Molecules

14 pages, 2703 KiB

Open AccessArticle

Tetrabromobisphenol Exposure Impairs Bovine Oocyte Maturation by Inducing Mitochondrial Dysfunction

by Jing Guo, Chang-Guo Min, Kai-Yan Zhang, Cheng-Lin Zhan, Yu-Chan Wang, Sheng-Kui Hou, Xin Ma and Wen-Fa Lu

Molecules 2022, 27(22), 8111; https://doi.org/10.3390/molecules27228111 - 21 Nov 2022

Cited by 9 | Viewed by 2182

Abstract

Tetrabromobisphenol (TBBPA) is the most widely used brominated flame retardant in the world and displays toxicity to humans and animals. However, few studies have focused on its impact on oocyte maturation. Here, TBBPA was added to the culture medium of bovine cumulus–oocyte complexes [...] Read more.

Tetrabromobisphenol (TBBPA) is the most widely used brominated flame retardant in the world and displays toxicity to humans and animals. However, few studies have focused on its impact on oocyte maturation. Here, TBBPA was added to the culture medium of bovine cumulus–oocyte complexes (COCs) to examine its effect on oocytes. We found that TBBPA exposure displayed an adverse influence on oocyte maturation and subsequent embryonic development. The results of this study showed that TBBPA exposure induced oocyte meiotic failure by disturbing the polar-body extrusion of oocytes and the expansion of cumulus cells. We further found that TBBPA exposure led to defective spindle assembly and chromosome alignment. Meanwhile, TBBPA induced oxidative stress and early apoptosis by mediating the expression of superoxide dismutase 2 (SOD2). TBBPA exposure also caused mitochondrial dysfunction, displaying a decrease in mitochondrial membrane potential, mitochondrial content, mtDNA copy number, and ATP levels, which are regulated by the expression of pyruvate dehydrogenase kinase 3 (PDK3). In addition, the developmental competence of oocytes and the quality of blastocysts were also reduced after TBBPA treatment. These results demonstrated that TBBPA exposure impaired oocyte maturation and developmental competence by disrupting both nuclear and cytoplasmic maturation of the oocyte, which might have been caused by oxidative stress induced by mitochondrial dysfunction. Full article

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19 pages, 1915 KiB

Open AccessFeature PaperArticle

Impact of Sample Pretreatment and Extraction Methods on the Bioactive Compounds of Sugar Beet (Beta vulgaris L.) Leaves

by Peyman Ebrahimi, Dasha Mihaylova, Christine Mayr Marangon, Luca Grigoletto and Anna Lante

Molecules 2022, 27(22), 8110; https://doi.org/10.3390/molecules27228110 - 21 Nov 2022

Cited by 14 | Viewed by 3736

Abstract

To find the most optimal green valorization process of food by-products, sugar beet (Beta vulgaris L.) leaves (SBLs) were freeze-dried and ground with/without liquid nitrogen (LN), as a simple sample pretreatment method, before ultrasound-assisted extraction (UAE) of polyphenols. First, the water activity, [...] Read more.

To find the most optimal green valorization process of food by-products, sugar beet (Beta vulgaris L.) leaves (SBLs) were freeze-dried and ground with/without liquid nitrogen (LN), as a simple sample pretreatment method, before ultrasound-assisted extraction (UAE) of polyphenols. First, the water activity, proximate composition, amino acid (AA) and fatty acid (FA) profiles, and polyphenol oxidase (PPO) activity of dried and fresh SBLs were evaluated. Then, conventional extraction (CE) and UAE of polyphenols from SBLs using water/EtOH:water 14:6 (v/v) as extracting solvents were performed to determine the individual and combined effects of the sample preparation method and UAE. In all the freeze-dried samples, the specific activity of PPO decreased significantly (p ≤ 0.05). Freeze-drying significantly increased (p ≤ 0.05) the fiber and essential FA contents of SBLs. The FA profile of SBLs revealed that they are rich sources of oleic, linoleic, and α-linolenic acids. Although freeze-drying changed the contents of most AAs insignificantly, lysine increased significantly from 7.06 ± 0.46% to 8.32 ± 0.38%. The aqueous UAE of the freeze-dried samples without LN pretreatment yielded the most optimal total phenolic content (TPC) (69.44 ± 0.15 mg gallic acid equivalent/g dry matter (mg GAE/g DM)) and excellent antioxidant activities. Thus, combining freeze-drying with the aqueous UAE method could be proposed as a sustainable strategy for extracting bioactive compounds from food by-products. Full article

(This article belongs to the Special Issue Bioactive Compounds and Antioxidant Activity of Extracts from Different Natural Plants)

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17 pages, 8483 KiB

Open AccessArticle

Antitumor Activity and Mechanism of Action of the Antimicrobial Peptide AMP-17 on Human Leukemia K562 Cells

by Zhuqing Tian, Longbing Yang, Mingjiao Huang, Chaoqin Sun, Mingming Chen, Wenjing Zhao, Jian Peng and Guo Guo

Molecules 2022, 27(22), 8109; https://doi.org/10.3390/molecules27228109 - 21 Nov 2022

Cited by 4 | Viewed by 2297

Abstract

Cancer is one of the most common malignant diseases in the world. Hence, there is an urgent need to search for novel drugs with antitumor activity against cancer cells. AMP-17, a natural antimicrobial peptide derived from Musca domestica, has antimicrobial activity against [...] Read more.

Cancer is one of the most common malignant diseases in the world. Hence, there is an urgent need to search for novel drugs with antitumor activity against cancer cells. AMP-17, a natural antimicrobial peptide derived from Musca domestica, has antimicrobial activity against Gram-positive bacteria, Gram-negative bacteria, and fungi. However, its antitumor activity and potential mechanism of action in cancer cells remain unclear. In this study, we focused on evaluating the in vitro antitumor activity and mechanism of AMP-17 on leukemic K562 cells. The results showed that AMP-17 exhibited anti-proliferative activity on K562 cells with an IC₅₀ value of 58.91 ± 3.57 μg/mL. The membrane integrity of K562 was disrupted and membrane permeability was increased after AMP-17 action. Further observation using SEM and TEM images showed that the cell structure of AMP-17-treated cells was disrupted, with depressions and pore-like breaks on the cell surface, and vacuolated vesicles in the cytoplasm. Furthermore, further mechanistic studies indicated that AMP-17 induced excessive production of reactive oxygen species and calcium ions release in K562 cells, which led to disturbance of mitochondrial membrane potential and blocked ATP synthesis, followed by activation of Caspase-3 to induce apoptosis. In conclusion, these results suggest that the antitumor activity of AMP-17 may be achieved by disrupting cell structure and inducing apoptosis. Therefore, AMP-17 is expected to be a novel potential agent candidate for leukemia treatment. Full article

(This article belongs to the Special Issue Antimicrobial Peptides 2022)

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11 pages, 2016 KiB

Open AccessArticle

Control Efficacy of Salicylic Acid Microcapsules against Postharvest Blue Mold in Apple Fruit

by Yifei Wang, Jiahao Chen, Wenyi Bian, Xiaobo Yang, Lin Ye, Shoukui He and Xiaoqiu Song

Molecules 2022, 27(22), 8108; https://doi.org/10.3390/molecules27228108 - 21 Nov 2022

Cited by 9 | Viewed by 2128

Abstract

Salicylic acid (SA) is a natural inducer of disease resistance in fruit, but its application in the food industry is limited due to low water solubility. Here, SA was encapsulated in β-cyclodextrin (β-CD) via the host–guest inclusion complexation method, and the efficacy of [...] Read more.

