Novel Umami Peptides from Mushroom (Agaricus bisporus) and Their Umami Enhancing Effect via Virtual Screening and Molecular Simulation.

This study aimed to identify novel umami peptides in Agaricus bisporus and investigate their umami enhancing effect. We virtually screened 155 potential umami peptides from the ultrasound-assisted A. bisporus hydrolysate according to Q values, iUmami-SCM, Umami_YYDS, and Tastepeptides_DM models, and molecular docking. Five peptides (AGKNTNGSQF, DEAVARGATF, REESDFQSSF, SEETTTGVHH, and WNNDAFQSSTN) were synthesized for sensory evaluation and kinetic analysis. The result showed that the umami thresholds of the five peptides were in the range of 0.21-0.40 mmol/L. Notably, REESDFQSSF, SEETTTGVHH, and WNNDAFQSSTN had low dissociation constant (KD) values and high affinity for the T1R1-VFT receptor. The enhancing effect of the three peptides with MSG or IMP was investigated by sensory evaluation, kinetic analysis, and molecular dynamics simulations. In stable complexes, ARG_277 in T1R1 played a major role in umami peptide binding to T1R1-VFT. These results provide a theoretical basis for future screening of umami peptides and improving the umami taste of food containing mushrooms.

An androgenetic alopecia remedy based on marine collagen peptide-incorporated dissolving microneedles.

Given that current androgenetic alopecia (AGA) medications have adverse effects such as sexual dysfunction and drug dependence, researchers are actively exploring natural bioactive ingredients and innovative approaches (e.g., transdermal drug delivery systems) to effectively combat hair loss with minimal side effects. Herein, we develop a new transdermal drug delivery system incorporating globefish skin collagen peptides with dissolving microneedles (GSCPs-MNs) for hair regrowth. These microneedles generate skin micro-wounds upon application, which not only improves the efficiency of bioactive ingredients delivery, but also stimulates signals involved in hair follicle (HF) regeneration. Our in vivo study shows that minimally invasive implanted GSCPs-MNs are more effective than topical GSCPs in reducing inflammation and promoting collagen formation. Additionally, the upregulation of vascular markers including VEGF and CD31 alongside the downregulation of TNF-α, IL-1ß, and malondialdehyde (MDA) index indicate that GSCPs-MNs can significantly alleviate inflammation and oxidation, as well as promoting vascularization and HF functionalization. Overall, our findings suggest that GSCPs-MNs can effectively promote hair regrowth in AGA mice, which offer excellent prospects for the development of new therapeutics and cosmetic supplements for hair loss, along with the combined drug delivery optimization, which could alleviate hair loss in patients with AGA.

Direct Identification and Quantitation of Protein Peptide Powders Based on Multi-Molecular Infrared Spectroscopy and Multivariate Data Fusion.

Given that protein peptide powders (PPPs) from different biological sources were inherited with diverse healthcare functions, which aroused adulteration of PPPs. A high-throughput and rapid methodology, united multi-molecular infrared (MM-IR) spectroscopy with data fusion, could determine the types and component content of PPPs from seven sources as examples. The chemical fingerprints of PPPs were thoroughly interpreted by tri-step infrared (IR) spectroscopy, and the defined spectral fingerprint region of protein peptide, total sugar, and fat was 3600-950 cm-1, which constituted MIR finger-print region. Moreover, the mid-level data fusion model was of great applicability in qualitative analysis, in which the F1-score reached 1 and the total accuracy was 100%, and a robust quantitative model was established with excellent predictive capacity (Rp: 0.9935, RMSEP: 1.288, and RPD: 7.97). MM-IR coordinated data fusion strategies to achieve high-throughput, multi-dimensional analysis of PPPs with better accuracy and robustness which meant a significant potential for the comprehensive analysis of other powders in food as well.

Innovative Approaches and Advances for Hair Follicle Regeneration.

