The Application of NMR Spectroscopy and Chemometrics in Authentication of Spices

Spices and herbs are among the most commonly adulterated food types. This is because spices are widely used to process food. Spices not only enhance the flavor and taste of food, but they are also sources of numerous bioactive compounds that are significantly beneficial for health. The healing effects of spices are connected with their antimicrobial, anti-inflammatory and carminative properties. However, regular consumption of adulterated spices may cause fatal damage to our system because adulterants in most cases are unhealthy. For that reason, the appropriate analytical methods are necessary for quality assurance and to ensure the authenticity of spices. Spectroscopic methods are gaining interest as they are fast, require little or no sample preparation, and provide rich structural information. This review provides an overview of the application of NMR spectroscopy combined with chemometric analysis to determine the quality and adulteration of spices.

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Sensing Technology for Fish Freshness and Safety: A Review

Sensors ◽

10.3390/s21041373 ◽

2021 ◽

Vol 21 (4) ◽

pp. 1373

Author(s):

Leonardo Franceschelli ◽

Annachiara Berardinelli ◽

Sihem Dabbou ◽

Luigi Ragni ◽

Marco Tartagni

Keyword(s):

Sample Preparation ◽

Spectroscopic Methods ◽

New Techniques ◽

Non Invasive ◽

Sensing Technology ◽

Physical Attributes ◽

On Line ◽

Line Process ◽

Non Destructive ◽

No Sample Preparation

Standard analytical methods for fish freshness assessment are based on the measurement of chemical and physical attributes related to fish appearance, color, meat elasticity or texture, odor, and taste. These methods have plenty of disadvantages, such as being destructive, expensive, and time consuming. All these techniques require highly skilled operators. In the last decade, rapid advances in the development of novel techniques for evaluating food quality attributes have led to the development of non-invasive and non-destructive instrumental techniques, such as biosensors, e-sensors, and spectroscopic methods. The available scientific reports demonstrate that all these new techniques provide a great deal of information with only one test, making them suitable for on-line and/or at-line process control. Moreover, these techniques often require little or no sample preparation and allow sample destruction to be avoided.

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Direct Characterization of Tire Materials by Photoacoustical Infrared and Proton Induced X-Ray Emission Spectroscopy

Rubber Chemistry and Technology ◽

10.5254/1.3538645 ◽

1992 ◽

Vol 65 (4) ◽

pp. 836-850 ◽

Cited By ~ 4

Author(s):

Walter H. Waddell ◽

James R. Parker

Keyword(s):

Sample Preparation ◽

Emission Spectroscopy ◽

Structural Information ◽

Quantitative Information ◽

Polymer Structure ◽

X Ray ◽

The Road ◽

Different Levels ◽

No Sample Preparation

Abstract In an effort to find out if compound composition could help explain the observed differences in “chip/chunk tearing” on worn off-the-road tires from two manufacturers, direct characterizations were made on tread lugs from the two tires. Two nondestructive direct analytical methods were used. They are photoacoustical Fourier transform infrared spectroscopy (PA-FTIR) and proton induced x-ray emission spectroscopy (PIXE). These techniques were also used to examine a variety of rubber compounding ingredients, such as polymers and fillers, and model tire compounds containing different levels of these ingredients. PA-FTIR requires essentially no sample preparation. It was successfully used to determine the polymer structure and to suggest the nonblack filler type in highly loaded carbon-black filled, sulfur-cured compounds and in tire sections. The characterization was based upon structural information derived from vibrational band frequencies. Elemental information was obtained by using direct PIXE spectral analysis of polymers, fillers, and two worn off-the-road tire tread lugs. Again, no sample preparation was needed and quantitative information was obtained on the elements present. Results show that the tire that did not display a tear problem was manufactured with a cushion (tread base) and a tread (cap), both containing silica at the 12–15 phr levels. The tire that had a visible chip/chunk problem was constructed with two layers of a very similar stock, but neither layer contains silica.

