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  • MDPI AG  (13)
  • 1
    Online Resource
    Online Resource
    Construction of an MLR-QSAR Model Based on Dietary Flavonoids and Screening of Natural α-Glucosidase Inhibitors
    MDPI AG ; 2022
    In:  Foods Vol. 11, No. 24 ( 2022-12-14), p. 4046-
    Details
    In: Foods, MDPI AG, Vol. 11, No. 24 ( 2022-12-14), p. 4046-
    Abstract: Postprandial hyperglycemia can be reduced by inhibiting α-glucosidase activity. Common α-glucosidase inhibitors such as acarbose may have various side effects. Therefore, it is important to find natural products that are non-toxic and have high α-glucosidase-inhibitory activity. In the present study, a comprehensive computational analysis of 27 dietary flavonoid compounds with α-glucosidase-inhibitory activity was performed. These included flavonoids, flavanones, isoflavonoids, dihydrochalcone, flavan-3-ols, and anthocyanins. Firstly, molecular fingerprint similarity clustering analysis was performed on the target molecules. Secondly, multiple linear regression quantitative structure–activity relationship (MLR-QSAR) models of dietary flavonoids (2D descriptors and 3D descriptors optimized), with R2 of 0.927 and 0.934, respectively, were constructed using genetic algorithms. Finally, the MolNatSim tool based on the COCONUT database was used to match the similarity of each flavonoid in this study, and to sequentially perform molecular enrichment, similarity screening, and QSAR prediction. After screening, five kinds of natural product molecule (2-(3,5-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, norartocarpetin, 2-(2,5-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-chromen-4-one, and morelosin) were finally obtained. Their IC50pre values were 8.977, 31.949, 78.566, 87.87, and 94.136 µM, respectively. Pharmacokinetic predictions evaluated the properties of the new natural products, such as bioavailability and toxicity. Molecular docking analysis revealed the interaction of candidate novel natural flavonoid compounds with the amino acid residues of α-glucosidase. Molecular dynamics (MD) simulations and molecular mechanics/generalized Born surface area (MMGBSA) further validated the stability of these novel natural compounds bound to α-glucosidase. The present findings may provide new directions in the search for novel natural α-glucosidase inhibitors.
    Type of Medium: Online Resource
    ISSN: 2304-8158
    URL: Article
    DOI: 10.3390/foods11244046
    Language: English
    Publisher: MDPI AG
    Publication Date: 2022
    detail.hit.zdb_id: 2704223-6
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  • 2
    Online Resource
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    The In Vitro Anti-Tumor Activity of Phycocyanin against Non-Small Cell Lung Cancer Cells
    MDPI AG ; 2018
    In:  Marine Drugs Vol. 16, No. 6 ( 2018-05-23), p. 178-
    Details
    In: Marine Drugs, MDPI AG, Vol. 16, No. 6 ( 2018-05-23), p. 178-
    Type of Medium: Online Resource
    ISSN: 1660-3397
    URL: Article
    DOI: 10.3390/md16060178
    Language: English
    Publisher: MDPI AG
    Publication Date: 2018
    detail.hit.zdb_id: 2175190-0
    SSG: 15,3
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  • 3
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    Transcriptome Analysis of Phycocyanin-Mediated Inhibitory Functions on Non-Small Cell Lung Cancer A549 Cell Growth
    MDPI AG ; 2018
    In:  Marine Drugs Vol. 16, No. 12 ( 2018-12-15), p. 511-
    Details
    In: Marine Drugs, MDPI AG, Vol. 16, No. 12 ( 2018-12-15), p. 511-
    Abstract: Phycocyanin (PC), derived from cyanobacteria and Spirulina cells, is a type of natural antineoplastic marine protein. It has been reported that phycocyanin exerts an antitumor function in non-small cell lung cancer (NSCLC) cells, but the underlying mechanism has not been elucidated. In this research, a transcriptome study was performed to investigate the regulatory mechanisms of phycocyanin on human NSCLC A549 cells. The survival rate and proliferation ability of A549 cells were markedly reduced by phycocyanin, along with abnormal morphologic changes. The transcriptome analysis showed that 2970 genes were differentially expressed after phycocyanin treatment in A549 cells, including 1431 down-regulated and 1539 up-regulated genes. Gene ontology and KEGG analysis suggested that some classical pathways, such as Wnt, NF-κB, and PI3K-AKT signaling, were significantly enriched. Strikingly, protein–protein interaction (PPI) analysis showed that ubiquitin-C (UBC) occupied the highest degree (the highest number of interactions) in differential genes, indicating that it might play a key role in the phycocyanin-mediated regulatory process in A549 cells. Moreover, qRT-PCR results showed consistent expression trends of differential genes with transcriptome analysis. Consequently, this study has provided a theoretical basis for regulation of phycocyanin in A549 cells, which lays a foundation for the treatment of NSCLC.
