Theoretical exploration of the phenolic compounds' inhibition mechanism of heterocyclic aromatic amines in roasted beef patties by density functional theory.

The ability of spices (bay leaf, star anise, and red pepper) and their characteristic phenolic compounds (quercetin, kaempferol, and capsaicin) to inhibit Heterocyclic aromatic amines (HAAs) in roasted beef patties were compared. Density functional theory (DFT) was used to reveal phenolic compounds interacting with HAAs-related intermediates and free radicals to explore possible inhibitory mechanisms for HAAs. 3 % red chili and 0.03 % capsaicin reduced the total HAAs content by 57.09 % and 68.79 %, respectively. DFT demonstrated that this was due to the stronger interaction between capsaicin and the ß-carboline HAAs intermediate (Ebind = -32.95 kcal/mol). The interaction between quercetin and phenylacetaldehyde was found to be the strongest (Ebind = -17.47 kcal/mol). Additionally, DFT indicated that capsaicin reduced the carbonyl content by transferring hydrogen atoms (HAT) to eliminate HO·, HOO·, and carbon-centered alkyl radicals. This study provided a reference for the development of DFT in the control of HAAs.

High performance liquid chromatography (HPLC) based genetic diversity profiling of chilli germplasm for fruit pungency and phytochemical contents.

Chilli peppers are widely consumed for their pungency, as used in flavoring the food and has many pharmaceutical and medicinal properties. Based on these properties an experiment was held using 83 varieties of chilli (Hot pepper and sweet pepper) were grown in suitable environment using Augment Block design and evaluated for fruit pungency and phytochemical contents using high proficiency liquid chromatography. Analysis of variance (ANOVA) of traits showed highly significant for all traits except for fruit length and capsaicin contents. The value of Least significant increase (LSI)was ranged 0.27-1289.9 for all traits showed high variation among varieties. Highly significant correlation was found among fruit diameter to fruit weight 0.98, while moderate to high correlation was present among all traits. The most pungent genotype 24,634 was 4.8 g in weight, while the least pungent genotypes i.e. PPE-311 (32.8 g), green wonder (40.67) had higher in weight. The genotypes 24,627, 32,344, 32,368 and 1108 marked as higher number of seeds in their placental region. It was observed that chilli genotype 24,621 had maximum length with considerable high amount of pungency act as novel cultivar. Principal component analysis (PCA) showed the high variability of 46.97 for two PCs with the eigen value 2.6 and 1.63 was recorded. Biplot analysis showed a considerable variability for fruit pungency, while huge variability was found for all traits among given varieties. PPE-311, T5 and T3 are found as highly divergent for all traits. The findings of this study are instrumental for selecting parents to improve desirable traits in future chilli pepper breeding programs. It will help plant/vegetable breeders for development of highly nutrient and pungent varieties and attractive for the consumer of food sector.

Identification, structure elucidation, and isomer differentiation of phenolic compounds of Chinese pepper cultivars by UPLC-ESI-Q-TOF-MS and their antioxidant activity.

A total of 43 compounds, including phenolic acids, flavonoids, lignans, and diterpene, were identified and characterized using UPLC-ESI-Q-TOF-MS coupled with UNIFI software. The identified flavonoids were mostly isomers of luteolin, apigenin, and quercetin, which were elucidated and distinguished for the first time in pepper cultivars. The use of multivariate data analytics for sample discrimination revealed that luteolin derivatives played the most important role in differentiating pepper cultivars. The content of phenolic acids and flavonoids in immature green peppers was generally higher than that of mature red peppers. The pepper extracts possessed significant antioxidant activities, and the antioxidant activities correlated well with phenolic contents and their molecular structure. In conclusion, the findings expand our understanding of the phytochemical components of the Chinese pepper genotype at two maturity stages. Moreover, a UPLC-ESI-Q-TOF-MS in negative ionization mode rapid methods for characterization and isomers differentiation was described.

Investigation of the formation mechanism of the pepper starch-piperine complex.