Pathological hair loss (also known as alopecia) and shortage of hair follicle (HF) donors have posed an urgent requirement for HF regeneration. With the revelation of mechanisms in tissue engineering, the proliferation of HFs in vitro has achieved more promising trust for the treatments of alopecia and other skin impairments. Theoretically, HF organoids have great potential to develop into native HFs and attachments such as sweat glands after transplantation. However, since the rich extracellular matrix (ECM) deficiency, the induction characteristics of skin-derived cells gradually fade away along with their trichogenic capacity after continuous cell passaging in vitro. Therefore, ECM-mimicking support is an essential prelude before HF transplantation is implemented. This review summarizes the status of providing various epidermal and dermal cells with a three-dimensional (3D) scaffold to support the cell homeostasis and better mimic in vivo environments for the sake of HF regeneration. HF-relevant cells including dermal papilla cells (DPCs), hair follicle stem cells (HFSCs), and mesenchymal stem cells (MSCs) are able to be induced to form HF organoids in the vitro culture system. The niche microenvironment simulated by different forms of biomaterial scaffold can offer the cells a network of ordered growth environment to alleviate inductivity loss and promote the expression of functional proteins. The scaffolds often play the role of ECM substrates and bring about epithelial-mesenchymal interaction (EMI) through coculture to ensure the functional preservation of HF cells during in vitro passage. Functional HF organoids can be formed either before or after transplantation into the dermis layer. Here, we review and emphasize the importance of 3D culture in HF regeneration in vitro. Finally, the latest progress in treatment trials and critical analysis of the properties and benefits of different emerging biomaterials for HF regeneration along with the main challenges and prospects of HF regenerative approaches are discussed.

Small Peptides Isolated from Enzymatic Hydrolyzate of Pneumatophorus japonicus Bone Promote Sleep by Regulating Circadian Rhythms.

Due to the high addiction and side effects of medicines, people have increasingly inclined to natural and healthy peptides to improve sleep. Herein, we isolated novel peptides with sleep-promoting ability from Pneumatophorus japonicus bone peptides (PBPs) and constructed an insomniac zebrafish model as a demonstration, incorporating behavioral and transcriptomic approaches to reveal the sleep-promoting effect and mechanism of PBPs. Specifically, a sequential targeting isolation approach was developed to refine and identify a peptide with remarkable sleep-promoting activity, namely TG7 (Tyr-Gly-Asn-Pro-Trp-Glu-Lys). TG7 shows comparable effects and a similar action pathway to melatonin in improving sleep. TG7 restores abnormal behavior of insomnia zebrafish to normal levels by upregulating the hnrnpa3 gene. The peptide downregulates per1b gene but upregulates cry1b, cry1ba and per2, improving the circadian rhythm. Furthermore, TG7 upregulates the genes gnb3b, arr3b and opn1mw1 to regulate the visual function. The above results indicate that TG7 improves circadian rhythms and attenuated abnormal alterations in visual function and motility induced by light, allowing for effective sleep promotion. This study isolated sleep-promoting peptides from PBPs, which provides a theoretical basis for the development of subsequent sleep-promoting products based on protein peptides.

Application of functionalized chitosan in food: A review.

Environmental and sustainability issues have received increasing attention in recent years. As a natural biopolymer, chitosan has been developed as a sustainable alternative to traditional chemicals such as food preservation, food processing, food packaging, and food additives due to its abundant functional groups and excellent biological functions. This review analyzes and summarizes the unique properties of chitosan, with a particular focus on the mechanism of action for its antibacterial and antioxidant properties. This provides a lot of information for the preparation and application of chitosan-based antibacterial and antioxidant composites. In addition, chitosan is modified by physical, chemical and biological modifications to obtain a variety of functionalized chitosan-based materials. The modification not only improves the physicochemical properties of chitosan, but also enables it to have different functions and effects, showing promising applications in multifunctional fields such as food processing, food packaging, and food ingredients. In the current review, applications, challenges, and future perspectives of functionalized chitosan in food will be discussed.

Simultaneous Identification and Species Differentiation of Major Allergen Tropomyosin in Crustacean and Shellfish by Infrared Spectroscopic Chemometrics.