Salicylic acid (SA) is a natural inducer of disease resistance in fruit, but its application in the food industry is limited due to low water solubility. Here, SA was encapsulated in β-cyclodextrin (β-CD) via the host–guest inclusion complexation method, and the efficacy of SA microcapsules (SAM) against blue mold caused by Penicillium expansum in postharvest apple fruit was elucidated. It was observed that SAM was the most effective in inhibiting the mycelial growth of P. expansum in vitro. SAM was also superior to SA for control of blue mold under in vivo conditions. Enzyme activity analysis revealed that both SA and SAM enhanced the activities of superoxide dismutase (SOD) and phenylalanine ammonia lyase (PAL) in apple fruit, whereas SAM led to higher SOD activities than SA. Total phenolic contents in the SAM group were higher than those in the SA group at the early stage of storage. SAM also improved fruit quality by retarding firmness loss and maintaining higher total soluble solids (TSS) contents. These findings indicate that microcapsules can serve as a promising formulation to load SA for increasing P. expansum inhibition activity and improving quality attributes in apple fruit. Full article

(This article belongs to the Special Issue Recent Advances in Food Microbiology Control)

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48 pages, 10745 KiB

Open AccessReview

Biobased Kapok Fiber Nano-Structure for Energy and Environment Application: A Critical Review

by Abdelmoumin Yahia Zerga and Muhammad Tahir

Molecules 2022, 27(22), 8107; https://doi.org/10.3390/molecules27228107 - 21 Nov 2022

Cited by 9 | Viewed by 4526

Abstract

The increasing degradation of fossil fuels has motivated the globe to turn to green energy solutions such as biofuel in order to minimize the entire reliance on fossil fuels. Green renewable resources have grown in popularity in recent years as a result of [...] Read more.

The increasing degradation of fossil fuels has motivated the globe to turn to green energy solutions such as biofuel in order to minimize the entire reliance on fossil fuels. Green renewable resources have grown in popularity in recent years as a result of the advancement of environmental technology solutions. Kapok fiber is a sort of cellulosic fiber derived from kapok tree seeds (Ceiba pentandra). Kapok Fiber, as a bio-template, offers the best alternatives to provide clean and renewable energy sources. The unique structure, good conductivity, and excellent physical properties exhibited by kapok fiber nominate it as a highly favored cocatalyst for deriving solar energy processes. This review will explore the role and recent developments of KF in energy production, including hydrogen and CO₂ reduction. Moreover, this work summarized the potential of kapok fiber in environmental applications, including adsorption and degradation. The future contribution and concerns are highlighted in order to provide perspective on the future advancement of kapok fiber. Full article

(This article belongs to the Special Issue Advances in Catalysis and Photocatalysis)

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15 pages, 2695 KiB

Open AccessArticle

Discovery of New Glucose Uptake Inhibitors as Potential Anticancer Agents by Non-Radioactive Cell-Based Assays

by Hsueh-Chih Hung, Li-Cheng Li, Jih-Hwa Guh, Fan-Lu Kung and Lih-Ching Hsu

Molecules 2022, 27(22), 8106; https://doi.org/10.3390/molecules27228106 - 21 Nov 2022

Cited by 4 | Viewed by 3143

Abstract

Tumor cells rely on aerobic glycolysis to support growth and survival, thus require more glucose supply. Glucose transporters GLUTs, primarily GLUT1, are overexpressed in various cancers. Targeting GLUTs has been regarded as a promising anticancer strategy. In this study, we first evaluated 75 [...] Read more.

Tumor cells rely on aerobic glycolysis to support growth and survival, thus require more glucose supply. Glucose transporters GLUTs, primarily GLUT1, are overexpressed in various cancers. Targeting GLUTs has been regarded as a promising anticancer strategy. In this study, we first evaluated 75 potential GLUT1 inhibitors obtained from virtual screening of the NCI chemical library by a high-throughput cell-based method using a fluorescent glucose analogue 2-(N-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)amino)-2-deoxy-d-glucose (2-NBDG) in COS-7 and SKOV3 cells that express high levels of GLUT1. Four compounds, #12, #16, #43 and #69, that significantly inhibited glucose uptake were further evaluated using flow cytometry directly measuring 2-NBDG uptake at the single-cell level and a Glucose Uptake-Glo^TM assay indirectly measuring 2-deoxy-d-glucose uptake in SKOV3, COS-7 or MCF-7 cells. The inhibitory effect on cancer cell growth was also determined in SKOV3 and MCF-7 cells, and #12 exhibited the best growth inhibitory effect equivalent to a known GLUT1 inhibitor WZB117. Although the anticancer effect of the identified potential GLUT1 inhibitors was moderate, they may enhance the activity of other anticancer drugs. Indeed, we found that #12 synergistically enhanced the anticancer activity of metformin in SKOV3 ovarian cancer cells. Full article

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20 pages, 646 KiB

Open AccessArticle

Fractionation and Extraction Optimization of Potentially Valuable Compounds and Their Profiling in Six Varieties of Two Nicotiana Species

by Csaba Laszlo, Kacper Kaminski, Haifeng Guan, Maria Fatarova, Jianbing Wei, Alexandre Bergounioux, Walter K. Schlage, Sandra Schorderet-Weber, Philippe A. Guy, Nikolai V. Ivanov, Kai Lamottke and Julia Hoeng

Molecules 2022, 27(22), 8105; https://doi.org/10.3390/molecules27228105 - 21 Nov 2022

Cited by 4 | Viewed by 3937

Abstract

There is an increasingly urgent call to shift industrial processes from fossil fuel feedstock to sustainable bio-based resources. This change becomes of high importance considering new budget requirements for a carbon-neutral economy. Such a transformation can be driven by traditionally used plants that [...] Read more.

There is an increasingly urgent call to shift industrial processes from fossil fuel feedstock to sustainable bio-based resources. This change becomes of high importance considering new budget requirements for a carbon-neutral economy. Such a transformation can be driven by traditionally used plants that are able to produce large amounts of valuable biologically relevant secondary metabolites. Tobacco plants can play a leading role in providing value-added products in remote areas of the world. In this study, we propose a non-exhaustive list of compounds with potential economic interest that can be sourced from the tobacco plant. In order to optimize extraction methodologies, we first analyzed their physico-chemical properties using rapid solubility tests and high-resolution microfractionation techniques. Next, to identify an optimal extraction for a selected list of compounds, we compared 13 different extraction method–solvent combinations. We proceeded with profiling some of these compounds in a total of six varieties from Nicotiana tabacum and Nicotiana rustica species, identifying the optimal variety for each. The estimated expected yields for each of these compounds demonstrate that tobacco plants can be a superior source of valuable compounds with diverse applications beyond nicotine. Among the most interesting results, we found high variability of anatabine content between species and varieties, ranging from 287 to 1699 µg/g. In addition, we found that CGA (1305 µg/g) and rutin (7910 µg/g) content are orders of magnitude lower in the Burley variety as compared to all others. Full article

(This article belongs to the Special Issue Plant Bioactive Compounds: Extraction, Identification and Biological Activities)

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15 pages, 2107 KiB

Open AccessArticle

Synthesis and Biological Evaluation of Novel Pyrimidine Amine Derivatives Bearing Bicyclic Monoterpene Moieties

by Mingguang Zhang, Yunyun Wang, Shifa Wang and Hongyan Wu

Molecules 2022, 27(22), 8104; https://doi.org/10.3390/molecules27228104 - 21 Nov 2022

Cited by 10 | Viewed by 2306

Abstract

A series of novel pinanyl pyrimidine amine derivatives (1e~1n) and camphoryl pyrimidine amine derivatives (2b~2f) bearing bicyclic monoterpene moieties were designed and synthesized from natural and renewable nopinone and camphor. All chemical structures of target [...] Read more.

