Smartphone video imaging: A versatile, low-cost technology for food authentication.

This study presents a low-cost smartphone-based imaging technique called smartphone video imaging (SVI) to capture short videos of samples that are illuminated by a colour-changing screen. Assisted by artificial intelligence, the study develops new capabilities to make SVI a versatile imaging technique such as the hyperspectral imaging (HSI). SVI enables classification of samples with heterogeneous contents, spatial representation of analyte contents and reconstruction of hyperspectral images from videos.

Nondestructive identification and classification of starch types based on multispectral techniques coupled with chemometrics.

Starch is the main source of energy and nutrition. Therefore, some merchants often illegally add cheaper starches to other types of starches or package cheaper starches as higher priced starches to raise the price. In this study, 159 samples of commercially available wheat starch, potato starch, corn starch and sweet potato starch were selected for the identification and classification based on multispectral techniques, including near-infrared (NIR), mid-infrared (MIR) and Raman spectroscopy combined with chemometrics, including pretreatment methods, characteristic wavelength selection methods and classification algorithms.

Comparative key aroma compounds and sensory correlations of aromatic coconut water varieties: Insights from GC × GC-O-TOF-MS, E-nose, and sensory analysis.

Aroma is a key criterion in evaluating aromatic coconut water. A comparison regarding key aroma compounds and sensory correlations was made between Thailand Aromatic Green Dwarf (THD) and Cocos nucifera L. cv.

Comprehensive adulteration detection of sesame oil based on characteristic markers.

Sesame oil has a unique flavor and is very popular in Asian countries, and this leads to frequent adulteration. In this study, comprehensive adulteration detection of sesame oil based on characteristic markers was developed. Initially, sixteen fatty acids, eight phytosterols, and four tocopherols were utilized to construct an adulteration detection model, which screened seven potentially adulterated samples.

Rapid Nondestructive Testing Technology-Based Biosensors for Food Analysis.

Food analysis plays a vital role in ensuring the safety and quality of food products [...

Antibacterial Mechanism of 3-Carene against the Meat Spoilage Bacterium and Its Application in Pork during Refrigerated Storage.

is the main bacterium responsible for meat spoilage and its control is of great significance. 3-Carene, a natural monoterpene, has been proved to possess antimicrobial activities. This study aimed to investigate the antibacterial activity and mechanism of 3-carene against the meat spoilage bacterium , and explore its application on pork.

Authentication of Geographical Origin in Hainan Partridge Tea () by Stable Isotope and Targeted Metabolomics Combined with Chemometrics.

Partridge tea ( (Miq.) Müll.Arg.

Hyperspectral imaging in combination with data fusion for rapid evaluation of tilapia fillet freshness.

The potential of two different hyperspectral imaging systems (visible near infrared spectroscopy (Vis-NIR) and NIR) was investigated to determine TVB-N contents in tilapia fillets during cold storage. With Vis-NIR and NIR data, calibration models were established between the average spectra of tilapia fillets in the hyperspectral image and their corresponding TVB-N contents and optimized with various variable selection and data fusion methods. Superior models were obtained with variable selection methods based on low-level fusion data when compared with the corresponding methods based on single data blocks.

Effect of drying treatment on the structural characterizations and physicochemical properties of starch from canistel (Lucuma nervosa A.DC).

This work investigated the effects of hot air drying pretreatment (HAD), freeze drying pretreatment (FD) and vacuum drying pretreatment (VD) on the physicochemical properties and structural characterizations of starch isolated from canistels. X-ray diffraction displayed that the starches separated from canistel by different drying pretreatments showed a typical A-type crystal structure. The SEM image showed that cracks and debris appeared on the surface of HVD and VD particles.

Comparative Metabolomic Analysis of under Different Cultivation Substrates.

, a precious herbal medicine, has been used for a long time in Chinese history. The metabolites of , regarded as its effective components to fight diseases, are significantly affected by cultivation substrates. In this study, ultra-performance liquid chromatography mass spectrometry (UPLC-MS/MS) was conducted to analyze stems cultured in three different substrates: pine bark (PB), coconut coir (CC), and a pine bark: coconut coir 1:1 mix (PC).

Characterization of Volatile Profiles and Marker Substances by HS-SPME/GC-MS during the Concentration of Coconut Jam.