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Asymetrical Dimer - allyl-palladiu Complexes II. Data from Infrared Spectra and Chemical Behaviour

Revista de Chimie ◽

10.37358/rc.08.7.1888 ◽

2008 ◽

Vol 59 (7) ◽

Author(s):

Maria Maganu ◽

Filip Chiraleu ◽

Constantin Draghici ◽

Gheorghe Mihai

Keyword(s):

Carbon Monoxide ◽

Nmr Spectroscopy ◽

1H Nmr ◽

Infrared Spectra ◽

Analytical Methods ◽

1H Nmr Spectroscopy ◽

Chemical Behaviour ◽

The Asymmetry ◽

Pd Complexes

The previous data obtained by 1H-NMR spectroscopy established the existence of an asymmetry of the bond between Pd and p-allylic groups, even in the p-allyl-Pd complexes dimers which are considered usually symmetric dimers. The asymmetry of the bond depends by the substitutes of the allylic group. Other analytical methods were investigated for additional proof of the obtained results. Thus, this paper discusses how this asymmetry would be reflected in the infrared spectra and in the reaction of the complexes with carbon monoxide.

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14C AMS at Suerc: Improving QA Data with the 5MV Tandem and 250KV SSAMS

Radiocarbon ◽

10.1017/s003382220004529x ◽

2010 ◽

Vol 52 (2) ◽

pp. 263-271 ◽

Cited By ~ 27

Author(s):

P Naysmith ◽

G T Cook ◽

S P H T Freeman ◽

E M Scott ◽

R Anderson ◽

...

Keyword(s):

Quality Assurance ◽

Sample Preparation ◽

Mass Spectrometer ◽

Random Access ◽

Capacity Measurement ◽

Tandem Accelerator ◽

Standard Data ◽

Accelerator Mass Spectrometer ◽

On Line ◽

Automated Data Acquisition

In 2003, a National Electrostatics Corporation (NEC) 5MV tandem accelerator mass spectrometer was installed at SUERC, providing the radiocarbon laboratory with 14C measurements to 4–5‰ repeatability. In 2007, a 250kV single-stage accelerator mass spectrometer (SSAMS) was added to provide additional 14C capability and is now the preferred system for 14C analysis. Changes to the technology and to our operations are evident in our copious quality assurance data: typically, we now use the 134-position MC-SNICS source, which is filled to capacity. Measurement of standards shows that spectrometer running without the complication of on-line δ13C evaluation is a good operational compromise. Currently, 3‰ 14C/13C measurements are routinely achieved for samples up to nearly 3 half-lives old by consistent sample preparation and an automated data acquisition algorithm with sample random access for measurement repeats. Background and known-age standard data are presented for the period 2003–2008 for the 5MV system and 2007–2008 for the SSAMS, to demonstrate the improvements in data quality.

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Analysis of Synthetic Fibers by Diamond Cell and Sapphire Cell Infrared Spectrophotometry

Journal of AOAC INTERNATIONAL ◽

10.1093/jaoac/61.3.526 ◽

1978 ◽

Vol 61 (3) ◽

pp. 526-532

Author(s):

Leonard K Read ◽

Robert J Kopec

Keyword(s):

Sample Preparation ◽

Analytical Methods ◽

Nondestructive Method ◽

Spectrophotometric Analysis ◽

Infrared Spectrophotometry ◽

Generic Type ◽

Synthetic Fibers ◽

Fiber Sample

Abstract A rapid, simple, and nondestructive method of sample preparation and analysis is described for the infrared spectrophotometric analysis of synthetic fibers. This method uses a combined diamond cell and sapphire cell technique that yields highly resolved spectra with microgramsize fiber samples. From these highly resolved spectra, the generic type of fiber can be readily determined. Although the fiber sample has been physically crushed, it is not destroyed during the analysis and can be further examined by other analytical methods.