A series of novel pinanyl pyrimidine amine derivatives (1e~1n) and camphoryl pyrimidine amine derivatives (2b~2f) bearing bicyclic monoterpene moieties were designed and synthesized from natural and renewable nopinone and camphor. All chemical structures of target compounds were characterized by ¹H NMR, ¹³C NMR and HRMS spectra analyses, and the antimicrobial activities were evaluated. The results indicated that most compounds showed considerable antibacterial and antifungal activities against Klebsiella pneumoniae, Streptococcus pneumoniae, Pseudomonas aeruginosa, Staphylococcus aureus, Escherichia coli, Methicillin-Resistant Staphylococcus aureus (MRSA), Bacillus cereus and Candida albicans. Among them, 1f showed potent antibacterial activity against all tested bacteria, 1i exhibited excellent inhibition against Streptococcus pneumoniae (1 μg/mL) and Escherichia coli (1 μg/mL), which was better than the control drug amikacin (2 μg/mL). As to antifungal activity against Candida albicans (C. albicans), compound 1l showed comparable activity (16 μg/mL) to the control drug ketoconazole. Furthermore, five active compounds with better antimicrobial activities also showed anti-inflammatory potencies against mouse mononuclear macrophages leukemia cells (RAW). Especially, 1f (IC₅₀ = 1.37 μM) and 2f (IC₅₀ = 1.87μM) are more potent than the control drug aspirin (IC₅₀ = 1.91 μM). Full article

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13 pages, 3447 KiB

Open AccessArticle

Virtual Screening of Artemisia annua Phytochemicals as Potential Inhibitors of SARS-CoV-2 Main Protease Enzyme

by Khalid Miandad, Asad Ullah, Kashif Bashir, Saifullah Khan, Syed Ainul Abideen, Bilal Shaker, Metab Alharbi, Abdulrahman Alshammari, Mahwish Ali, Abdul Haleem and Sajjad Ahmad

Molecules 2022, 27(22), 8103; https://doi.org/10.3390/molecules27228103 - 21 Nov 2022

Cited by 3 | Viewed by 3357

Abstract

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a human coronaviruses that emerged in China at Wuhan city, Hubei province during December 2019. Subsequently, SARS-CoV-2 has spread worldwide and caused millions of deaths around the globe. Several compounds and vaccines have been proposed [...] Read more.

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is a human coronaviruses that emerged in China at Wuhan city, Hubei province during December 2019. Subsequently, SARS-CoV-2 has spread worldwide and caused millions of deaths around the globe. Several compounds and vaccines have been proposed to tackle this crisis. Novel recommended in silico approaches have been commonly used to screen for specific SARS-CoV-2 inhibitors of different types. Herein, the phytochemicals of Pakistani medicinal plants (especially Artemisia annua) were virtually screened to identify potential inhibitors of the SARS-CoV-2 main protease enzyme. The X-ray crystal structure of the main protease of SARS-CoV-2 with an N3 inhibitor was obtained from the protein data bank while A. annua phytochemicals were retrieved from different drug databases. The docking technique was carried out to assess the binding efficacy of the retrieved phytochemicals; the docking results revealed that several phytochemicals have potential to inhibit the SARS-CoV-2 main protease enzyme. Among the total docked compounds, the top-10 docked complexes were considered for further study and evaluated for their physiochemical and pharmacokinetic properties. The top-3 docked complexes with the best binding energies were as follows: the top-1 docked complex with a −7 kcal/mol binding energy score, the top-2 docked complex with a −6.9 kcal/mol binding energy score, and the top-3 docked complex with a −6.8 kcal/mol binding energy score. These complexes were subjected to a molecular dynamic simulation analysis for further validation to check the dynamic behavior of the selected top-complexes. During the whole simulation time, no major changes were observed in the docked complexes, which indicated complex stability. Additionally, the free binding energies for the selected docked complexes were also estimated via the MM-GB/PBSA approach, and the results revealed that the total delta energies of MMGBSA were −24.23 kcal/mol, −26.38 kcal/mol, and −25 kcal/mol for top-1, top-2, and top-3, respectively. MMPBSA calculated the delta total energy as −17.23 kcal/mol (top-1 complex), −24.75 kcal/mol (top-2 complex), and −24.86 kcal/mol (top-3 complex). This study explored in silico screened phytochemicals against the main protease of the SARS-CoV-2 virus; however, the findings require an experimentally based study to further validate the obtained results. Full article

(This article belongs to the Special Issue In-Silico Methods for Drug Design and Discovery)

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12 pages, 2098 KiB

Open AccessArticle

Integrative Analysis of Proteomics and Metabolism Reveals the Potential Roles of Arachidonic Acid Metabolism in Hypoxia Response in Mouse Spleen

by Yujing Guo, Sheng Yong, Yuzhen Xu, Ying Hu, Jidong Li, Qifu Long, Xiaojun Wang, Cunlin Gu and Zengqiang Miao

Molecules 2022, 27(22), 8102; https://doi.org/10.3390/molecules27228102 - 21 Nov 2022

Cited by 5 | Viewed by 2149

Abstract

High altitude hypoxia stress is the key cause of high-altitude pulmonary edema and spleen contraction. The molecular mechanism of immune response of various tissue systems to hypoxia stress remains lacking. In this study, we applied proteomics combined with metabolomics to explore the key [...] Read more.

High altitude hypoxia stress is the key cause of high-altitude pulmonary edema and spleen contraction. The molecular mechanism of immune response of various tissue systems to hypoxia stress remains lacking. In this study, we applied proteomics combined with metabolomics to explore the key molecular profilings involved in high altitude hypoxia response in the spleen of mice. The results showed that 166 proteins were significantly up-regulated, and only 39 proteins were down-regulated. Bioinformatics analysis showed that mineral absorption, neuroactive ligand–receptor interaction, arachidonic acid metabolism, IL-17 signaling pathway and NOD-like preceptor signaling pathway were significantly enriched in the list of 166 upregulated differentially expressed proteins (DEPs). Among these metabolic pathways, the former three pathways were co-identified in KEGG terms from LC-MS/MS based metabolic analysis. We further found that both arachidonate 15-lipoxygenase and hematopoietic prostaglandin D synthase were upregulated by around 30% and 80% for their protein levels and mRNA levels, respectively. Most downstream metabolites were upregulated accordingly, such as prostaglandin A2 and D2. This study provides important evidence that arachidonic acid metabolism potentially promotes spleen hypoxia response through a combined analysis of proteomics and metabolism, which could bring new insights for the spleen targeted rational design upon arachidonic acid metabolism of new therapies. Full article

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23 pages, 2386 KiB

Open AccessArticle

In Vitro Determination of the Skin Anti-Aging Potential of Four-Component Plant-Based Ingredient

by José Quiles, Maria Cabrera, Jonathan Jones, Menelaos Tsapekos and Nuria Caturla

Molecules 2022, 27(22), 8101; https://doi.org/10.3390/molecules27228101 - 21 Nov 2022

Cited by 9 | Viewed by 5523

Abstract

The beauty industry is actively searching for solutions to prevent skin aging. Some of the crucial elements protecting cells from the aging process are telomere shortening, telomerase expression, cell senescence, and homeostasis of the redox system. Modification of these factors using natural antioxidants [...] Read more.