In this study, a new carrier for loading piperine was prepared using pepper starch, and its interaction mechanism was investigated. The porous pepper starch-piperine complex (PPS-PIP) showed higher loading efficiency (76.15 %) compared to the porous corn starch-piperine complex (PCS-PIP (52.34 %)). This may be ascribed to the hemispherical shell structure of porous pepper starch (PPS) compared to the porous structure of porous corn starch (PCS) based on the SEM result. PPS-PIP had smaller particle size (10.53 µm), higher relative crystallinity (38.95 %), and better thermal stability (87.45 °C) than PCS-PIP (17.37 µm, 32.17 %, 74.35 °C). Fourier transform infrared spectroscopy (FTIR) results implied that piperine not only forms a complex with amylose but may also be physically present in porous starch. This was demonstrated by the short-range order and X-ray type. Molecular dynamics simulations confirmed that hydrogen bonding is the primary interaction between amylose and piperine. Besides the formation of the amylose-piperine complex, some of the piperine is also present in physical form.

Characterization of carboxylated cellulose nanofibrils and oligosaccharides from Kraft pulp fibers and their potential elicitor effect on the gene expression of Capsicum annuum.

Biomass-derived oligo- and polysaccharides may act as elicitors, i.e., bioactive molecules that trigger plant immune responses. This is particularly important to increase the resistance of plants to abiotic and biotic stresses. In this study, cellulose nanofibrils (CNF) gels were obtained by TEMPO-mediated oxidation of unbleached and bleached kraft pulps. The molecular structures were characterized with ESI and MALDI MS. Analysis of the fine sequences was achieved by MS and MS/MS of the water-soluble oligosaccharides obtained by acid hydrolysis of the CNF gels. The analysis revealed the presence of two families: one corresponding to homoglucuronic acid sequences and the other composed by alternating glucose and glucuronic acid units. The CNF gels, alone or with the addition of the water-soluble oligosaccharides, were tested on Chili pepper (Capsicum annuum). Based on the characterization of the gene expression with Next Generation Sequencing (NGS) of the C. annuum's total messenger RNA, the differences in growth of the C. annuum seeds correlated well with the downregulation of the pathways regulating photosynthesis. A downregulation of the response to abiotic factors was detected, suggesting that these gels would improve the resistance of the C. annuum plants to abiotic stress due to, e.g., water deprivation and cold temperatures.

Microstructural and physicochemical quality maintenance in green bell pepper infected with Botrytis cinerea and treated with thyme essential oil combined with carnauba wax.

Bell pepper presents rapid weight loss and is highly susceptible to gray mold caused by the fungus Botrytis cinerea. The most employed method to control this disease is the application of synthetic fungicides such as thiabendazole (TBZ); however, its continued use causes resistance in fungi as well as environmental problems. For these reasons, natural alternatives arise as a more striking option. Currently, bell pepper fruits are coated with carnauba wax (CW) to prevent weight loss and improve appearance. Moreover, CW can be used as a carrier to incorporate essential oils, and previous studies have shown that thyme essential oil (TEO) is highly effective against B. cinerea. Therefore, this study aimed to evaluate the effect of CW combined with TEO on the development of gray mold and maintenance of microestructural and postharvest quality in bell pepper stored at 13°C. The minimal inhibitory concentration of TEO was 0.5%. TEO and TBZ provoked the leakage of intracellular components. TEO and CW + TEO treatments were equally effective to inhibit the development of gray mold. On the quality parameters, firmness and weight loss were ameliorated with CW and CW + TEO treatments; whereas lightness increased in these treatments. The structural analysis showed that CW + TEO treatment maintained the cell structure reducing the apparition of deformities. The results suggest that CW + TEO treatment could be used as a natural and effective antifungal retarding the appearance of gray mold and maintaining the postharvest quality of bell pepper. PRACTICAL APPLICATION: CW and TEO are classified as generally recognized as safe (GRAS) by the US Food and Drug Administration (FDA). This combination can be employed on the bell pepper packaging system to extend shelf life and oppose gray mold developments. Bell pepper fruits are normally coated with lipid-base coatings such as CW before commercialization; therefore, TEO addition would represent a small investment without any changes on the packaging system infrastructure.

Smartphone-based digital image colorimetry for the determination of total capsaicinoid content in chili pepper extracts.