To solve the lack of rapid and accurate methods for allergen identification and traceability, an infrared spectroscopic chemometric analytical model (IR-CAM) was established by combining infrared spectroscopy with principal component and cluster analysis. By comparing the second derivative infrared (SD-IR) spectra of 5 proteins and 14 crustaceans and shellfish tropomyosin (TM), 8 shared peaks and unique fingerprint peaks in the amide III region were found for crabs, shrimps, and shellfish. Based on the unique fingerprint peaks coexisting with shared peaks, allergen TM in crustaceans and shellfish could be identified within 10 min (cf. ELISA âˆ¼ 4 h). Concurrently, the species differentiation of TM at the Class/Family level was achieved based on IR-CAM. Validation by fermented aquatic products TM (n = 60) demonstrated that the developed IR-CAM could simultaneously identify and differentiate TM in crustaceans and shellfish accurately. It could be applied for allergen detection and traceability of aquatic products on an antibody-free basis.

Effects of temperature fluctuations on non-volatile taste compounds in tilapia fillets (Oreochromis niloticus).

In this study, the effect of temperature fluctuations on the taste quality of tilapia fillets during frozen storage was investigated. Major temperature-responsive factors included free amino acids (FAAs) and flavor nucleotides in fish fillets, which were identified using multidimensional infrared spectroscopy (MM-IR). The main FAA in tilapia fillets is a sweet amino acid (glycine). Compared with the control group, the umami FAAs and sweetness FAAs were significantly increased, and the total FAAs content increased to 1.30 times after the ninth fluctuation, reaching the highest level (611.16 ± 73.60 mg/100 g). Considering the equivalent umami intensity values, adenosine monophosphate and inosine monophosphate were retained during the first and second temperature fluctuations. In addition, the content of Na+, K+, and Ca2+ decreased (P < 0.05). Therefore, MM-IR is an effective method to identify taste components. With regard to taste quality, temperature fluctuations in the twofold range have an umami-enhancing effect.

Effects of Salt and Homogenization Processing on the Gastrointestinal Fate of Micro/Nano-Sized Colloidal Particles in Bigeye Tuna (Thunnus obesusis) Head Soup: In vitro Digestion Study.

The effects of condiment (salt) and processing technic (homogenization) on digestion and interfacial properties of micro/nano-sized colloidal particles (MNCPs) in bigeye tuna head soup (BTHS) using simulated gastrointestinal digestion model in vitro were investigated. For MNCPs in BTHS, the triglycerides were wrapped with proteins in the form of a ring. After salting, the average particle size of the MNCPs in salted BTHS (SBTHS) decreased compared with BTHS. However, the partial demulsification phenomenon existed, and part of the protein was encapsulated in some MNCPs. After further homogenization, the average particle size of the MNCPs in homogenous SBTHS (HSBTHS) was further decreased based on SBTHS and the MNCP was rearranged, which changed the original membrane structure. After gastrointestinal digestion, adding salt decreased the release of total fatty acids compared with unsalted. But homogenization processing increased the release of total fatty acids in HSBTHS and there was no significant difference (p ≥ 0.05) between HSBTHS and BTHS. Thus, the decrease in the release of some fatty acids due to adding salt was compensated by homogenization. Therefore, the changes in composition and microstructure of MNCPs induced by salt and homogenization might contribute to the digestion difference of MNCPs.

Development of a bifunctional edible coating for formaldehyde scavenging and preservation of aquatic products.

BACKGROUND: Although exogenous and endogenous formaldehyde in squid has led to severe health threat, an in-depth study on natural edible scavengers for formaldehyde in squid is still lacking. RESULTS: Response surface methodology (RSM) combined with experimental verification approaches was applied to obtain an optimal 'recipe' to achieve formaldehyde removal rate of >85%: 6 mg mL-1 tea polyphenols, 20 mg mL-1 chitosan, 3:2 (v/v) tea polyphenols and chitosan, a pH value of 3 and 60 min treatment time. Apart from the capability of removing formaldehyde, the scavenger derived from natural food exhibited a significant preservation effect (extension of preservation time up to 40%) on squid during chilled storage, and was safe and environmentally friendly. Meanwhile, a synergetic effect of the two components on scavenging formaldehyde was unraveled by multimolecular infrared spectroscopy. CONCLUSION: An edible and bifunctional reagent composed of tea polyphenols and chitosan was developed for simultaneously removing artificially added or endogenous formaldehyde and for preservation of squid. The bifunctional coating shows promise as a formaldehyde scavenger and green preservative for aquatic products. © 2021 Society of Chemical Industry.