The beauty industry is actively searching for solutions to prevent skin aging. Some of the crucial elements protecting cells from the aging process are telomere shortening, telomerase expression, cell senescence, and homeostasis of the redox system. Modification of these factors using natural antioxidants is an appealing way to support healthy skin aging. Therefore, in this study, we sought to investigate the antiaging efficacy of a specific combination of four botanical extracts (pomegranate, sweet orange, Cistanche and Centella asiatica) with proven antioxidant properties. To this end, normal human dermal fibroblasts were used as a cell model and the following studies were performed: cell proliferation was established by means of the MTT assay and the intracellular ROS levels in stress-induced premature senescence fibroblasts; telomere length measurement was performed under standard cell culture conditions using qPCR and under oxidative stress conditions using a variation of the Q-FISH technique; telomerase activity was examined by means of Q-TRAP; and AGE quantification was completed by means of ELISA assay in UV-irradiated fibroblasts. As a result, the botanical blend significantly reversed the H₂O₂-induced decrease in cell viability and reduced H₂O₂-induced ROS. Additionally, the presence of the botanical ingredient reduced the telomere shortening rate in both stressed and non-stressed replicating fibroblasts, and under oxidative stress conditions, the fibroblasts presented a higher median and 20th percentile telomere length, as well as a lower percentage of short telomeres (<3 Kbp) compared with untreated fibroblasts. Furthermore, the ingredient transiently increased relative telomerase activity after 24 h and prevented the accumulation of UVR-induced glycated species. The results support the potential use of this four-component plant-based ingredient as an antiaging agent. Full article

(This article belongs to the Special Issue The Therapeutic Potential of Cosmeceuticals and Nutraceuticals)

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20 pages, 1650 KiB

Open AccessArticle

Effect of Salt Addition and Fermentation Time on Phenolics, Microbial Dynamics, Volatile Organic Compounds, and Sensory Properties of the PDO Table Olives of Gaeta (Italy)

by Raffaele Sacchi, Giandomenico Corrado, Boris Basile, Daniele Mandarello, Maria Luisa Ambrosino, Antonello Paduano, Maria Savarese, Nicola Caporaso, Maria Aponte and Alessandro Genovese

Molecules 2022, 27(22), 8100; https://doi.org/10.3390/molecules27228100 - 21 Nov 2022

Cited by 3 | Viewed by 2151

Abstract

‘Oliva di Gaeta’ is almost certainly the most important and well-known PDO denomination for table olives in Italy. Their production is based on a specific two-stage trade preparation called the ‘Itrana’ method. In this work, we investigated how variations in the duration of [...] Read more.

‘Oliva di Gaeta’ is almost certainly the most important and well-known PDO denomination for table olives in Italy. Their production is based on a specific two-stage trade preparation called the ‘Itrana’ method. In this work, we investigated how variations in the duration of the initial water fermentation (i.e., 15 and 30 days) and the salt concentration (i.e., 6% and 8% NaCl) influence the chemical features, microbial dynamics, polyphenols, volatile organic compounds, and sensory features of ‘Oliva di Gaeta’. The time of the addition of salt did not affect the final concentration in the brine, but a longer initial water fermentation (before salt addition) led to lower pH values. The bacterial count constantly increased until the salt addition (i.e., either 15 or 30 days), while the yeast population peaked on day 30. Generally, the two different salt concentrations did not affect the count of microorganisms at the end of fermentation, with the only exception being a higher lactic acid bacteria count for the treatment with 6% salt added at 30 days. At commercial maturity, the crucial bitter tastant oleuropein was not completely removed from the drupes, and differences in salt concentration and the length of the first-stage water fermentation did not influence its content at the end of olive curing. Richer volatile profiles of olives were detected with higher-salt treatments, while the combination of low salt and early saline treatment provided a more distinct profile. Longer initial water fermentation caused a small increase in some phenolic compounds (e.g., iso-verbascoside, verbascoside, and hydroxytyrosol-glucoside). A panel test indicated that salt application at 30 days resulted in a more “Sour” and “Bitter” taste, irrespective of the salt concentration. The low salt concentration coupled with the late saline treatment resulted in more “Fruity” notes, probably due to the higher production of esters by lactobacilli. The slightly bitter perception of the olives was consistent with the partial removal of oleuropein. Our work revealed the characteristics of the ‘Itrana’ method and that the variation in salt concentration and its time of application changes parameters ranging from the microbial dynamics to the sensory profile. Specifically, our data indicate that 6% NaCl coupled with a longer initial water fermentation is the most different condition: it is less effective in blocking microbial growth but, at the same time, is more potent in altering the nutritional (e.g., polyphenols) and sensorial qualities (e.g., bitterness and fruitiness) of ‘Oliva di Gaeta’. Full article

(This article belongs to the Special Issue Advances in Functional Foods)

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14 pages, 3174 KiB

Open AccessArticle

Aggregation-Induced Intermolecular Charge Transfer Emission for Solution-Processable Bipolar Host Material via Adjusting the Length of Alkyl Chain

by Wei Jiang, Guimin Zhao, Wenwen Tian and Yueming Sun

Molecules 2022, 27(22), 8099; https://doi.org/10.3390/molecules27228099 - 21 Nov 2022

Cited by 2 | Viewed by 2430

Abstract

Molecules with donor–spacer–acceptor configuration have been developed rapidly given their peculiar properties. How to utilize intermolecular interactions and charge transfers for solution-processed organic light-emitting diodes (OLEDs) greatly relies on molecular design strategy. Herein, soluble luminophores with D-spacer-A motif were constructed via shortening the [...] Read more.

Molecules with donor–spacer–acceptor configuration have been developed rapidly given their peculiar properties. How to utilize intermolecular interactions and charge transfers for solution-processed organic light-emitting diodes (OLEDs) greatly relies on molecular design strategy. Herein, soluble luminophores with D-spacer-A motif were constructed via shortening the alkyl chain from nonane to propane, where the alkyl chain was utilized as a spatial linker between the donor and acceptor. The alkyl chain blocks the molecular conjugation and induces the existence of aggregation-induced intermolecular CT emission, as well as the improved solubility and morphology in a solid-state film. In addition, the length of the alkyl chain affects the glass transition temperature, carrier transport and balance properties. The mCP-3C-TRZ with nonane as the spacer shows better thermal stability and bipolar carrier transport ability, so the corresponding solution-processable phosphorescent organic light-emitting diodes exhibit superior external quantum efficiency of 9.8% when using mCP-3C-TRZ as a host material. This work offers a promising strategy to establish a bipolar host via utilizing intermolecular charge transfer process in an aggregated state. Full article

(This article belongs to the Special Issue Aggregation-Induced Emission: From Fundamental to Application)

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28 pages, 3634 KiB

Open AccessReview

Deep Eutectic Solvent-Mediated Electrocatalysts for Water Splitting

by Chenyun Zhang, Yongqi Fu, Wei Gao, Te Bai, Tianyi Cao, Jianjiao Jin and Bingwei Xin

Molecules 2022, 27(22), 8098; https://doi.org/10.3390/molecules27228098 - 21 Nov 2022

Cited by 15 | Viewed by 3152

Abstract

As green, safe, and cheap solvents, deep eutectic solvents (DESs) provide tremendous opportunities to open up attractive perspectives for electrocatalysis. In this review, the achievement of DESs in the preparation of catalysts for electrolytic water splitting is described in detail according to their [...] Read more.

As green, safe, and cheap solvents, deep eutectic solvents (DESs) provide tremendous opportunities to open up attractive perspectives for electrocatalysis. In this review, the achievement of DESs in the preparation of catalysts for electrolytic water splitting is described in detail according to their roles combined with our own work. DESs are generally employed as green media, templates, and electrolytes. A large number of hydrogen bonds in DESs result in supramolecular structures which have the ability to shape the morphologies of nanomaterials and then tune their performance. DESs can also serve as reactive reagents of metal electrocatalysts through directly participating in synthesis. Compared with conventional heteroatom sources, they have the advantages of high safety and designability. The “all-in-one” transformation strategy is expected to realize 100% atomic transformation of reactants. The aim of this review is to offer readers a deeper understanding on preparing DES-mediated electrocatalysts with higher performance for water splitting. Full article

(This article belongs to the Special Issue Breakthrough Developments in Fundamental Studies and Applications of Deep Eutectic Systems)

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17 pages, 1580 KiB

Open AccessArticle

Effect of Hanseniaspora uvarum–Saccharomyces cerevisiae Mixed Fermentation on Aroma Characteristics of Rosa roxburghii Tratt, Blueberry, and Plum Wines

by Mingzheng Huang, Xiaozhu Liu, Xin Li, Xiaofang Sheng, Tingting Li, Weiyuan Tang, Zhihai Yu and Yuanmeng Wang

Molecules 2022, 27(22), 8097; https://doi.org/10.3390/molecules27228097 - 21 Nov 2022

Cited by 20 | Viewed by 2670

Abstract

Hanseniaspora uvarum, a non-Saccharomyces cerevisiae species, has a crucial effect on the aroma characteristics of fruit wines, thus, attracting significant research interest in recent years. In this study, H. uvarum–Saccharomyces cerevisiae mixed fermentation was used to ferment Rosa roxburghii [...] Read more.

