Molecules

11 pages, 2137 KiB

Open AccessArticle

Selenium(IV) Polybromide Complexes: Structural Diversity Driven by Halogen and Chalcogen Bonding

by Nikita A. Korobeynikov, Andrey N. Usoltsev, Alexander S. Novikov, Pavel A. Abramov, Maxim N. Sokolov and Sergey A. Adonin

Molecules 2022, 27(16), 5355; https://doi.org/10.3390/molecules27165355 - 22 Aug 2022

Cited by 4 | Viewed by 2006

Abstract

Reactions between bromoselenate(IV)-containing solutions, dibromine and salts of pyridinium-family organic cations resulted in structurally diverse, bromine-rich polybromine-bromoselenates(IV): (4-MePyH)₅[Se₂Br₉][SeBr₆](Br₃)₂ (1), (2-MePyH)₂{[SeBr₆](Br₂)} (2), (PyH) [...] Read more.

Reactions between bromoselenate(IV)-containing solutions, dibromine and salts of pyridinium-family organic cations resulted in structurally diverse, bromine-rich polybromine-bromoselenates(IV): (4-MePyH)₅[Se₂Br₉][SeBr₆](Br₃)₂ (1), (2-MePyH)₂{[SeBr₆](Br₂)} (2), (PyH)₂{[SeBr₅]Br(Br₂)₂} (3), (1-MePy)₂{[SeBr₆](Br₂)} (4). The compounds feature halogen and (in the case of 3) chalcogen bonding in solid state, resulting in formation of supramolecular architectures of different dimensionality. DFT calculations allowed estimation of the energies of non-covalent interactions in 1–4; additionally, characterization by Raman spectroscopy was performed. Full article

(This article belongs to the Special Issue Covalent and Noncovalent Interactions in Crystal Chemistry)

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28 pages, 3194 KiB

Open AccessReview

The Current Situation of Pea Protein and Its Application in the Food Industry

by Parvathy Shanthakumar, Joanna Klepacka, Aarti Bains, Prince Chawla, Sanju Bala Dhull and Agnieszka Najda

Molecules 2022, 27(16), 5354; https://doi.org/10.3390/molecules27165354 - 22 Aug 2022

Cited by 114 | Viewed by 21964

Abstract

Pea (Pisum sativum) is an important source of nutritional components and is rich in protein, starch, and fiber. Pea protein is considered a high-quality protein and a functional ingredient in the global industry due to its low allergenicity, high protein content, [...] Read more.

Pea (Pisum sativum) is an important source of nutritional components and is rich in protein, starch, and fiber. Pea protein is considered a high-quality protein and a functional ingredient in the global industry due to its low allergenicity, high protein content, availability, affordability, and deriving from a sustainable crop. Moreover, pea protein has excellent functional properties such as solubility, water, and oil holding capacity, emulsion ability, gelation, and viscosity. Therefore, these functional properties make pea protein a promising ingredient in the food industry. Furthermore, several extraction techniques are used to obtain pea protein isolate and concentrate, including dry fractionation, wet fractionation, salt extraction, and mild fractionation methods. Dry fractionation is chemical-free, has no loss of native functionality, no water use, and is cost-effective, but the protein purity is comparatively low compared to wet extraction. Pea protein can be used as a food emulsifier, encapsulating material, a biodegradable natural polymer, and also in cereals, bakery, dairy, and meat products. Therefore, in this review, we detail the key properties related to extraction techniques, chemistry, and structure, functional properties, and modification techniques, along with their suitable application and health attributes. Full article

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

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14 pages, 1446 KiB

Open AccessArticle

Autochthonous Arthrospira platensis Gomont Driven Nickel (Ni) Phycoremediation from Cooking Oil Industrial Effluent

by Isha Shakoor, Aisha Nazir, Sonal Chaudhry, Qurat-ul-Ain, Firdaus-e-Bareen and Sergio C. Capareda

Molecules 2022, 27(16), 5353; https://doi.org/10.3390/molecules27165353 - 22 Aug 2022

Cited by 2 | Viewed by 1939

Abstract

Nickel (Ni) leftovers arise from both catalyst application interventions and Ni alloy piping of the cooking oil industry (COI) being wasted as pollutants of freshwater bodies via discharged effluent. The current study assessed one of the indigenously feasible Ni removal systems comprising autochthonous [...] Read more.

