
Volatile Flavor Compounds ◽  
Physicochemical Changes ◽  
Thunnus Obesus ◽  
Volatile Flavor ◽  
Flavor Profile

To avoid heat, treatment induces numerous physicochemical changes under severe conditions in the tuna, cold plasma (CP), as a non-thermal technology, possess objective potential on tuna processing. The effect of cold plasma on the volatile flavor compounds of bigeye tuna (Thunnus obesus) sashimi has been evaluated using electronic nose (E-nose) and gas chromatography-ion mobility spectrometry (GC-IMS). GC–IMS results revealed a total of 33 volatile compounds in tuna slices. The effect of CP treatment on tuna flavor was not significant, furthermore CP could protect volatile freshness compounds such as 1-hexanol. Principal component analysis (PCA) of the E-nose and GC–IMS results could effectively differentiate the effect of storage to tuna sashimi. There was a high correlation between the E-nose and GC–IMS results, providing a theoretical basis for establishing the flavor fingerprint of tuna sashimi.

scholarly journals IMS2 – An integrated medical software system for early lung cancer detection using ion mobility spectrometry data of human breath

2007 ◽  
Vol 4 (3) ◽  
pp. 186-197 ◽  
Author(s):  
Jan Baumbach ◽  
Alexander Bunkowski ◽  
Sita Lange ◽  
Timm Oberwahrenbrock ◽  
Nils Kleinbölting ◽  
...  
Keyword(s):  
Lung Cancer ◽  
Ion Mobility Spectrometry ◽  
Ion Mobility ◽  
Software System ◽  
Medical Software ◽  
Cancer Types ◽  
The One ◽  
Lung Cancer Detection ◽  
Processing Steps ◽  
Fold Cross Validation

Abstract IMS2 is an Integrated Medical Software system for the analysis of Ion Mobility Spectrometry (IMS) data. It assists medical staff with the following IMS data processing steps: acquisition, visualization, classification, and annotation. IMS2 provides data analysis and interpretation features on the one hand, and also helps to improve the classification by increasing the number of the pre-classified datasets on the other hand. It is designed to facilitate early detection of lung cancer, one of the most common cancer types with one million deaths each year around the world.After reviewing the IMS technology, we first describe the software architecture of IMS2 and then the integrated classification module, including necessary pre-processing steps and different classification methods. The Lung Hospital Hemer (Germany) provided IMS data of 35 patients suffering from lung cancer and 72 samples of healthy persons. IMS2 correctly classifies 99% of the samples, evaluated using 10-fold cross-validation.

Average drift time and average mobility in ion mobility spectrometry

2017 ◽  
Vol 412 ◽  
pp. 20-25 ◽  
Author(s):  
Zahra Izadi ◽  
Mahmoud Tabrizchi ◽  
Hossein Farrokhpour
Keyword(s):  
Ion Mobility Spectrometry ◽  
Ion Mobility ◽  
Drift Time

scholarly journals On the Separation of Enantiomers by Drift Tube Ion Mobility Spectrometry

2021 ◽  
Author(s):  
Roberto Fernandez-Maestre ◽  
Markus Doerr
Keyword(s):  
Ion Mobility Spectrometry ◽  
Ion Mobility ◽  
Gas Flow ◽  
Drift Time ◽  
Chiral Selector ◽  
Buffer Gas ◽  
Chiral Drugs ◽  
Experimental Conditions ◽  
Chiral Selectors ◽  
Racemic Mixtures

<p><a>Racemic mixtures of twelve common </a>a-amino acids and three chiral drugs were tested for the separation of their enantiomers by ion mobility spectrometry (IMS)-quadrupole mass spectrometry (MS). Separations were tested by introducing chiral selectors in the mobility spectrometer buffer gas. (R)-α-(trifluoromethyl) benzyl alcohol, (R)-tetrahydrofuran-2-carbonitrile, (L)-ethyl lactate, methyl (S)-2-chloropropionate, and the R and S enantiomers of 2-butanol and 1-phenyl ethanol were evaluated as chiral selectors. Experimental conditions were varied during the tests including buffer gas temperature, concentration, and type of chiral selectors, analyte concentration, electrospray voltage, electrospray (ESI) solvent pH, and buffer gas flow. The individual enantiomers yielded different drift times for periods of up to 8 hours in a few experiments; such drift times were sufficiently different (~ 0.3 ms) to partially resolve the enantiomers in racemic mixtures, but these mixtures always yielded a single mobility peak at the experimental conditions tested with a drift time similar to that of one of the enantiomers. Energy calculations of the chiral selector –ion interactions showed that these separations are unlikely using 2-butanol as chiral selector but they might be feasible depending on the nature of chiral selectors and the type of enantiomers.</p>

scholarly journals A Novel Method Based on Headspace-Ion Mobility Spectrometry for the Detection and Discrimination of Different Petroleum Derived Products in Seawater

Sensors ◽  
2021 ◽  
Vol 21 (6) ◽  
pp. 2151
Author(s):  
Lucas Jaén-González ◽  
Ma José Aliaño-González ◽  
Marta Ferreiro-González ◽  
Gerardo F. Barbero ◽  
Miguel Palma
Keyword(s):  
Ion Mobility Spectrometry ◽  
Ion Mobility ◽  
Incubation Temperature ◽  
Drift Time ◽  
Sample Volume ◽  
Intermediate Precision ◽  
Injection Volume ◽  
Relative Standard ◽  
Multiple Sensor ◽  
Seawater Samples