A simple smartphone-based digital image colorimetry was proposed for the determination of total capsaicinoid content and the assessment of chili pepper pungency. The biobased solvent D-limonene was used for the first time to isolate analytes. Capsaicinoids were efficiently separated from chili pepper by solid-liquid extraction with D-limonene followed by partitioning of the analytes into the ammonium hydroxide solution to eliminate the matrix interference effect. For colorimetric detection of total capsaicinoid content, a selective chromogenic reaction was performed using Gibbs reagent (2,6-dichloroquinone-4-chloroimide). Measurements were performed using a smartphone-based setup and included image analysis with the program ImageJ. The limit of detection of the proposed procedure was 0.15 mg g-1. The intra-day repeatability did not exceed 10.0 %. The inter-day repeatability was less than 16.5 %. The comparison of the smartphone-based procedure with high-performance liquid chromatography showed satisfactory results.

Effects of capsaicin loads on the properties of capsicum leaf protein-based nanocellulose composite films.

This study aims to enhance the functionality of conventional protein-based nanocellulose composite films (PNCF) to meet the high demand for natural antimicrobial packaging films. Capsicum leaf protein (CLP) and cellulose nanocrystals (CNCs) extracted from capsicum leaves were used as raw materials. Capsaicin, an essential antibacterial active ingredient in the capsicum plant, was used as an additive. The influence of different capsaicin loads on PNCF physicochemical and material properties was investigated under alkaline conditions. The results show that all film-forming liquids (FFLs) are non-Newtonian fluids with shear thinning behavior. When the capsaicin loading exceeds 20 %, the surface microstructure of PNCF changes from dense lamellar to rod-like. Capsaicin did not alter the PNCF crystal structure, thermal stability or chemical bonding. Capsaicin can be loaded onto the PNCF surface by intermolecular hydrogen bonding reactions with CLP and CNC, preserving capsaicin's biological activity. With increasing capsaicin loads from 0 % to 50 %, the mechanical and hydrophobic properties of PNCF decreased, whereas the diameter of the inhibition zone increased. All PNCFs have UV-blocking properties with potential applications in developing biodegradable food packaging materials. The results of this study provide a theoretical basis for the high-value utilization of capsicum cultivation waste and the preparation of novel PNCF.

Evaluation of ED-XRF for the detection of inorganic adulterants in turmeric, paprika and oregano.

Herbs and spices are known to be prone to food fraud and accurate analytical tools are needed to detect adulterants. Amongst the potential adulteration, dilution with bulking agents has regularly been reported, especially with inorganic materials such as talc or brick powder. Energy Dispersive X-Ray Fluorescence (ED-XRF) spectrometry is a well-established non-destructive analytical technique for qualitative and quantitative elemental analysis of a wide variety of samples. ED-XRF was here evaluated for the detection of inorganic adulterants in turmeric, paprika and oregano, which were selected as representative for the herbs & spices food category. Magnesium, silicon, and calcium were identified as elements to detect talc, soapstone, brick/clay powder, and chalk inorganic adulterants. ED-XRF successfully detected adulterated samples when spiked down to 5% (w/w) in the selected herbs and spices. With its ease-of-use and speed, ED-XRF is well adapted for the monitoring of inorganic adulteration of herbs and spices along the supply chain.

Polyvinyl alcohol/kappa-carrageenan-based package film with simultaneous incorporation of ferric ion and polyphenols from Capsicum annuum leaves for fruit shelf-life extension.

Bio-based food packaging materials have elicited growing interests due to their great degradability, high safety and active biofunctions. In this work, by simultaneously introducing the polyphenolic extracts from Capsicum annuum leaves and ferric ion (Fe3+) into the Polyvinyl alcohol/kappa-carrageenan (PVA/κ-carrageenan)-based film-forming matrix, an active package film was developed, with the purpose to improve the food shelf life. The experimental results indicated that the existence of Fe3+ can not only improve the mechanical properties owing to the multiple dynamic coordinated interactions, but also endow the composite films with excellent fire-retardancy. Moreover, the composite films could display excellent UV resistant performance, water vapor/oxygen gas barrier properties and antioxidant activities with the corporation of polyphenols. In particular, the highest DPPH and ABTS radical scavenging capacities for composite film (PC-PLP7 sample) were evaluated to be 82.5 % and 91.1 %, respectively. Higher polyphenol concentration is favorable to the bio-functions of the materials. Benefitting from these features, this novel kind of films with a dense and steady micro-structure could be further applicated in fruit preservations, where the ripening bananas were ensured with the high storage quality. This integration as a prospective food packaging material provides an economic and eco-friendly approach to excavate the high added-values of biomass.