Taste compounds generation and variation of broth in pork meat braised processing by chemical analysis and an electronic tongue system.

The aim was to unveil the generation and variation rule of the main taste components in braised broth for 10 quantitative repeated braising cycles. The major taste compounds of three groups (MS, broth cooked with meat and spices; M, broth cooked with meat; and S, broth cooked with spices) were systematically analyzed by the state-of-art chromatography and electronic sensory technology. As braising cycles progressed, contents of free 5'-nucleotides and amino acids were increased in MS and M, while those nucleotides were not detected in S. A significant discrimination of taste in MS and M was revealed by electronic tongue evaluation during the process. As the formation rates (FR) of taste compounds and the transformation rates (TR) of taste compounds to volatile compounds were mainly accounting for the generation and variation of flavor in broth, a hypothesis was proposed to illustrate the whole variation of taste compounds in the process integrally that the ratio of FR/TR dividing the process into three stages, Degradation, Balance, and Accumulation. PRACTICAL APPLICATIONS: The traditional braising process and formula are empirical and extensive, which impede the increase in meat products output. Nowadays, the industry of braising products is facing a problem of standardization and quality control, and needs to carry out scientific and quantitative process improvement efficiently. Therefore, the developed comprehensive approach demonstrates great potential for braised meat broth flavor monitoring and quality control in an objective and holistic manner. It provides data support and new ideas of technology development for quality control in the process of meat braising.

Direct authentication and composition quantitation of red wines based on Tri-step infrared spectroscopy and multivariate data fusion.

A robust data fusion strategy integrating Tri-step infrared spectroscopy (IR) with electronic nose (E-nose) was established for rapid qualitative authentication and quantitative evaluation of red wines using Cabernet Sauvignon as an example. The chemical fingerprints of four types of wines were thoroughly interpreted by Tri-step IR, and the defined spectral fingerprint region of alcohol and sugar was 1200-950 cm-1. The wine types were authenticated by IR-based principal component analysis (PCA). Furthermore, ten quantitative models by partial least squares (PLS) were built to evaluate alcohol and total sugar contents. In particular, the model based on the fusion datasets of spectral fingerprint region and E-nose was superior to the others, in which RMSEP reduced by 47.95% (alcohol) and 79.90% (total sugar), rp increased by 11.95% and 43.47%, and RPD >3.0. The developed methodology would be applicable for mass screening and rapid multi-chemical-component quantification of wines in a more comprehensive and efficient manner.

Direct qualitative and quantitative determination methodology for massive screening of DON in wheat flour based on multi-molecular infrared spectroscopy (MM-IR) with 2T-2DCOS.

Deoxynivalenol (DON) contamination in wheat flour induces a number of adverse health effects to consumers and livestock, even at very low concentrations. Direct detection methods for massive screening of DON in wheat flour is still lacking. A new methodology integrating multi-molecular infrared spectroscopy (MM-IR) with two-trace two-dimensional correlation spectroscopy (2T-2DCOS) was developed for in-situ qualitative and quantitative determination of DON in wheat flour as a whole. Typical spectral variation of wheat flour samples with diverse concentration of DON were stepwise characterized by MM-IR and tiny spectral profile differences resulting from concentration variation of DON were visually disclosed by 2T-2DCOS. Based on the obtained key spectral features of DON, 180 of wheat flour samples with DON higher and lower than 1.00 mg/kg were undoubtedly classified by Principal Component Analysis (PCA) and Support Vector Machines (SVM) with an accuracy rate up to 100% (for Second derivative spectra consisted of selected bands, SD-SS). Furthermore, a robust quantitative prediction model was established based on partial least squares (PLS) of SD-SS (Rc: 0.998, RMSEC: 0.135; Rp: 0.968, RMSEP: 0.421), and its excellent predictive capacity of model was validated by both residual prediction deviation (RPD) value of 3.2 and t-test. It was demonstrated that the developed methodology was applicable for screening and quantitative detection of DON in wheat flour based on the novel correlation analysis methods (SD-2DCOS-IR and 2T-2DCOS-IR) with chemometrics tools, which could be utilized both at laboratory and industrial level for quality control purposes of a large wheat flour sample set.