Nickel (Ni) leftovers arise from both catalyst application interventions and Ni alloy piping of the cooking oil industry (COI) being wasted as pollutants of freshwater bodies via discharged effluent. The current study assessed one of the indigenously feasible Ni removal systems comprising autochthonous Arthrospira platensis Gomont (AP)-driven Ni phycoremediation cells (NPCs). After screening AP for hyperaccumulation in the Ni spiked solution, AP was transferred to the NPCs. Propagation of the AP inoculum was proportionate to the pollution load drop of COI with 22.97 and 55.07% drops in the biochemical (BOD) and chemical oxygen demand (COD), respectively. With the 0.11 bioconcentration factor, there was an uptake of 14.24 g mineral with 16.22% Ni removal and a 36.35 desorption ratio. The experimental data closely fitted with the Langmuir and Freundlich isotherms, respectively. The study concluded that A. platensis could be taken for treatment of Ni-loaded industrial effluents at the microcosmic level. Full article

(This article belongs to the Special Issue Sustainable Algal Bioremediation for Heavy Metals in Wastewater)

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18 pages, 10300 KiB

Open AccessArticle

The First Convergent Synthesis of 23,23-Difluoro-25-hydroxyvitamin D₃ and Its 24-Hydroxy Derivatives: Preliminary Assessment of Biological Activities

by Sayuri Mototani, Fumihiro Kawagoe, Kaori Yasuda, Hiroki Mano, Toshiyuki Sakaki and Atsushi Kittaka

Molecules 2022, 27(16), 5352; https://doi.org/10.3390/molecules27165352 - 22 Aug 2022

Cited by 3 | Viewed by 2198

Abstract

In this paper, we report an efficient synthetic route for the 23,23-difluoro-25-hydroxyvitamin D₃ (5) and its 24-hydroxylated analogues (7,8), which are candidates for the CYP24A1 main metabolites of 5. The key fragments, 23,23-difluoro-CD-ring precursors ( [...] Read more.

In this paper, we report an efficient synthetic route for the 23,23-difluoro-25-hydroxyvitamin D₃ (5) and its 24-hydroxylated analogues (7,8), which are candidates for the CYP24A1 main metabolites of 5. The key fragments, 23,23-difluoro-CD-ring precursors (9–11), were synthesized starting from Inhoffen-Lythgoe diol (12), and introduction of the C23 difluoro unit to α-ketoester (19) was achieved using N,N-diethylaminosulfur trifluoride (DAST). Preliminary biological evaluation revealed that 23,23-F₂-25(OH)D₃ (5) showed approximately eight times higher resistance to CYP24A1 metabolism and 12 times lower VDR-binding affinity than its nonfluorinated counterpart 25(OH)D₃ (1). Full article

(This article belongs to the Special Issue Steroid Chemistry: Synthesis and Conformational Studies)

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23 pages, 8656 KiB

Open AccessArticle

Nanostructured Electrospun Polycaprolactone—Propolis Mats Composed of Different Morphologies for Potential Use in Wound Healing

by Agnes Chacor de Figueiredo, Javier Mauricio Anaya-Mancipe, Aline Oliveira da Silva de Barros, Ralph Santos-Oliveira, Marcos Lopes Dias and Rossana Mara da Silva Moreira Thiré

Molecules 2022, 27(16), 5351; https://doi.org/10.3390/molecules27165351 - 22 Aug 2022

Cited by 14 | Viewed by 2891

Abstract

This study aimed to investigate different types of morphologies obtained using the electrospinning process to produce a material that enables wound healing while performing a controlled release. Using benign solvents, the authors prepared and characterised electrospun polycaprolactone mats loaded with propolis, a popular [...] Read more.

This study aimed to investigate different types of morphologies obtained using the electrospinning process to produce a material that enables wound healing while performing a controlled release. Using benign solvents, the authors prepared and characterised electrospun polycaprolactone mats loaded with propolis, a popular extract in traditional medicine with potential for skin repair. Different morphologies were obtained from distinct storage periods of the solution before electrospinning to investigate the effect of PCL hydrolysis (average diameters of fibres and beads: 159.2–280.5 nm and 1.9–5.6 μm, respectively). Phytochemical and FTIR analyses of the extract confirmed propolis composition. GPC and viscosity analyses showed a decrease in polymer molecular weight over the storage period (about a 70% reduction over 14 days) and confirmed that it was responsible for the nanostructure diversity. Moreover, propolis acted as a lubricant agent, affecting the spun solutions’ viscosity and the thermal properties and hydrophilicity of the mats. All samples were within the value range of the water vapour transpiration rate of the commercial products (1263.08 to 2179.84 g/m²·day). Even though the presence of beads did not affect the propolis release pattern, an in vitro wound-healing assay showed that propolis-loaded mats composed of beaded fibres increased the cell migration process. Thus, these films could present the potential for use in wound dressing applications. Full article