A Capsicum annuum L. seed extract exerts anti-neuroexcitotoxicity in HT22 hippocampal neurons.

The hippocampal memory deficit stands out as a primary symptom in neurodegenerative diseases, including Alzheimer's disease. While numerous therapeutic candidates have been proposed, they primarily serve to delay disease progression. Given the irreversible brain atrophy or injury associated with these conditions, current research efforts are concentrated on preventive medicine strategies. Herein, we investigated whether the extracts of Capsicum annuum L. seeds (CSE) and Capsicum annuum L. pulp (CPE) have preventive properties against glutamate-induced neuroexcitotoxicity (one of the main causes of Alzheimer's disease) in HT22 hippocampal neuronal cells. Pretreatment with CSE demonstrated significant anti-neuroexcitotoxic activity, whereas CPE did not exhibit such effects. Specifically, CSE pretreatment dose-dependently inhibited the elevation of excitotoxic elements (intracellular calcium influx and reactive oxygen species; ROS) and apoptotic elements (p53 and cleaved caspase-3). In addition, the glutamate-induced alterations of neuronal activity indicators (brain-derived neurotrophic factor; BDNF and cAMP response element-binding protein phosphorylation; CREB) were significantly attenuated by CSE treatment. We also found that luteolin is the main bioactive compound corresponding to the anti-neuroexcitotoxic effects of CSE. Our results strongly suggest that Capsicum annuum L. seeds (but not its pulp) could be candidates for neuro-protective resources especially under conditions of neuroexcitotoxicity. Its underlying mechanisms may involve the amelioration of ROS-mediated cell death and BDNF-related neuronal inactivity and luteolin would be an active compound.

Exploring the chemical diversity of Capsicum chinense cultivars using NMR-based metabolomics and machine learning methods.

The habanero pepper (Capsicum chinense) is a prominent spicy fruit integral to the historical, social, cultural, and economic fabric of the Yucatan peninsula in Mexico. This study leverages the power of 1H NMR spectroscopy coupled with machine learning algorithms to dissect the metabolomic profile of eleven C. chinense cultivars, including those grown by INIFAP (Habanero-Jaguar, Antillano-HRA 1-1, Antillano-HRA 7-1, Habanero-HAm-18A, Habanero-HC-23C, and Jolokia-NJolokia-22) and commercial hybrids (Habanero-Rey Votán, Habanero-Kabal, Balam, USAPR10117, and Rey Pakal). A total of fifty metabolites, encompassing sugars, amino acids, short-chain organic acids, and nucleosides, were identified from the 1H NMR spectra. The optimized machine learning model proficiently predicted the similarity percentage between the INIFAP-grown cultivars and commercial hybrids, thereby facilitating a comprehensive comparison. Biomarkers unique to each cultivar were delineated, revealing that the Habanero-Rey Votán cultivar is characterized by the highest concentration of sugars. In contrast, the Balam cultivar is rich in amino acids and short-chain organic acids, sharing a similar metabolomic profile with the Jolokia-NJolokia-22 cultivar. The findings of this study underscore the efficacy and reliability of NMR-based metabolomics as a robust tool for differentiating C. chinense cultivars based on their intricate chemical profiles. This approach not only contributes to the scientific understanding of the metabolomic diversity among habanero peppers but also holds potential implications for food science, agriculture, and the culinary arts.

Alterations of rumen and fecal microbiome in growing beef and dairy steers fed rumen-protected Capsicum oleoresin.