Direct identification and quantitation of fluorescent whitening agent in wheat flour based on multi-molecular infrared (MM-IR) spectroscopy and stereomicroscopy.

Fluorescent brighteners, illegally used to whitening wheat flour, are detrimental to people health. The aim was to establish a rapid and direct method to identify and quantify fluorescent whitening agent OB-1 (FWA OB-1) in wheat flour by using multi-molecular infrared (MM-IR) spectroscopy combined with stereomicroscopy. Characteristic peak profile of FWA OB-1 used as a judgment basis was spatially revealed by stereomicroscopy with group-peak matching of MM-IR at 1614 cm-1, 1501 cm-1 and 893 cm-1 and were further unveiled by the second derivative infrared spectroscopy (SD-IR) and its two-dimensional correlation infrared (SD-2DCOS IR) spectroscopy for higher resolution, and were validated by high-performance liquid chromatography (HPLC). Moreover, a quantitative prediction model based on IR spectra was established by partial least squares 1 (PLS1) (R2, 98.361; SEE, 5.032; SEP, 5.581). The developed method was applicable for rapid and direct analysis of FWA OB-1 (low to 10 ppm) in flour with relative standard deviation (RSD) of 5%. The capabilities of MM-IR with spectral qualitative and quantitative analysis would be applicable to direct identification and quantitation of fluorescent whitening agents or other IR-active compounds in powder objects.

A novel method based on infrared spectroscopic inception-resnet networks for the detection of the major fish allergen parvalbumin.

We have developed a novel approach that involves inception-resnet network (IRN) modeling based on infrared spectroscopy (IR) for rapid and specific detection of the fish allergen parvalbumin. SDS-PAGE and ELISA were used to validate the new method. Through training and learning with parvalbumin IR spectra from 16 fish species, IRN, support vector machine (SVM), and random forest (RF) models were successfully established and compared. The IRN model extracted highly representative features from the IR spectra, leading to high accuracy in recognizing parvalbumin (up to 97.3%) in a variety of seafood matrices. The proposed infrared spectroscopic IRN (IR-IRN) method was rapid (~20 min, cf. ELISA ~4 h) and required minimal expert knowledge for application. Thus, it could be extended for large-scale field screening and identification of parvalbumin or other potential allergens in complex food matrices.

Micro-nano particle formation and transformation mechanisms of broth in meat braised processing.

The formation and transformation mechanisms of micro-nano particles (MNPs) in broth during meat braising were systematically investigated through a sophisticated controlled process. Dynamic changes in the morphology, composition and spatial distribution of MNPs were comprehensively characterized, and subsequently the mechanisms were visually uncovered from microcosmic-spatial perspectives. MNPs formed as circular-shape colloidal systems with an aggrandizing tendency for particle number and size and gradually stabilize eventually. Specifically, the major MNPs gradually increased the size from <400 nm to ~1500 nm and accumulated triglycerides and glycoconjugates resulting from lipid oxidation, Maillard reaction, etc. Continuous formation of MNPs in broth progressively facilitated the spatial coalescence and self-assembly of free substances driven by intermolecular interactions, and consequently principal nutrients and flavor compounds further accumulated in the MNPs by the braising process. Hence, this work not only revealed the MNP formation and transformation mechanisms but offered a foundation for investigating MNP-dependent effect on broth flavor.

Simultaneous detection of trace adulterants in food based on multi-molecular infrared (MM-IR) spectroscopy.

Simultaneously rapid detection of trace adulterants in the complex systems of food without extraction is considered highly challenging. Herein, a high-throughput and rapid methodology, multi-molecular infrared (MM-IR) spectroscopy was developed for simultaneous detection of multiple trace adulterants in food. Flour was applied to demonstrate the capabilities of MM-IR with spatial resolution, spectral qualitative and quantitative analysis. Signals of 5 trace adulterants (rongalit, potassium bromate, borax, aluminum potassium sulfate and fluorescent brighter) were spatially revealed by IR hyperspectral imaging with group-peak matching, and further unveiled spectrally with second derivative two dimensional correlation infrared (SD-2DCOS IR) spectroscopy for higher resolution. Moreover, quantitative analysis of trace adulterants was conducted with partial least squares (PLS) modeling in ppm level. Composed of the above techniques and a series of resolution enhancement techniques (MW-2DCOS IR, 2T-2DCOS IR, etc.), MM-IR presented significant advantages on simultaneous detection of trace adulterants in food and therefore possessed the potential for food comprehensive analysis.