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Analytical methods and quality assurance

Communications in Soil Science and Plant Analysis ◽

10.1080/00103620009370554 ◽

2000 ◽

Vol 31 (11-14) ◽

pp. 1965-1972

Author(s):

Rodney Luciuk ◽

Gary E. Winkleman ◽

Mark Sluser ◽

Patrick A. Taylor ◽

Arnie M. Ens

Keyword(s):

Quality Assurance ◽

Analytical Methods

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Investigation of the structure of regulatory proteins interacting with glycosaminoglycans by combining NMR spectroscopy and molecular modeling – the beginning of a wonderful friendship

Biological Chemistry ◽

10.1515/hsz-2021-0119 ◽

2021 ◽

Vol 0 (0) ◽

Author(s):

Georg Künze ◽

Daniel Huster ◽

Sergey A. Samsonov

Keyword(s):

Nmr Spectroscopy ◽

Structural Information ◽

Md Simulations ◽

Specific Protein ◽

Regulatory Proteins ◽

Structural Constraints ◽

Modeling Tools ◽

Nuclear Overhauser ◽

Nmr Methods ◽

High Flexibility

Abstract The interaction of regulatory proteins with extracellular matrix or cell surface-anchored glycosaminoglycans (GAGs) plays important roles in molecular recognition, wound healing, growth, inflammation and many other processes. In spite of their high biological relevance, protein-GAG complexes are significantly underrepresented in structural databases because standard tools for structure determination experience difficulties in studying these complexes. Co-crystallization with subsequent X-ray analysis is hampered by the high flexibility of GAGs. NMR spectroscopy experiences difficulties related to the periodic nature of the GAGs and the sparse proton network between protein and GAG with distances that typically exceed the detection limit of nuclear Overhauser enhancement spectroscopy. In contrast, computer modeling tools have advanced over the last years delivering specific protein-GAG docking approaches successfully complemented with molecular dynamics (MD)-based analysis. Especially the combination of NMR spectroscopy in solution providing sparse structural constraints with molecular docking and MD simulations represents a useful synergy of forces to describe the structure of protein-GAG complexes. Here we review recent methodological progress in this field and bring up examples where the combination of new NMR methods along with cutting-edge modeling has yielded detailed structural information on complexes of highly relevant cytokines with GAGs.

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Analytical Methods for Determining Bioavailability and Bioaccessibility of Bioactive Compounds from Fruits and Vegetables: A Review

Comprehensive Reviews in Food Science and Food Safety ◽

10.1111/1541-4337.12049 ◽

2014 ◽

Vol 13 (2) ◽

pp. 155-171 ◽

Cited By ~ 257

Author(s):

Juana M. Carbonell-Capella ◽

Magdalena Buniowska ◽

Francisco J. Barba ◽

María J. Esteve ◽

Ana. Frígola

Keyword(s):

Bioactive Compounds ◽

Analytical Methods ◽

Fruits And Vegetables

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A Metabolomic Approach to Beer Characterization

Molecules ◽

10.3390/molecules26051472 ◽

2021 ◽

Vol 26 (5) ◽

pp. 1472

Author(s):

Nicola Cavallini ◽

Francesco Savorani ◽

Rasmus Bro ◽

Marina Cocchi

Keyword(s):

Nuclear Magnetic Resonance ◽

Nmr Spectroscopy ◽

Magnetic Resonance ◽

Analytical Methods ◽

Nmr Spectra ◽

Full Spectrum ◽

The Past ◽

Beer Consumption ◽

Metabolomic Approach ◽

Chemometric Tools

The consumers’ interest towards beer consumption has been on the rise during the past decade: new approaches and ingredients get tested, expanding the traditional recipe for brewing beer. As a consequence, the field of “beeromics” has also been constantly growing, as well as the demand for quick and exhaustive analytical methods. In this study, we propose a combination of nuclear magnetic resonance (NMR) spectroscopy and chemometrics to characterize beer. 1H-NMR spectra were collected and then analyzed using chemometric tools. An interval-based approach was applied to extract chemical features from the spectra to build a dataset of resolved relative concentrations. One aim of this work was to compare the results obtained using the full spectrum and the resolved approach: with a reasonable amount of time needed to obtain the resolved dataset, we show that the resolved information is comparable with the full spectrum information, but interpretability is greatly improved.

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