Hanseniaspora uvarum, a non-Saccharomyces cerevisiae species, has a crucial effect on the aroma characteristics of fruit wines, thus, attracting significant research interest in recent years. In this study, H. uvarum–Saccharomyces cerevisiae mixed fermentation was used to ferment Rosa roxburghii Tratt, blueberry fruit wine, and plum fruit wines using either a co-inoculated or a sequentially inoculated approach. The three fruit wines’ volatile aroma characteristics were analyzed by headspace–solid-phase microextraction–gas chromatography-mass spectrometry (HS–SPME–GC–MS). The results showed that the mixed inoculation of H. uvarum and S. cerevisiae reduced the alcoholic content of Kongxinli fruit wine. Moreover, H. uvarum–S. cerevisiae fermented Rosa roxburghii Tratt, blueberry, and plum fruit wines and further enriched their flavor compounds. The overall flavor characteristics of sequentially inoculated fruit wines differed significantly from those fermented with S. cerevisiae alone, although several similarities were also observed. Sequential inoculation of H. uvarum and S. cerevisiae positively affected the mellowness of the wine and achieved a better harmony of the overall wine flavors. Therefore, H. uvarum–Saccharomyces cerevisiae mixed fermentation can improve the complexity of the wines’ aromatic composition and empower them with a unique identity. In particular, H. uvarum–Saccharomyces cerevisiae blueberry wine produced by mixed fermentation had the widest variety and content of aroma compounds among the fermented wines. Therefore, H. uvarum–Saccharomyces cerevisiae mixed-fermentation inoculation in the three fermented fruit wines significantly increased the aroma compound variety and content, thus, enriching their aroma richness and complexity. This study is the first comparative evaluation of the aroma characteristics of different fruit wines fermented with a mixed inoculation of H. uvarum and S. cerevisiae and provides a preliminary guide for these fruit wines produced with non-Saccharomyces yeast. Full article

(This article belongs to the Special Issue Food Chemistry in Asia)

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16 pages, 1314 KiB

Open AccessArticle

Evaluation of Spinning Cone Column Distillation as a Strategy for Remediation of Smoke Taint in Juice and Wine

by Carolyn Puglisi, Renata Ristic, Jamie Saint and Kerry Wilkinson

Molecules 2022, 27(22), 8096; https://doi.org/10.3390/molecules27228096 - 21 Nov 2022

Cited by 9 | Viewed by 5565

Abstract

Where vineyard exposure to bushfire smoke cannot be avoided or prevented, grape and wine producers need strategies to transform smoke-affected juice and wine into saleable product. This study evaluated the potential for spinning cone column (SCC) distillation to be used for the remediation [...] Read more.

Where vineyard exposure to bushfire smoke cannot be avoided or prevented, grape and wine producers need strategies to transform smoke-affected juice and wine into saleable product. This study evaluated the potential for spinning cone column (SCC) distillation to be used for the remediation of ‘smoke taint’. Compositional analysis of ‘stripped wine’ and condensate collected during SCC treatment of two smoke-tainted red wines indicated limited, if any, removal of volatile phenols, while their non-volatile glycoconjugates were concentrated due to water and ethanol removal. Together with the removal of desirable volatile aroma compounds, this enhanced the perception of smoke-related sensory attributes; i.e., smoke taint intensified. Stripped wines also became increasingly sour and salty as ethanol (and water) were progressively removed. A preliminary juice remediation trial yielded more promising results. While clarification, heating, evaporation, deionization and fermentation processes applied to smoke-tainted white juice gave ≤3 µg/L changes in volatile phenol concentrations, SCC distillation of smoke-tainted red juice increased the volatile phenol content of condensate (in some cases by 3- to 4-fold). Deionization of the resulting condensate removed 75 µg/L of volatile phenols, but fermentation of reconstituted juice increased volatile phenol concentrations again, presumably due to yeast metabolism of glycoconjugate precursors. Research findings suggest SCC distillation alone cannot remediate smoke taint, but used in combination with adsorbents, SCC may offer a novel remediation strategy, especially for tainted juice. Full article

(This article belongs to the Special Issue Smoke Taint in Grapes and Wine)

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19 pages, 4617 KiB

Open AccessArticle

Identification of Antidiabetic Compounds from the Aqueous Extract of Sclerocarya birrea Leaves

by Vinesh Maharaj, Chidinma Christiana Ezeofor, Dashnie Naidoo Maharaj, Christo J. F. Muller and Nnini Jennifer Obonye

Molecules 2022, 27(22), 8095; https://doi.org/10.3390/molecules27228095 - 21 Nov 2022

Cited by 5 | Viewed by 2463

Abstract

Diabetes, a prevalent metabolic condition with a wide range of complications, is fast becoming a global health crisis. Herbal medicine and enhanced extracts are some of the therapeutic options used in the management of diabetes mellitus. The plant-derived molecules and their suitable structure [...] Read more.

Diabetes, a prevalent metabolic condition with a wide range of complications, is fast becoming a global health crisis. Herbal medicine and enhanced extracts are some of the therapeutic options used in the management of diabetes mellitus. The plant-derived molecules and their suitable structure modification have given many leads or drugs to the world such as metformin used as an antidiabetic drug. The stem extract of Sclerocarya birrea has been reported as a potent antidiabetic (glucose uptake) agent. However, the bioactive compounds have not been reported from S. birrea for treatment of diabetes. In this study, the spray-dried aqueous leaf extracts of S. birrea were investigated as an antidiabetic agent using a 2-deoxy-glucose (2DG) technique showing good stimulatory effect on glucose uptake in differentiated C2C12 myocytes with % 2DG uptake ranging from 110–180% that was comparable to the positive control insulin. Three compounds were isolated and identified using bioassay-guided fractionation of the spray-dried aqueous extract of S. birrea leaves: myricetin (1), myricetin-3-O-β-D-glucuronide (2) and quercetin-3-O-β-D-glucuronide (3). Their chemical structures were determined using NMR and mass spectrometric analyses, as well as a comparison of experimentally obtained data to those reported in the literature. The isolated compounds (1–3) were studied for their stimulatory actions on glucose uptake in differentiated C2C12 myocytes. The three compounds (1, 2 and 3) showed stimulatory effects on the uptake of 2DG in C2C12 myocytes with % 2DG uptake ranging from 43.9–109.1% that was better compared to the positive control insulin. Additionally, this is the first report of the flavonoid glycosides (myricetin-3-O-β-D-glucuronide) for antidiabetic activity and they are the main bioactive compound in the extract responsible for the antidiabetic activity. This result suggests that the S. birrea leaves have the potential to be developed for treatment of diabetes. Full article

(This article belongs to the Section Natural Products Chemistry)

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21 pages, 6189 KiB

Open AccessArticle

Neuropeptides, New Ligands of SARS-CoV-2 Nucleoprotein, a Potential Link between Replication, Inflammation and Neurotransmission

by Julien Henri, Laetitia Minder, Kevin Mohanasundaram, Sébastien Dilly, Anne Goupil-Lamy, Carmelo Di Primo and Anny Slama Schwok

Molecules 2022, 27(22), 8094; https://doi.org/10.3390/molecules27228094 - 21 Nov 2022

Cited by 3 | Viewed by 2780

Abstract

This work identifies new ligands of the nucleoprotein N of SARS-CoV-2 by in silico screening, which used a new model of N, built from an Alphafold model refined by molecular dynamic simulations. The ligands were neuropeptides, such as substance P (1-7) and enkephalin, [...] Read more.