    Type of Medium: Online Resource
    ISSN: 1660-3397
    URL: Article
    DOI: 10.3390/md16120511
    Language: English
    Publisher: MDPI AG
    Publication Date: 2018
    detail.hit.zdb_id: 2175190-0
    SSG: 15,3
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  • 4
    Online Resource
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    C-Phycocyanin Suppresses the In Vitro Proliferation and Migration of Non-Small-Cell Lung Cancer Cells through Reduction of RIPK1/NF-κB Activity
    MDPI AG ; 2019
    In:  Marine Drugs Vol. 17, No. 6 ( 2019-06-18), p. 362-
    Details
    In: Marine Drugs, MDPI AG, Vol. 17, No. 6 ( 2019-06-18), p. 362-
    Abstract: Phycocyanin, derived from Spirulina platensis, is a type of natural antineoplastic marine protein. It is known that phycocyanin exerts anticancer effects on non-small-cell lung cancer (NSCLC) cells, but its underlying mechanism has not been elucidated. Herein, the antitumor function and regulatory mechanism of phycocyanin were investigated in three NSCLC cell lines for the first time: H358, H1650, and LTEP-a2. Cell phenotype experiments suggested that phycocyanin could suppress the survival rate, proliferation, colony formation, and migration abilities, as well as induce apoptosis of NSCLC cells. Subsequently, transcriptome analysis revealed that receptor-interacting serine/threonine-protein kinase 1 (RIPK1) was significantly down-regulated by phycocyanin in the LTEP-a2 cell, which was further validated by qRT-PCR and Western blot analysis in two other cell lines. Interestingly, similar to phycocyanin-treated assays, siRNA knockdown of RIPK1 expression also resulted in growth and migration inhibition of NSCLC cells. Moreover, the activity of NF-κB signaling was also suppressed after silencing RIPK1 expression, indicating that phycocyanin exerted anti-proliferative and anti-migratory function through down-regulating RIPK1/NF-κB activity in NSCLC cells. This study proposes a mechanism of action for phycocyanin involving both NSCLC apoptosis and down regulation of NSCLC genes.