The microbiome has been linked to animal health and productivity, and thus, modulating animal microbiomes is becoming of increasing interest. Antimicrobial growth promoters (AGP) were once a common technology used to modulate the microbiome, but regulation and consumer pressure have decreased AGP use in food animals. One alternative to antimicrobial growth promoters are phytotherapeutics, compounds derived from plants. Capsaicin is a compound from the Capsicum genus, which includes chili peppers. Capsaicin has antimicrobial properties and could be used to manipulate the gastrointestinal microbiome of cattle. Both the rumen and fecal microbiomes are essential to cattle health and production, and modulation of either microbiome can affect both cattle health and productivity. We hypothesized that the addition of rumen-protected capsaicin to the diet of cattle would alter the composition of the fecal microbiome, but not the rumen microbiome. To determine the impact of rumen-protected capsaicin in cattle, four Holstein and four Angus steers were fed rumen-protected Capsicum oleoresin at 0 (Control), 5, 10, or 15 mg kg-1 diet dry matter. Cattle were fed in treatment groups in a 4 × 4 Latin Square design with a 21-d adaptation phase and a 7-d sample collection phase. Rumen samples were collected on day 22 at 0-, 2-, 6-, 12-, and 18-h post-feeding, and fecal swabs were collected on the last day of sample collection, day 28, within 1 h of feeding. Sequencing data of the 16s rRNA gene was analyzed using the dada2 pipeline and taxa were assigned using the SILVA database. No differences were observed in alpha diversity among fecal or rumen samples for either breed (P > 0.08) and no difference between groups was detected for either breed in rumen samples or for Angus steers in fecal samples (P > 0.42). There was a difference in beta diversity between treatments in fecal samples of Holstein steers (P < 0.01), however, a pairwise comparison of the treatment groups suggests no difference between treatments after adjusting for multiple comparisons. Therefore, we were unable to observe substantial overall variation in the rumen or fecal microbiomes of steers due to increasing concentrations of rumen-protected capsaicin. We do, however, see a trend toward increased concentrations of capsaicin influencing the fecal microbiome structure of Holstein steers despite this lack of significance.

The microbiome is the collection of microbes present in an animal's body and has been discovered to be directly connected to animal health and productivity. In production animals, such as feedlot cattle, the microbiome can be modulated by antimicrobials to promote growth, but increasing consumer pressure to reduce antimicrobial use has producers seeking alternatives. Capsaicin is a phytotherapeutic derived from chili peppers that can be used to modulate the microbiome due to its antimicrobial properties. Eight steers were fed rumen-protected Capsicum oleoresin to determine its effect on average daily gain. In addition, rumen and fecal samples were collected for microbiome testing. No differences were detected in the rumen microbiomes between cattle fed capsaicin (treatment) or those that received no capsaicin (control). While no overall effect was observed on the fecal microbiome of cattle fed different doses of capsaicin or control, we did observe changes in fecal beta diversity due to capsaicin treatment in Holstein steers fed greater doses. The fecal microbiome structure of Holsteins fed greater dosages of capsaicin differed from those fed control or low doses, as observed by the presence of two distinct clusters. This observation suggests an impact of greater doses of capsaicin treatment on microbiome structure.

Residue estimation and dietary risk assessment of fenvalerate, novaluron, and profenofos in bell pepper grown under protected and open field conditions.

Residue studies were conducted in bell pepper crops (green and yellow bell pepper) to ensure the safe use of fenvalerate, profenofos, and novaluron (under open field and protected conditions) in randomized block design (RBD) following three applications at a 10-day interval over two consecutive years, 2021 and 2022. A robust analytical method was developed using quick, easy, cheap, effective, rugged, and safe (QuEChERS) extraction and gas chromatography-tandem mass spectrometry (GC-MS/MS) for the determination of pesticide residues in bell pepper samples. The half-lives for fenvalerate were 2.47-2.87 and 2.50-3.03 days on bell pepper under open field conditions, whereas the corresponding values for bell pepper under protected conditions were 3.84-4.58 and 4.17-4.71 days, during 2021 and 2022, respectively. Profenofos displayed half-lives of 2.03-2.65 and 2.15-2.77 days in open field conditions and 3.05-3.89 and 3.16-3.78 days in protected conditions during 2021 and 2022, respectively. Similarly, novaluron had half-lives of 2.87-3.49 and 3.24-3.75 days under protected conditions in 2021 and 2022, respectively. The maximum residue limits (MRLs) were calculated to be 0.6 mg/kg for fenvalerate, while for profenofos it was 0.7 mg/kg on bell pepper under open field conditions at double doses, at the proposed pre-harvest interval (PHI) of 3 days. Likewise, for bell peppers grown under protected conditions, MRLs at the PHI of 3 days were determined to be 0.8 mg/kg for fenvalerate, 0.3 mg/kg for novaluron, and 1.5 mg/kg for profenofos. A dietary risk assessment study indicated that the percentage of acute hazard index (% aHI) was significantly lower than 100, and hazard quotient (HQ) values were below 1, signifying no acute or chronic risk to consumers. These findings underscore the safety of consuming bell peppers treated with fenvalerate, profenofos, and novaluron under the protected and open field conditions.