Characteristic aromas are usually key labels for food products. In this study, the volatile profiles and marker substances of coconut jam during concentration were characterized via sensory evaluation combined with headspace solid phase microextraction-gas chromatography-tandem mass spectrometry (HSPME/GC-MS). A total of 33 aroma compounds were detected by HSPME/GC-MS.

Preparation and Characterization of Octenyl Succinate β-Cyclodextrin and Vitamin E Inclusion Complex and Its Application in Emulsion.

Vitamin E (VE) and β-cyclodextrin (β-CD) can form an inclusion complex; however, the inclusion rate is low because of the weak interaction between VE and β-CD. The results of a molecular docking study showed that the oxygen atom in the five-membered ring of octenyl succinic anhydride (OSA) formed a strong hydrogen bond interaction (1.89 Å) with the hydrogen atom in the hydroxyl group of C-6.

BioMedR: an R/CRAN package for integrated data analysis pipeline in biomedical study.

Background: With the increasing development of biotechnology and information technology, publicly available data in chemistry and biology are undergoing explosive growth. Such wealthy information in these resources needs to be extracted and then transformed to useful knowledge by various data mining methods. However, a main computational challenge is how to effectively represent or encode molecular objects under investigation such as chemicals, proteins, DNAs and even complicated interactions when data mining methods are employed.

Three-step hybrid strategy towards efficiently selecting variables in multivariate calibration of near-infrared spectra.

Variable (feature or wavelength) selection is a critical step in multivariate calibration of near-infrared (NIR) spectra. The high-resolution NIR or its imaging instruments usually generate hundreds or thousands of wavelengths, which make the variable selection methods tend to appear a high risk of overfitting, low efficiency, or requiring large computational abilities. Thus, it is a great challenge to efficiently select informative variables and obtain an optimal variable combination in a huge variable space.

A hybrid variable selection strategy based on continuous shrinkage of variable space in multivariate calibration.

When analyzing high-dimensional near-infrared (NIR) spectral datasets, variable selection is critical to improving models' predictive abilities. However, some methods have many limitations, such as a high risk of overfitting, time-intensiveness, or large computation demands, when dealing with a high number of variables. In this study, we propose a hybrid variable selection strategy based on the continuous shrinkage of variable space which is the core idea of variable combination population analysis (VCPA).

The model adaptive space shrinkage (MASS) approach: a new method for simultaneous variable selection and outlier detection based on model population analysis.

Variable selection and outlier detection are important processes in chemical modeling. Usually, they affect each other. Their performing orders also strongly affect the modeling results.

Simultaneous determination of neutral and uronic sugars based on UV-vis spectrometry combined with PLS.

A method using partial least squares (PLS) for simultaneous determination of neutral and uronic sugars was developed in this paper. This method is based on the development of the reaction between the analytes and anthrone. The calibration set was built with 25 binary solutions at the concentrations ranging from 20 to 100μg/mL for glucose and from 10 to 50μg/mL for glucuronic acid.

Variable importance analysis based on rank aggregation with applications in metabolomics for biomarker discovery.

Biomarker discovery is one important goal in metabolomics, which is typically modeled as selecting the most discriminating metabolites for classification and often referred to as variable importance analysis or variable selection. Until now, a number of variable importance analysis methods to discover biomarkers in the metabolomics studies have been proposed. However, different methods are mostly likely to generate different variable ranking results due to their different principles.

A bootstrapping soft shrinkage approach for variable selection in chemical modeling.

In this study, a new variable selection method called bootstrapping soft shrinkage (BOSS) method is developed. It is derived from the idea of weighted bootstrap sampling (WBS) and model population analysis (MPA). The weights of variables are determined based on the absolute values of regression coefficients.

ChemDes: an integrated web-based platform for molecular descriptor and fingerprint computation.

Background: Molecular descriptors and fingerprints have been routinely used in QSAR/SAR analysis, virtual drug screening, compound search/ranking, drug ADME/T prediction and other drug discovery processes. Since the calculation of such quantitative representations of molecules may require substantial computational skills and efforts, several tools have been previously developed to make an attempt to ease the process. However, there are still several hurdles for users to overcome to fully harness the power of these tools.