    Type of Medium: Online Resource
    ISSN: 1660-3397
    URL: Article
    DOI: 10.3390/md17060362
    Language: English
    Publisher: MDPI AG
    Publication Date: 2019
    detail.hit.zdb_id: 2175190-0
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  • 5
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    Review of Wind-Induced Effects Estimation through Nonlinear Analysis of Tall Buildings, High-Rise Structures, Flexible Bridges and Transmission Lines
    MDPI AG ; 2023
    In:  Buildings Vol. 13, No. 8 ( 2023-08-09), p. 2033-
    Details
    In: Buildings, MDPI AG, Vol. 13, No. 8 ( 2023-08-09), p. 2033-
    Abstract: The nonlinear effects exhibited by structures under the action of wind loads have gradually stepped into the vision of wind-resistant researchers. By summarizing the prominent wind-induced nonlinear problems of four types of wind-sensitive structures, namely tall buildings, high-rise structures, flexible bridges, and transmission lines, the occurrence mechanism of their nonlinear effects is revealed, providing cutting-edge research progress in theoretical studies, experimental methods and vibration control. Aerodynamic admittance provides insights into the aerodynamic nonlinearity (AN) between the wind pressure spectrum and wind speed spectrum of tall building surfaces. The equivalent nonlinear equation method is used to solve nonlinear vibration equations with generalized van-der-Pol-type aerodynamic damping terms. The elastic–plastic finite element method and multiscale modeling method are widely employed to analyze the effects of geometric nonlinearity (GN) and material nonlinearity (MN) at local nodes on the wind-induced response of latticed tall structures. The AN in blunt sections of bridges arises from the amplitude dependence of the aerodynamic derivative and the higher-order term of the self-excited force. Volterra series aerodynamic models are more suitable for the nonlinear aerodynamic modeling of bridges than the polynomial models studied more in the past. The improved Lindstedt–Poincare perturbation method, which considers the strong GN in the response of ice-covered transmission lines, offers high accuracy. The complex numerical calculations and nonlinear analyses involved in wind-induced nonlinear effects continue to consume significant computational resources and time, especially for complex wind field conditions and flexible and variable structural forms. It is necessary to further develop analytical, modeling and identification tools to facilitate the modeling of nonlinear features in the future.
    Type of Medium: Online Resource
    ISSN: 2075-5309
    URL: Article
    DOI: 10.3390/buildings13082033
    Language: English
    Publisher: MDPI AG
    Publication Date: 2023
    detail.hit.zdb_id: 2661539-3
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  • 6
    Online Resource
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    Forensic Analysis and Genetic Structure Construction of Chinese Chongming Island Han Based on Y Chromosome STRs and SNPs
    MDPI AG ; 2022
    In:  Genes Vol. 13, No. 8 ( 2022-07-29), p. 1363-
    Details
    In: Genes, MDPI AG, Vol. 13, No. 8 ( 2022-07-29), p. 1363-
    Abstract: Y-chromosome short tandem repeat (Y-STR) and Y-chromosome single nucleotide polymorphism (Y-SNP) are genetic markers on the male Y chromosome for individual identification, forensic applications, and paternal genetic history analysis. In this study we successfully genotyped 38 Y-STR loci and 24 Y-SNP loci of Pudong Han (n = 689) and Chongming Han (n = 530) in Shanghai. The haplotype diversity of the Y filer platinum genotyping system was the highest in the Han population in the Pudong area of Shanghai (0.99996) and Chongming Island (0.99997). The proportion of unique haplotypes was 97.10% (Pudong) and 98.49% (Chongming), respectively. The multidimensional scaling analysis and phylogenetic analysis were performed according to the genetic distance Rst, which was calculated based on the Y-STR gene frequency data. Moreover, we made a comparison on the frequency distribution analysis and principal component analysis of haplogroups in both populations. As a result, Shanghai Pudong Han, Chongming Island Han, and Jiangsu Han were determined to have a strong genetic affinity. The haplogroup distribution characteristics of the Pudong Han and Chongming Han populations were similar to those of the southern Han population. The results of haplotype network analysis showed that Jiangsu Wujiang Han and Jiangsu Changshu Han had more paternal genetic contributions to the formation of Shanghai Pudong Han and Chongming Island Han. Through the joint analysis of SNPs and STRs, this study deeply analyzed the paternal genetic structure of the Pudong Han and Chongming Han populations. The addition of Y-SNP haplogroups to forensic applications can provide information for pedigree investigation.