(This article belongs to the Special Issue Sustainable Materials for Healthcare: Green Drug Delivery and Devices)

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15 pages, 3189 KiB

Open AccessArticle

Anti-Cancer Effect of Sesquiterpene and Triterpenoids from Agarwood of Aquilaria sinensis

by Lili Chen, Yunyun Liu, Yifei Li, Wu Yin and Yongxian Cheng

Molecules 2022, 27(16), 5350; https://doi.org/10.3390/molecules27165350 - 22 Aug 2022

Cited by 13 | Viewed by 2684

Abstract

Two new guaiane sesquiterpenes, aquisinenoids A and B (1 and 2), two new eudesmane-type sesquiterpenoids, aquisinenoids C and D (3 and 4), one new cucurbitacin, aquisinenoid E (5), and five known cucurbitacins (6–10) [...] Read more.

Two new guaiane sesquiterpenes, aquisinenoids A and B (1 and 2), two new eudesmane-type sesquiterpenoids, aquisinenoids C and D (3 and 4), one new cucurbitacin, aquisinenoid E (5), and five known cucurbitacins (6–10) were isolated from agarwood of Aquilaria sinensis. The structures of these new compounds, including their absolute configurations, were characterized by spectroscopic and computational methods. The biological evaluation showed that compounds 3 and 9 had an anti-cancer effect on most of the cancer cells at 5 μM, especially in human breast cancer cells. Interestingly, the new compound 3 exhibited more sensitivity on cancer cells than normal cells, highlighting its potential as a novel anti-cancer agent. Mechanically, compound 3 treatment increased the ROS generation and triggered apoptosis of human breast cancer cells. Full article

(This article belongs to the Section Natural Products Chemistry)

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The structures of compounds 1–10. Full article ">Figure 2
Key 1H−1H COSY and HMBC correlations for 1–5. Full article ">Figure 3
Key ROESY correlations for 1–5. Full article ">Figure 4
(A): X-ray structure of 1. (B–E): The calculated and experimental ECD spectra of 2–5. Full article ">Figure 5
Compound 3 inhibited the proliferation and growth of human breast cancer cells. (A–C); MCF-7 (A), MDA-MB-231 (B), and LO2 cells (C) were treated with indicated concentration of compound 3 for 24 h, MTT assay was used to detect cell viability. GraphPad Prism 7 was used to draw the picture and SPSS was utilized to analyze IC50 of compound 3; (D,E), EdU assay was applied to detect the cell proliferation ability after treatment with compound 3 in MCF-7 (D) and MDA-MB-231 cells (E). Fluorescence microscopy was performed to capture the picture and Image J software was used to analyze the EdU positive ratio, scale bar, 40 μm. * p < 0.05, ** p < 0.01, *** p < 0.001. Full article ">Figure 6
ROS are involved in compound 3-induced cancer cells apoptosis. (A,B), MCF-7 (A) and MDA-MB-231 cells (B) were pre-treated with NAC (1 mM) for 1 h and then treated with different concentration of compound 3 for 24 h, MTT assay was used to examine the cell viability; (C,D), MCF-7 (C) and MDA-MB-231 cells (D) were exposed to the indicated concentration of compound 3 or co-treated with 1 mM NAC for 24 h and the cell apoptosis was detected by flow cytometry and bar chart indicated that the apoptosis rate via FlowJo software. ** p < 0.01, *** p < 0.001; ns represents nonsignificant effects. Full article ">

14 pages, 2175 KiB

Open AccessReview

Veratrum parviflorum: An Underexplored Source for Bioactive Steroidal Alkaloids

by Jared T. Seale and Owen M. McDougal

Molecules 2022, 27(16), 5349; https://doi.org/10.3390/molecules27165349 - 22 Aug 2022

Cited by 8 | Viewed by 3057

Abstract

Plants of the Veratrum genus have been used throughout history for their emetic properties, rheumatism, and for the treatment of high blood pressure. However, inadvertent consumption of these plants, which resemble wild ramps, induces life-threatening side effects attributable to an abundance of steroidal [...] Read more.