Evaluation of Food Intake Biomarkers for Red Bell Peppers in Human Urine Based on HPLC-MS/MS Analysis.

SCOPE: The validation of dietary biomarkers is essential for the use in objective and quantitative assessment of the human dietary intake. In this study, the urinary excretion of previously identified potential biomarkers after intake of red bell peppers is analyzed. METHODS AND RESULTS: The urine samples obtained after a two-phase dietary intervention study in which 14 volunteers participated are quantitatively analyzed by high-performance liquid chromatography with tandem mass spectrometry (HPLC-MS/MS) after an extensive validation. In the first phase, the volunteers abstain completely from bell peppers and paprika products (control group) and in the second phase, the volunteers consume a defined amount of fresh red bell peppers (case group). After analysis, all potential biomarkers show high dispersions of their concentration, indicating interindividual differences. The glucuronidated apocarotenoid (compound 1), which probably resulted from the main carotenoids of red Capsicum fruits, shows a rapid urinary excretion. The other glucuronidated metabolites (compounds 2-8), described as potential derivatives of capsianosides from Capsicum, show a slightly delayed but longer urinary excretion. CONCLUSIONS: A correlation between an intake of red bell pepper and the urinary excretion of recently described potential biomarkers is observed. Due to large interindividual differences, it is reasonable to assume that at least the qualitative detection of the consumption of bell peppers and possibly all Capsicum fruits is feasible.

Polysaccharides and Phenolic Compounds Recovered from Red Bell Pepper, Tomato and Basil By-Products Using a Green Extraction by Extractor Timatic®.

Fruits and vegetables processing produces significant amounts of by-products rich in valuable bioactive compounds such as polyphenols and dietary fiber. Food by-product re-use promotes the eco-sustainability of several crops. This study aimed to apply green extractions of bioactive compounds from by-products of basil, tomato, and red bell pepper production. Tests were performed by applying extraction procedures both at laboratory scale and using the Timatic® extractor. Water and ethanol 10% and 20% were used for extraction of red bell pepper and tomato, testing different temperatures (30, 50, and 90 °C; water at 90 °C and ethanol 20% were applied for basil. The obtained phenolic extracts were analyzed by HPLC-DAD-MS. Polysaccharides of tomato and red bell pepper were extracted at laboratory scale and chemically characterized using 1H-NMR to define the methylation and acylation degree, and DLS to estimate the hydrodynamic volume. Laboratory extraction tests allowed efficient scaling-up of the process on the Timatic® extractor. Phenolic content in the dried extracts (DE) ranged 8.0-11.2 mg/g for tomato and red bell pepper and reached 240 mg/g for basil extracts. Polysaccharide yields (w/w on DM) reached 6.0 and 10.4% for dried tomato and red bell pepper, respectively. Dry extracts obtained using the Timatic® extractor and water can be useful sources of bioactive phenols. The study provided new data on tomato and red bell pepper polysaccharides that may be useful for future applications.

Determination of multiclass contaminants in chilli powder based on magnetic multiwalled carbon nanotubes and UPLC-QTOF/MS.

A multiclass analysis approach was developed using magnetic multiwalled carbon nanotubes sorbents and ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-QTOF/MS) for the rapid screening and simultaneous determination of 216 contaminants including 15 mycotoxins, 9 synthetic colourants, and 192 pesticides in chilli powder. The sample preparation process was optimized. The optimal preparation procedure utilized NaCl and NaAc as the salting-out agents, and Fe3O4-MWCNTs as the sorbents, resulting in reduced chemical consumption, improved cleaning performance, and facilitated high-throughput analysis. The proposed method was validated, and satisfactory parameters were obtained. Approximately 85.6% of the target analytes exhibited a weak matrix effect, with the matrix effects falling within the range of 0.8 âˆ¼ 1.2. The method demonstrated acceptable recoveries of the analytes, falling within the range of 62.14%∼119.76% at three fortified levels with relative standard deviations (RSDs) of less than 20%. Additionally, the method's limit of quantification (LOQ) ranged from ranged from 0.50 µg·kg-1 to 49.56 µg·kg-1. The method was further applied for analysis of 27 chilli powder samples, demonstrating its potential for screening and quantification of multiclass contaminants for spices.