    Type of Medium: Online Resource
    ISSN: 2073-4425
    URL: Article
    DOI: 10.3390/genes13081363
    Language: English
    Publisher: MDPI AG
    Publication Date: 2022
    detail.hit.zdb_id: 2527218-4
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  • 7
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    Dihydrotanshinone I Inhibits the Lung Metastasis of Breast Cancer by Suppressing Neutrophil Extracellular Traps Formation
    MDPI AG ; 2022
    In:  International Journal of Molecular Sciences Vol. 23, No. 23 ( 2022-12-02), p. 15180-
    Details
    In: International Journal of Molecular Sciences, MDPI AG, Vol. 23, No. 23 ( 2022-12-02), p. 15180-
    Abstract: Breast cancer (BC) is a common female malignancy, worldwide. BC death is predominantly caused by lung metastasis. According to previous studies, Dihydrotanshinone I (DHT), a bioactive compound in Salvia miltiorrhiza Bunge (S. miltiorrhiza), has inhibitory effects on numerous cancers. Here, we investigated the anti-metastatic effect of DHT on BC, where DHT more strongly inhibited the growth of BC cells (MDA-MB-231, 4T1, MCF-7, and SKBR-3) than breast epithelial cells (MCF-10a). Additionally, DHT repressed the wound healing, invasion, and migration activities of 4T1 cells. In the 4T1 spontaneous metastasis model, DHT (20 mg/kg) blocked metastasis progression and distribution in the lung tissue by 74.9%. DHT reversed the formation of neutrophil extracellular traps (NETs) induced by phorbol 12-myristate 13-acetate, as well as ameliorated NETs-induced metastasis. Furthermore, it inhibited Ly6G+Mpo+ neutrophils infiltration and H3Cit expression in the lung tissues. RNA sequencing, western blot, and bioinformatical analysis indicated that TIMP1 could modulate DHT acting on lung metastasis inhibition. The study demonstrated a novel suppression mechanism of DHT on NETs formation to inhibit BC metastasis.
    Type of Medium: Online Resource
    ISSN: 1422-0067
    URL: Article
    DOI: 10.3390/ijms232315180
    Language: English
    Publisher: MDPI AG
    Publication Date: 2022
    detail.hit.zdb_id: 2019364-6
    SSG: 12
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  • 8
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    Continuous Glucose Monitoring in Hypoxic Environments Based on Water Splitting-Assisted Electrocatalysis
    MDPI AG ; 2023
    In:  Chemosensors Vol. 11, No. 2 ( 2023-02-18), p. 149-
    Details
    In: Chemosensors, MDPI AG, Vol. 11, No. 2 ( 2023-02-18), p. 149-
    Abstract: Conventional enzyme-based continuous glucose sensors in interstitial fluid usually rely on dissolved oxygen as the electron-transfer mediator to bring electrons from oxidase to electrode while generating hydrogen peroxide. This may lead to several problems. First, the sensor may provide biased detection results owing to fluctuation of oxygen in interstitial fluid. Second, the polymer coatings that regulate the glucose/oxygen ratio can affect the dynamic response of the sensor. Third, the glucose oxidation reaction continuously produces corrosive hydrogen peroxide, which may compromise the long-term stability of the sensor. Here, we introduce an oxygen-independent nonenzymatic glucose sensor based on water splitting-assisted electrocatalysis for continuous glucose monitoring. For the water splitting reaction (i.e., hydrogen evolution reaction), a negative pretreatment potential is applied to produce a localized alkaline condition at the surface of the working electrode for subsequent nonenzymatic electrocatalytic oxidation of glucose. The reaction process does not require the participation of oxygen; therefore, the problems caused by oxygen can be avoided. The nonenzymatic sensor exhibits acceptable sensitivity, reliability, and biocompatibility for continuous glucose monitoring in hypoxic environments, as shown by the in vitro and in vivo measurements. Therefore, we believe that it is a promising technique for continuous glucose monitoring, especially for clinically hypoxic patients.