This work identifies new ligands of the nucleoprotein N of SARS-CoV-2 by in silico screening, which used a new model of N, built from an Alphafold model refined by molecular dynamic simulations. The ligands were neuropeptides, such as substance P (1-7) and enkephalin, bound at a large site of the C-terminal or associated with the N-terminal β−sheet. The BA4 and BA5 Omicron variants of N also exhibited a large site as in wt N, and an increased flexibility of the BA5 variant, enabling substance P binding. The binding sites of some ligands deduced from modeling in wt N were assessed by mutation studies in surface plasmon resonance experiments. Dynamic light scattering showed that the ligands impeded RNA binding to N, which likely inhibited replication. We suggest that the physiological role of these neuropeptides in neurotransmission, pain and vasodilation for cholecystokinin and substance P could be altered by binding to N. We speculate that N may link between viral replication and multiple pathways leading to long COVID-19 symptoms. Therefore, N may constitute a “danger hub” that needs to be inhibited, even at high cost for the host. Antivirals targeted to N may therefore reduce the risk of brain fog and stroke, and improve patients’ health. Full article

(This article belongs to the Special Issue Potential Anti-SARS-CoV-2 Molecular Strategies)

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20 pages, 836 KiB

Open AccessReview

Biotechnology and In Vitro Culture as an Alternative System for Secondary Metabolite Production

by Marouane Mohaddab, Younes El Goumi, Monica Gallo, Domenico Montesano, Gokhan Zengin, Abdelhakim Bouyahya and Malika Fakiri

Molecules 2022, 27(22), 8093; https://doi.org/10.3390/molecules27228093 - 21 Nov 2022

Cited by 16 | Viewed by 4300

Abstract

Medicinal plants are rich sources of bioactive compounds widely used as medicaments, food additives, perfumes, and agrochemicals. These secondary compounds are produced under stress conditions to carry out physiological tasks in plants. Secondary metabolites have a complex chemical structure with pharmacological properties. The [...] Read more.

Medicinal plants are rich sources of bioactive compounds widely used as medicaments, food additives, perfumes, and agrochemicals. These secondary compounds are produced under stress conditions to carry out physiological tasks in plants. Secondary metabolites have a complex chemical structure with pharmacological properties. The widespread use of these metabolites in a lot of industrial sectors has raised the need to increase the production of secondary metabolites. Biotechnological methods of cell culture allow the conservation of plants, as well as the improvement of metabolite biosynthesis and the possibility to modify the synthesis pathways. The objective of this review is to outline the applications of different in vitro culture systems with previously reported relevant examples for the optimal production of plant-derived secondary metabolites. Full article

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16 pages, 1795 KiB

Open AccessComment

Two Theorems and Important Insight on How the Preferred Mechanism of Free Radical Scavenging Cannot Be Settled. Comment on Pandithavidana, D.R.; Jayawardana, S.B. Comparative Study of Antioxidant Potential of Selected Dietary Vitamins; Computational Insights. Molecules 2019, 24, 1646

by Ioan Bâldea

Molecules 2022, 27(22), 8092; https://doi.org/10.3390/molecules27228092 - 21 Nov 2022

Cited by 3 | Viewed by 1595

Abstract

Totally ignoring that the five enthalpies of reaction—bond dissociation enthalpy (BDE), adiabatic ionization potential (IP), proton dissociation enthalpy (PDE), proton affinity (PA), and electron transfer enthalpy (ETE)—characterizing the three free radical scavenging mechanisms—direct hydrogen atom transfer (HAT), sequential electron transfer proton transfer (SET-PT), [...] Read more.

Totally ignoring that the five enthalpies of reaction—bond dissociation enthalpy (BDE), adiabatic ionization potential (IP), proton dissociation enthalpy (PDE), proton affinity (PA), and electron transfer enthalpy (ETE)—characterizing the three free radical scavenging mechanisms—direct hydrogen atom transfer (HAT), sequential electron transfer proton transfer (SET-PT), and stepwise proton loss electron transfer (SPLET)—are not independent of each other, a recent publication on the antioxidant activity of dietary vitamins compared various vitamins and “found” different quantities, which should be strictly equal by virtue of energy conservation. Aiming to clarify this point, as well as to avoid such mistakes in future studies and to unravel errors in the previous literature, in the present paper we formulate two theorems that any sound results on antioxidation should obey. The first theorem states that the sums of the enthalpies characterizing the individual steps of SET-PT and SPLET are equal: IP+PDE = PA+ETE (=H2). This is a mathematical identity emerging from the fact that both the reactants and the final products of SET-PT and SPLET are chemically identical. The second theorem, which is also a mathematical identity, states that H2 − BDE = IP

_{H}

> 0, where IP

_{H}

is the ionization potential of the H-atom in the medium (e.g., gas or solvent) considered. Due to their general character, these theorems may/should serve as necessary sanity tests for any results on antioxidant activity, whatever the method employed in their derivation. From a more general perspective, they should represent a serious word of caution regarding attempts to assign the preferred free radical scavenging pathway based merely on thermochemical descriptors. Full article

(This article belongs to the Section Computational and Theoretical Chemistry)

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12 pages, 1592 KiB

Open AccessArticle

pH as a Key Factor for the Quality Assurance of the Preparation of Gastrodiae Rhizoma Formula Granules

by Shuting Xie, Ke Min, Hai Li, Ying Wang, Mincong Liu, Ming Ma, Desheng Zhou, Haijun Tu and Bo Chen

Molecules 2022, 27(22), 8091; https://doi.org/10.3390/molecules27228091 - 21 Nov 2022

Cited by 1 | Viewed by 1939

Abstract

Gastrodiae rhizoma (GR) formula granules and preparations have been used as a popular traditional Chinese medicine for clinical treatment since they have good pharmacological activity to treat nervous system diseases. Gastrodin and parishins have been the main active components in aqueous [...] Read more.

Gastrodiae rhizoma (GR) formula granules and preparations have been used as a popular traditional Chinese medicine for clinical treatment since they have good pharmacological activity to treat nervous system diseases. Gastrodin and parishins have been the main active components in aqueous extracts for GR formula granules, but their pharmacological activities and metabolism are different. For quality control of the extracts, the extraction conditions should be investigated to accurately control the contents of two kinds of components. In this paper, the transfer rate of six index components (including gastrodin, p-hydroxybenzyl alcohol, parishin A, parishin B, parishin C, and parishin E) obtained by HPLC were used as indicators to investigate the effect of pH on the GR extraction process. The results demonstrated that pH is a key factor for preventing transforming parishins into gastrodin and maintaining high content of parishins in the extracts. It can be concluded that the weak acid environment could improve the transfer rate of parishins, thus ensuring the gastrodin and parishins consistency between GR raw materials and its aqueous extracts. Therefore, pH is an essential condition for accurate quality control of the extracts. Full article

(This article belongs to the Special Issue 2nd Edition of Food Bioactives: Chemical Challenges and Bio-Opportunities)

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18 pages, 2436 KiB

Open AccessReview

The Development of the Antibacterial Microcapsules of Citrus Essential Oil for the Cosmetotextile Application: A Review

by Euis Julaeha, Mohamad Nurzaman, Tatang Wahyudi, Sarifah Nurjanah, Nandang Permadi and Jamaludin Al Anshori

Molecules 2022, 27(22), 8090; https://doi.org/10.3390/molecules27228090 - 21 Nov 2022

Cited by 17 | Viewed by 3518

Abstract

Essential oils (EOs) obtained from the Citrus genus were reported to exhibit good antimicrobial activity. Therefore, they can potentially be applied in daily necessities such as textile sectors as antibacterial functional fabric products. However, a packaging technique to retain such volatile and labile [...] Read more.