The objective of the present study is to develop an optimized method where headspace-ion mobility spectrometry is applied for the detection and discrimination between four petroleum-derived products (PDPs) in water. A Box–Behnken design with a response surface methodology was used, and five variables (incubation temperature, incubation time, agitation, sample volume, and injection volume) with influences on the ion mobility spectrometry (IMS) response were optimized. An IMS detector was used as a multiple sensor device, in which, each drift time acts as a specific sensor. In this way, the total intensity at each drift time is equivalent to multiple sensor signals. According to our results, 2.5 mL of sample incubated for 5 min at 31 °C, agitated at 750 rpm, and with an injection volume of 0.91 mL were the optimal conditions for successful detection and discrimination of the PDPs. The developed method has exhibited good intermediate precision and repeatability with a coefficient of variation lower than 5%, (RSD (Relative Standard Deviation): 2.35% and 3.09%, respectively). Subsequently, the method was applied in the context of the detection and discrimination of petroleum-derived products added to water samples at low concentration levels (2 µL·L−1). Finally, the new method was applied to determine the presence of petroleum-derived products in seawater samples.

scholarly journals On the Separation of Enantiomers by Drift Tube Ion Mobility Spectrometry

2021 ◽  
Author(s):  
Roberto Fernandez-Maestre ◽  
Markus Doerr
Keyword(s):  
Ion Mobility Spectrometry ◽  
Ion Mobility ◽  
Gas Flow ◽  
Drift Time ◽  
Chiral Selector ◽  
Buffer Gas ◽  
Chiral Drugs ◽  
Experimental Conditions ◽  
Chiral Selectors ◽  
Racemic Mixtures

<p><a>Racemic mixtures of twelve common </a>a-amino acids and three chiral drugs were tested for the separation of their enantiomers by ion mobility spectrometry (IMS)-quadrupole mass spectrometry (MS). Separations were tested by introducing chiral selectors in the mobility spectrometer buffer gas. (R)-α-(trifluoromethyl) benzyl alcohol, (R)-tetrahydrofuran-2-carbonitrile, (L)-ethyl lactate, methyl (S)-2-chloropropionate, and the R and S enantiomers of 2-butanol and 1-phenyl ethanol were evaluated as chiral selectors. Experimental conditions were varied during the tests including buffer gas temperature, concentration, and type of chiral selectors, analyte concentration, electrospray voltage, electrospray (ESI) solvent pH, and buffer gas flow. The individual enantiomers yielded different drift times for periods of up to 8 hours in a few experiments; such drift times were sufficiently different (~ 0.3 ms) to partially resolve the enantiomers in racemic mixtures, but these mixtures always yielded a single mobility peak at the experimental conditions tested with a drift time similar to that of one of the enantiomers. Energy calculations of the chiral selector –ion interactions showed that these separations are unlikely using 2-butanol as chiral selector but they might be feasible depending on the nature of chiral selectors and the type of enantiomers.</p>

scholarly journals Ion-shift reagent binding energy and the shift-mass correlation in ion mobility spectrometry

2022 ◽  
Author(s):  
Roberto Fernandez-Maestre ◽  
Mahmoud Tabrizchi ◽  
Dairo Meza-Morelos
Keyword(s):  
Molecular Weight ◽  
Binding Energy ◽  
Interaction Energy ◽  
Ion Mobility Spectrometry ◽  
Ion Mobility ◽  
Drift Time ◽  
Shift Reagent ◽  
False Positives ◽  
Time Shift ◽  
Buffer Gas

Ion mobility spectrometry is widely used for the detection of illegal substances and explosives in airports, ports, custom, some stations and many other important places. This task is usually complicated by false positives caused by overlapping the target peaks with that of interferents, commonly associated with samples of interest. Shift reagents (SR) are species that selectively change ion mobilities through adduction with analyte ions when they are introduced in IMS instruments. This characteristic can be used to discriminate false positives because the interferents and illegal substances respond differently to SR depending on the structure and size of analytes and their interaction energy with SR. This study demonstrates that ion mobility shifts upon introduction of SR depend, not only on the ion masses, but on the interaction energies of the ion:SR adducts. In this study, we introduced five different SRs using ESI-IMS-MS to study the effect of the interaction energy and size on mobility shifts. The mobility shifts showed a decreasing trend as the molecular weight increased for the series of compounds ethanolamine, valinol, serine, threonine, phenylalanine, tyrosine, tributylamine, tryptophan, desipramine, and tribenzylamine. It was proved that the decreasing trend was partially due to the inverse relation between the mobility and drift time and hence, the shift in drift time better reflects the pure effect of SR on the mobility of analytes. Yet the drift time shift exhibited a mild decrease with the mass of ions. Valinol pulled out from this trend because it had a low binding energy interaction with all the SR and, consequently, its clusters were short-lived. This short lifetime produced fewer collisions against the buffer gas and a drift time shorter compared to those of ions of similar molecular weight. Analyte ion:SR interactions were calculated using Gaussian. IMS with the introduction of SR could be the choice for the free-interferents detection of illegal drugs, explosives, and biological and warfare agents. The suppression of false positives could facilitate the transit of passengers and cargos, rise the confiscation of illicit substances, and save money and distresses due to needless delays. Keywords: Adduction, ion mobility spectrometry, mass spectrometry, shift reagent, valinol, buffer gas modifier

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