Brackish water improves the taste quality in meat of adult male Eriocheir sinensis during the postharvest temporary rearing.

We investigated the effect of temporary rearing in brackish water on the taste quality in meat of crab cooked. The main salinity-responsive factors included 5'-nucleotides and free amino acids (FAAs) in crab meat that were identified using tri-step infrared spectroscopy. Compared to the fresh water group, the contents of 5'-adenosine monophosphate and 5'-inosine monophosphate in the brackish water group significantly increased in the 2nd week and decreased in the 6th week, respectively. The contribution ratio of umami FAAs increased from 8.1 to 13.5% in the 4th week in the brackish water group, showing maximum value of equivalent umami concentration. Moreover, Ca2+ and Cl- contents significantly increased in the 4th and 6th weeks, respectively (P < 0.05). Infrared spectroscopy was an effective method to identify the taste components. With respect to the taste quality, four weeks were determined as the best period for temporary rearing of the crab in brackish water.

The Current Application of LC-MS/MS in Pharmacokinetics of Traditional Chinese Medicines (Recent Three Years): A Systematic Review.

BACKGROUND: With significant clinical effects, traditional Chinese medicine (TCM) has been attracting increasing interest of the world's scientific community. However, TCM contains immense amounts of chemical components. It is a great challenge to objectively evaluate the correlation between the in vivo process and the therapeutic effect of TCM. The purpose of this systematic review was to summarize the recent investigation (from 2017 to 2019) on preclinical pharmacokinetics (PK) of TCM via liquid chromatography coupled with mass spectrometry (LC-MS/MS). METHODS: We reviewed the published articles regarding the PK of TCM by LC-MS/MS. In addition, we summarized information on PK parameter of bioactive components, single herb and traditional Chinese medicine prescriptions. RESULTS: The vast majority of literature on preclinical PK of TCM uses single oral administration, the biological matrix is mostly rat plasma, and the main PK parameters include AUC, Cmax, Tmax and T1/2, etc. Conclusion: Although LC-MS/MS can be used for high-throughput analysis, the characterization of in vivo processes of TCM still has a long way. With the advantages of high sensitivity, high specificity and simple operation, the increasingly mature LC-MS/MS technology will play an important role in the PK study of TCM.

Pharmacokinetic Comparisons of Different Combinations of Yigan Jiangzhi Formula in Rats: Simultaneous Determination of Fourteen Components by UPLC-MS/MS.

A rapid, specific, and sensitive analysis for simultaneous determination of fourteen components (daidzein, fermononetin, apigenin, luteolin, puerarin, ononin, calycosin-7-O-ß-D-glucoside, tanshinol, rosmarinic acid, alkanoic acid, salvianolic acid B, berberine, jatrorrhizin, and palmatine) of Yigan Jiangzhi formula (YGJZF, a clinical experienced formula for damp-heat syndrome) in rat plasma was developed and validated using ultraperformance liquid chromatography coupled with mass spectrometry. Lower limit of quantitation ranged from 0.2-10.0 ng/mL, and the calibration curves showed good linearity over 500 times of measuring range. The validated method was successfully applied to the pharmacokinetics investigation of the fourteen compounds in rat plasma after oral administration of two different doses of YGJZF. Compared with the low-dose group of YGJZF, the high-dose group showed significant increase (P < 0.01 or P < 0.05) in maximum plasma concentration, maximum concentration time, and area under the plasma concentration-time curve and decrease (P < 0.01 or P < 0.05) in clearance of most of the fourteen analytes, which suggested that the bioavailability of these components could be enhanced by increasing dosage. The above results may provide useful information for cognizing the relationship between in vitro and in vivo data of the fourteen bioactive ingredients of YGJZF and further guiding rational clinical drug prescription.