Essential oils (EOs) obtained from the Citrus genus were reported to exhibit good antimicrobial activity. Therefore, they can potentially be applied in daily necessities such as textile sectors as antibacterial functional fabric products. However, a packaging technique to retain such volatile and labile active substances is compulsory. In particular, microencapsulation was found to be a common coating technique employed to protect EOs from the effects of light, heat, humidity, stability, and controlled release of active substances. Various microencapsulation techniques have been introduced, but the most widely used method is complex coacervation, as it is simple, inexpensive, and capable of snaring high essential oils. Hence, this review focused on the microencapsulation of the most consumable citrus EOs with complex coacervation methods and their immobilization on commonly carried-out fabrics. In addition, it also discusses the isolation methods of the EOs, their chemical composition, and the mechanism of antibacterial action. Full article

(This article belongs to the Special Issue Biomass Materials in Materials Chemistry: Preparation and Characterization)

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20 pages, 4496 KiB

Open AccessArticle

In Situ Polymerization of Linseed Oil-Based Composite Film: Enhancement of Mechanical and Water Barrier Properties by the Incorporation of Cinnamaldehyde and Organoclay

by Rim Guesmi, Nasreddine Benbettaieb, Mohamed Ramzi Ben Romdhane, Thouraya Barhoumi-Slimi and Ali Assifaoui

Molecules 2022, 27(22), 8089; https://doi.org/10.3390/molecules27228089 - 21 Nov 2022

Cited by 5 | Viewed by 2453

Abstract

Linseed oil-based composite films were prepared with cinnamaldehyde (Cin) using a modified clay (organoclay) through in situ polymerization, which is the result of the interaction between Cin and organoclay. The incorporation of organoclay reduces the polymer chain’s mobility and, therefore, increases the thermal [...] Read more.

Linseed oil-based composite films were prepared with cinnamaldehyde (Cin) using a modified clay (organoclay) through in situ polymerization, which is the result of the interaction between Cin and organoclay. The incorporation of organoclay reduces the polymer chain’s mobility and, therefore, increases the thermal stability of the composite films. In some experimental conditions, the clay is located both inside and on the surface of the film, thus, affecting the mechanical and thermal properties as well as the surface properties of the composite films. The incorporation of organoclay decreases the water contact angle of the composite film by more than 15%, whatever the amount of cinnamaldehyde. However, the incorporation of cinnamaldehyde has the opposite effect on film surface properties. Indeed, for the water vapor permeability (WVP), the effect of cinnamaldehyde on the film barrier properties is much higher in the presence of organoclay. The incorporation of hydrophobic compounds into the polymer films reduces the water content, which acts as a plasticizer and, therefore, decreases the WVP by more than 17%. Linseed oil has a natural antioxidant activity (~97%) due to the higher content of unsaturated fatty acids, and this activity increased with the amount of organoclay and cinnamaldehyde. Full article

(This article belongs to the Special Issue Edible Films and Coatings from Fruits or Vegetables)

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52 pages, 25279 KiB

Open AccessReview

Pestalotiopsis Diversity: Species, Dispositions, Secondary Metabolites, and Bioactivities

by Chu Wu, Yun Wang and Yujie Yang

Molecules 2022, 27(22), 8088; https://doi.org/10.3390/molecules27228088 - 21 Nov 2022

Cited by 8 | Viewed by 3452

Abstract

Pestalotiopsis species have gained attention thanks to their structurally complex and biologically active secondary metabolites. In past decades, several new secondary metabolites were isolated and identified. Their bioactivities were tested, including anticancer, antifungal, antibacterial, and nematicidal activity. Since the previous review published in [...] Read more.

Pestalotiopsis species have gained attention thanks to their structurally complex and biologically active secondary metabolites. In past decades, several new secondary metabolites were isolated and identified. Their bioactivities were tested, including anticancer, antifungal, antibacterial, and nematicidal activity. Since the previous review published in 2014, new secondary metabolites were isolated and identified from Pestalotiopsis species and unidentified strains. This review gathered published articles from 2014 to 2021 and focused on 239 new secondary metabolites and their bioactivities. To date, 384 Pestalotiopsis species have been discovered in diverse ecological habitats, with the majority of them unstudied. Some may contain secondary metabolites with unique bioactivities that might benefit pharmacology. Full article

(This article belongs to the Special Issue Bioactive Compounds in Food Bioscience and Pharmacology)

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17 pages, 2506 KiB

Open AccessArticle

Phenotypic Evaluation of Nucleoside Analogues against Trypanosoma cruzi Infection: In Vitro and In Vivo Approaches

by Ludmila F. de A. Fiuza, Denise G. J. Batista, Roberson D. Girão, Fabian Hulpia, Paula Finamore-Araújo, Mustafa M. Aldfer, Ehab Kotb Elmahallawy, Harry P. De Koning, Otacílio Moreira, Serge Van Calenbergh and Maria de Nazaré C. Soeiro

Molecules 2022, 27(22), 8087; https://doi.org/10.3390/molecules27228087 - 21 Nov 2022

Cited by 13 | Viewed by 2184

Abstract

Chagas disease, caused by Trypanosoma cruzi (T. cruzi), is a serious public health problem. Current treatment is restricted to two drugs, benznidazole and nifurtimox, displaying serious efficacy and safety drawbacks. Nucleoside analogues represent a promising alternative as protozoans do not biosynthesize [...] Read more.

Chagas disease, caused by Trypanosoma cruzi (T. cruzi), is a serious public health problem. Current treatment is restricted to two drugs, benznidazole and nifurtimox, displaying serious efficacy and safety drawbacks. Nucleoside analogues represent a promising alternative as protozoans do not biosynthesize purines and rely on purine salvage from the hosts. Protozoan transporters often present different substrate specificities from mammalian transporters, justifying the exploration of nucleoside analogues as therapeutic agents. Previous reports identified nucleosides with potent trypanocidal activity; therefore, two 7-derivatized tubercidins (FH11706, FH10714) and a 3′-deoxytubercidin (FH8513) were assayed against T. cruzi. They were highly potent and selective, and the uptake of the tubercidin analogues appeared to be mediated by the nucleoside transporter TcrNT2. At 10 μM, the analogues reduced parasitemia >90% in 2D and 3D cardiac cultures. The washout assays showed that FH10714 sterilized the infected cultures. Given orally, the compounds did not induce noticeable mouse toxicity (50 mg/kg), suppressed the parasitemia of T. cruzi-infected Swiss mice (25 mg/kg, 5 days) and presented DNA amplification below the limit of detection. These findings justify further studies with longer treatment regimens, as well as evaluations in combination with nitro drugs, aiming to identify more effective and safer therapies for Chagas disease. Full article

(This article belongs to the Special Issue Medicinal Chemistry Studies of Neglected Diseases)

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21 pages, 3785 KiB

Open AccessArticle

Metabolomic Profiling, Antioxidant and Enzyme Inhibition Properties and Molecular Docking Analysis of Antarctic Lichens

by Alfredo Torres-Benítez, José Erick Ortega-Valencia, Marta Sanchez, Pradeep Kumar Divakar, Mario J. Simirgiotis and María Pilar Gómez-Serranillos

Molecules 2022, 27(22), 8086; https://doi.org/10.3390/molecules27228086 - 21 Nov 2022

Cited by 9 | Viewed by 2220

Abstract

The lichen species Lecania brialmontii, Pseudephebe pubescens, and Sphaerophorus globosus are part of the prominent lichenoflora of the Antarctic territory. In this work, we report the metabolomic identification of ethanolic extracts of these species, their antioxidant and cholinesterase enzyme inhibitory activity, [...] Read more.