Phenolic Compounds and Capsaicinoids in Three Capsicum annuum Varieties: From Analytical Characterization to In Silico Hypotheses on Biological Activity.

The affinity of specific phenolic compounds (PCs) and capsaicinoids (CAPs) present in three Capsicum annuum varieties (Friariello, Cayenne and Dzuljunska Sipka) to the transient receptor potential vanilloid member 1 (TRPV1) was investigated by integrating an analytic approach for the simultaneous extraction and analysis through high-performance liquid chromatography coupled with ion trap mass spectrometry (HPLC/ITMS) and UV detection (HPLC-UV) of PCs and CAPs and structural bioinformatics based on the protein modelling and molecular simulations of protein-ligand docking. Overall, a total of 35 compounds were identified in the different samples and CAPs were quantified. The highest content of total polyphenols was recorded in the pungent Dzuljunska Sipka variety (8.91 ± 0.05 gGAE/Kg DW) while the lowest was found in the non-pungent variety Friariello (3.58 ± 0.02 gGAE/Kg DW). Protein modelling generated for the first time a complete model of the homotetrameric human TRPV1, and it was used for docking simulations with the compounds detected via the analytic approach, as well as with other compounds, as an inhibitor reference. The simulations indicate that different capsaicinoids can interact with the receptor, providing details on the molecular interaction, with similar predicted binding energy values. These results offer new insights into the interaction of capsaicinoids with TRPV1 and their possible actions.

Dissipation kinetics, decontamination, consumer risk assessment and monitoring of flonicamid and imidacloprid residues in capsicum under open field and polyhouse condition.

Liquid chromatography mass spectrometry (LC-MS)-based detection of flonicamid, imidacloprid and 6-chloronicotinic acid residues was validated and analysed in capsicum fruit, processed products and soil. The standard concentrations (0.0025 to 0.25 µg mL-1) of insecticides had a good linear curve (r2>0.99). Limit of detection and limit of quantification values were 0.0025 and 0.01 mg kg-1, respectively. The accuracy (80.53 to 100.33 %) of capsicum matrices and soil (89.41 to 100.52 %) and precision (RSD <10%) were established. Dissipation of imidacloprid (20 and 40 g a.i. ha-1) and flonicamid (75 and 150 g a.i. ha-1) at single (X) and double dose (2X) was studied under open field and polyhouse conditions. Under open field conditions, the flonicamid and imidacloprid residues persisted with half-life of 1.98, 2.90 days (X) and 2.80, 3.14 (2X) days, respectively. While under polyhouse conditions, the flonicamid and imidacloprid residues persisted with a half-life of 2.84, 3.66 (X) and 3.24, 3.97 (2X) days, respectively. The metabolite, 6-CNA, was not detected in any samples under open field and polyhouse condition. Among decontamination treatments, cooking in boiling water for 10 minutes reduced 78 to 81.60 percent of imidacloprid and flonicamid residues in both doses. The estimated dietary risk assessment of imidacloprid and flonicamid residues (RQ <1) indicated that the risk is within the acceptable limit. In farmgate capsicum samples, residues of flonicamid (7 samples) and imidacloprid (11 samples) were detected. Market samples of capsicum products (powder, flakes and sauce) were not detected with residues of selected insecticides.

Evaluation of convolutional neural network for non-destructive detection of imidacloprid and acetamiprid residues in chili pepper (Capsicum frutescens L.) based on visible near-infrared spectroscopy.

Consumption of agricultural products with pesticide residue is risky and can negatively affect health. This study proposed a nondestructive method of detecting pesticide residues in chili pepper based on the combination of visible and near-infrared (VIS/NIR) spectroscopy (400-2498 nm) and deep learning modeling. The obtained spectra of chili peppers with two types of pesticide residues (acetamiprid and imidacloprid) were analyzed using a one-dimensional convolutional neural network (1D-CNN). Compared with the commonly used partial least squares regression model, the 1D-CNN approach yielded higher prediction accuracy, with a root mean square error of calibration of 0.23 and 0.28 mg/kg and a root mean square error of prediction of 0.55 and 0.49 mg/kg for the acetamiprid and imidacloprid data sets, respectively. Overall, the results indicate that the combination of the 1D-CNN model and VIS/NIR spectroscopy is a promising nondestructive method of identifying pesticide residues in chili pepper.