    Type of Medium: Online Resource
    ISSN: 2227-9040
    URL: Article
    DOI: 10.3390/chemosensors11020149
    Language: English
    Publisher: MDPI AG
    Publication Date: 2023
    detail.hit.zdb_id: 2704218-2
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  • 9
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    Online Resource
    Wind-Induced Vibration Coefficient of Landscape Tower with Curved and Twisted Columns and Spiral Beams Based on Wind Tunnel Test Data
    MDPI AG ; 2022
    In:  Buildings Vol. 12, No. 10 ( 2022-10-09), p. 1635-
    Details
    In: Buildings, MDPI AG, Vol. 12, No. 10 ( 2022-10-09), p. 1635-
    Abstract: The complex aerodynamic shape and structural form affect the wind-induced vibration coefficient β of landscape towers with a twisted column and spiral beam (short for LTs). To clarify the β distribution characteristics, evaluate the applicability of existing load codes, and provide accurate design wind loads, wind tunnel tests and numerical simulations were carried out on a LT. The LT’s aerodynamic coefficients and wind-induced responses were measured using rigid sectional and aeroelastic models. Furthermore, the displacement wind-induced vibration coefficient βd and inertial load wind-induced vibration coefficient βi(z) of the LT were calculated from these measured data. Combined with test data and a finite element model, the impacts of the wind speed spectrum type, the structural damping ratio ξ, and the peak factor g on β of the LT are analyzed. The accuracy of β of the LT calculated by Chinese and American load codes was examined and given the correction method. The results showed that the wind yaw angle had a significant impact on βd of the LT, which cannot be neglected in current load codes. The abrupt mass increase at the platform location makes the distribution characteristics of βi(z) of the LT different from conventional high-rise structures. The values of ξ and g have a significant impact on the calculation results of β, which are the key to the accurate design wind loads of LTs. The existing load codes are not suitable for LTs, and the correction method proposed in this paper can be used to improve them.
    Type of Medium: Online Resource
    ISSN: 2075-5309
    URL: Article
    DOI: 10.3390/buildings12101635
    Language: English
    Publisher: MDPI AG
    Publication Date: 2022
    detail.hit.zdb_id: 2661539-3
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  • 10
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    Monascus Yellow Pigment Production by Coupled Immobilized-Cell Fermentation and Extractive Fermentation in Nonionic Surfactant Micelle Aqueous Solution
    MDPI AG ; 2023
    In:  Fermentation Vol. 9, No. 2 ( 2023-02-13), p. 168-
    Details
    In: Fermentation, MDPI AG, Vol. 9, No. 2 ( 2023-02-13), p. 168-
    Abstract: Microbial fermentation with immobilized cells possesses many advantages. However, this fermentation mode is restricted to the production of extracellular products. Our previous study demonstrated that the extractive fermentation of Monascus spp. in nonionic surfactant micelle aqueous solution can export Monascus pigments that are supposed to be mainly intracellular products to extracellular culture broth and, in the meantime, extracellularly enhance the production of yellow pigments at a low pH condition; consequently, this makes the continuous production of yellow pigments with immobilized Monascus cells feasible. In this study, immobilized-cell fermentation and extractive fermentation in Triton X-100 micelle aqueous solution were successfully combined to continuously produce Monascus yellow pigments extracellularly. We examined the effects of cell immobilization and Triton X-100 on cell growth, pigment production, and pigment composition. In the repeated-batch extractive fermentation with immobilized cells, the biomass in Ca-alginate gel beads continued to grow and reached 21.2 g/L after seven batches, and dominant yellow pigments were produced extracellularly and stable for each batch. The mean productivity of the extracellular yellow pigments reached up to 22.31 AU410 nm/day within the first four batches (13 days) and 19.7 AU410 nm/day within the first seven batches (25 days). The results also provide a new strategy for producing such intracellular products continuously and extracellularly.
    Type of Medium: Online Resource
    ISSN: 2311-5637
    URL: Article
    DOI: 10.3390/fermentation9020168
    Language: English
    Publisher: MDPI AG
    Publication Date: 2023
    detail.hit.zdb_id: 2813985-9
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