The lichen species Lecania brialmontii, Pseudephebe pubescens, and Sphaerophorus globosus are part of the prominent lichenoflora of the Antarctic territory. In this work, we report the metabolomic identification of ethanolic extracts of these species, their antioxidant and cholinesterase enzyme inhibitory activity, and conduct a molecular docking analysis with typical compounds. Eighteen compounds were identified by UHPLC-ESI-QTOF-MS in L. brialmontii, 18 compounds in P. pubescens, and 14 compounds in S. globosus. The content of phenolic compounds was variable among the species, ranging from 0.279 to 2.821 mg AG/g, and all three species showed high inhibition potential on the cholinesterase enzymes. Molecular docking showed important interactions between AChE and BChE with the selected compounds. This study evidences the chemical fingerprint of three species of the order Lecanorales that support the continuation of the study of other biological activities and their potential for medical research. Full article

(This article belongs to the Special Issue Improvements and Opportunities on Natural Products for Novel Drug Discovery)

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14 pages, 7173 KiB

Open AccessArticle

Sustainable Synthesis of Bright Fluorescent Nitrogen-Doped Carbon Dots from Terminalia chebula for In Vitro Imaging

by Raji Atchudan, Suguna Perumal, Thomas Nesakumar Jebakumar Immanuel Edison, Ashok K. Sundramoorthy, Sambasivam Sangaraju, Rajendran Suresh Babu and Yong Rok Lee

Molecules 2022, 27(22), 8085; https://doi.org/10.3390/molecules27228085 - 21 Nov 2022

Cited by 9 | Viewed by 2250

Abstract

In this study, sustainable, low-cost, and environmentally friendly biomass (Terminalia chebula) was employed as a precursor for the formation of nitrogen-doped carbon dots (N-CDs). The hydrothermally assisted Terminalia chebula fruit-derived N-CDs (TC-CDs) emitted different bright fluorescent colors under various excitation wavelengths. [...] Read more.

In this study, sustainable, low-cost, and environmentally friendly biomass (Terminalia chebula) was employed as a precursor for the formation of nitrogen-doped carbon dots (N-CDs). The hydrothermally assisted Terminalia chebula fruit-derived N-CDs (TC-CDs) emitted different bright fluorescent colors under various excitation wavelengths. The prepared TC-CDs showed a spherical morphology with a narrow size distribution and excellent water dispensability due to their abundant functionalities, such as oxygen- and nitrogen-bearing molecules on the surfaces of the TC-CDs. Additionally, these TC-CDs exhibited high photostability, good biocompatibility, very low toxicity, and excellent cell permeability against HCT-116 human colon carcinoma cells. The cell viability of HCT-116 human colon carcinoma cells in the presence of TC-CDs aqueous solution was calculated by MTT assay, and cell viability was higher than 95%, even at a higher concentration of 200 μg mL⁻¹ after 24 h incubation time. Finally, the uptake of TC-CDs by HCT-116 human colon carcinoma cells displayed distinguished blue, green, and red colors during in vitro imaging when excited by three filters with different wavelengths under a laser scanning confocal microscope. Thus, TC-CDs could be used as a potential candidate for various biomedical applications. Moreover, the conversion of low-cost/waste natural biomass into products of value promotes the sustainable development of the economy and human society. Full article

(This article belongs to the Special Issue Carbon Nanomaterials: Synthesis and Application)

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35 pages, 6445 KiB

Open AccessArticle

Process Simulation and Life Cycle Assessment of Waste Plastics: A Comparison of Pyrolysis and Hydrocracking

by Muhammad Usman Azam, Akshay Vete and Waheed Afzal

Molecules 2022, 27(22), 8084; https://doi.org/10.3390/molecules27228084 - 21 Nov 2022

Cited by 15 | Viewed by 5552

Abstract

Pyrolysis and hydrocracking of plastic waste can produce valuable products with manageable effects on the environment as compared to landfilling and incineration. This research focused on the process simulation and life cycle assessment of the pyrolysis and hydrocracking of high-density polyethylene. Aspen Plus [...] Read more.

Pyrolysis and hydrocracking of plastic waste can produce valuable products with manageable effects on the environment as compared to landfilling and incineration. This research focused on the process simulation and life cycle assessment of the pyrolysis and hydrocracking of high-density polyethylene. Aspen Plus was used as the simulator and the Peng-Robinson thermodynamic model was employed as a fluid package. Additionally, sensitivity analysis was conducted in order to optimize product distribution. Based on the simulation, the hydrocracking process produced value-added fuels, i.e., gasoline and natural gas. In contrast, pyrolysis generated a significant quantity of pyrolysis oil with a high number of cyclo-compounds and char, which are the least important to be utilized as fuels. Moreover, in the later part of the study, life cycle assessment (LCA) was adopted in order to investigate and quantify their impact upon the environment using simulation inventory data, which facilitates finding a sustainable process. Simapro was used as a tool for LCA of the processes and materials used. The results demonstrate that hydrocracking is a better process in terms of environmental impact in 10 out of the 11 impact categories. Overall, the present study proposed a promising comparison based on energy demands, product distribution, and potential environmental impacts, which will help to improve plastic waste management. Full article

(This article belongs to the Special Issue Chemical Recycling of Waste Plastics)

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19 pages, 2518 KiB

Open AccessReview

An Overview of Antitumour Activity of Polysaccharides

by Hongzhen Jin, Maohua Li, Feng Tian, Fan Yu and Wei Zhao

Molecules 2022, 27(22), 8083; https://doi.org/10.3390/molecules27228083 - 21 Nov 2022

Cited by 15 | Viewed by 3700

Abstract

Cancer incidence and mortality are rapidly increasing worldwide; therefore, effective therapies are required in the current scenario of increasing cancer cases. Polysaccharides are a family of natural polymers that hold unique physicochemical and biological properties, and they have become the focus of current [...] Read more.

Cancer incidence and mortality are rapidly increasing worldwide; therefore, effective therapies are required in the current scenario of increasing cancer cases. Polysaccharides are a family of natural polymers that hold unique physicochemical and biological properties, and they have become the focus of current antitumour drug research owing to their significant antitumour effects. In addition to the direct antitumour activity of some natural polysaccharides, their structures offer versatility in synthesizing multifunctional nanocomposites, which could be chemically modified to achieve high stability and bioavailability for delivering therapeutics into tumor tissues. This review aims to highlight recent advances in natural polysaccharides and polysaccharide-based nanomedicines for cancer therapy. Full article

(This article belongs to the Special Issue Carbohydrate-Based Drugs Discovery)

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20 pages, 3238 KiB

Open AccessArticle

Effects of Sorafenib and Quercetin Alone or in Combination in Treating Hepatocellular Carcinoma: In Vitro and In Vivo Approaches

by Suzan Abdu, Nouf Juaid, Amr Amin, Mohamed Moulay and Nabil Miled

Molecules 2022, 27(22), 8082; https://doi.org/10.3390/molecules27228082 - 21 Nov 2022

Cited by 49 | Viewed by 3311

Abstract

Sorafenib is the first drug approved to treat advanced hepatocellular carcinoma (HCC) and continues as the gold-standard therapy against HCC. However, acquired drug resistance represents a main concern about sorafenib therapy. The flavanol quercetin found in plants has shown great anti-cancer and anti-inflammatory [...] Read more.

Sorafenib is the first drug approved to treat advanced hepatocellular carcinoma (HCC) and continues as the gold-standard therapy against HCC. However, acquired drug resistance represents a main concern about sorafenib therapy. The flavanol quercetin found in plants has shown great anti-cancer and anti-inflammatory properties. In this work, quercetin was used as a therapeutic agent alone or in combination with a sorafenib chemotherapy drug to improve the routine HCC treatment with sorafenib. The in vitro and in vivo results presented here confirm that quercetin alone or in combination with sorafenib significantly inhibited HCC growth, induced cell cycle arrest and induced apoptosis and necrosis. Further molecular data shown in this report demonstrate that quercetin alone or combined with sorafenib downregulated key inflammatory, proliferative and angiogenesis-related genes (TNF-α, VEGF, P53 and NF-κB). Combined quercetin/sorafenib treatment markedly improved the morphology of the induced liver damage and showed significant antioxidant and anti-tumor effects. The advantage of combined treatment efficacy reported here can be attributed to quercetin’s prominent effects in modulating cell cycle arrest, apoptosis, oxidative stress and inflammation. Full article

(This article belongs to the Special Issue Natural Products as Antitumor Agents)

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