Plants of the Veratrum genus have been used throughout history for their emetic properties, rheumatism, and for the treatment of high blood pressure. However, inadvertent consumption of these plants, which resemble wild ramps, induces life-threatening side effects attributable to an abundance of steroidal alkaloids. Several of the steroidal alkaloids from Veratrum spp. have been investigated for their ability to antagonize the Hedgehog (Hh) signaling pathway, a key pathway for embryonic development and cell proliferation. Uncontrolled activation of this pathway is linked to the development of various cancers; most notably, basal cell carcinoma and acute myeloid leukemia. Additional investigation of Veratrum spp. may lead to the identification of novel alkaloids with the potential to serve as chemotherapeutics. V. parviflorum is a relatively uncommon species of Veratrum that resides in the southeastern regions of North America. The phytochemical profile of this plant remains largely unexplored; however, bioactive steroidal alkaloids, including cyclopamine, veratramine, veratridine, and verazine were identified in its extract. The structural elucidation and bioactivity assessment of steroidal alkaloids in lesser abundance within the extract of V. parviflorum may yield potent Hh pathway inhibitors. This review seeks to consolidate the botanical and phytochemical information regarding V. parviflorum. Full article

(This article belongs to the Special Issue Natural Products as Inspirations for the Development of Potential Therapeutic Agents)

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Veratrum spp. separated by classification in Veratrum sect. Fuscoveratrum and Veratrum sect. Veratrum. Full article ">Figure 2
V. parviflorum in situ before blooming (left). In the later stages of growth, a stem protrudes from the base of the plant and blooms with pale green flowers (right) [<a href="#B19-molecules-27-05349" class="html-bibr">19</a>]. Full article ">Figure 3
Schematic of the Hedgehog signaling pathway. In the absence of Hedgehog (Hh) ligands (left), Patched (PTCH) inhibits the G protein-coupled receptor, SMO. Protein kinase A (PKA) phosphorylates glioma-associated (Gli) transcription factors, which then undergo proteolytic cleavage from the suppressor of fused (SuFu) to generate the repressor form (Glir). Glir hinders transcription of the Hh genes and turns the pathway off. In the presence of Hh ligands (right), PTCH is bound by the Hh ligand, resulting in the phosphorylation of SMO. Gli transcription factors dissociate from SuFu and generate the activator form (Glia). Glia promotes the transcription of the Hh genes and turns the pathway on. In the presence of a Hh pathway inhibitor such as cyclopamine, SMO will remain inactivated and PKA will phosphorylate Gli transcription factors; thus, this will generate the Glir that inhibits transcription [<a href="#B46-molecules-27-05349" class="html-bibr">46</a>]. (Graphic created with BioRender.com.) Full article ">Figure 4
Chemical structures of (a) cyclopamine, (b) veratramine, (c) verazine, and (d) veratridine. Full article ">Figure 5
Chemical structures of (a) cyclopamine and its semi-synthetic (b–e) analogs. Initial modifications led to the production of the (b) α/β-unsaturated ketone analog with improved chemical stability and aqueous solubility. Successive studies produced three lead compounds: (c) methyl sulfonamide analog, (d) pyrazole analog, and the (e) lactam analog. Compound (c) was named saridegib, now known as patidegib. Full article ">

13 pages, 17027 KiB

Open AccessArticle

The Obesity Amelioration Effect in High-Fat-Diet Fed Mice of a Homogeneous Polysaccharide from Codonopsis pilosula

by Qi Su, Jiangyan Huo, Yibin Wang, Yang Zhou, Dan Luo, Jinjun Hou, Zijia Zhang, Huali Long, Xianchun Zhong, Cen Xie, Min Lei, Yameng Liu and Wanying Wu

Molecules 2022, 27(16), 5348; https://doi.org/10.3390/molecules27165348 - 22 Aug 2022

Cited by 8 | Viewed by 2393

Abstract

A homogeneous polysaccharide coded as CPP−1 was extracted and purified from the root of Codonopsis pilosula (Franch.) Nannf. by water extraction, ethanol precipitation, and column chromatography. Its structure was analyzed by HPGPC-ELSD, HPLC, GC-MS, FT-IR, and NMR techniques. The results indicated that CPP−1 [...] Read more.

A homogeneous polysaccharide coded as CPP−1 was extracted and purified from the root of Codonopsis pilosula (Franch.) Nannf. by water extraction, ethanol precipitation, and column chromatography. Its structure was analyzed by HPGPC-ELSD, HPLC, GC-MS, FT-IR, and NMR techniques. The results indicated that CPP−1 was composed of mannose (Man), glucose (Glc), galactose (Gal), and arabinose (Ara) at a molar ratio of 5.86 : 51.69 : 34.34 : 8.08. The methylation analysis revealed that the main glycosidic linkage types of CPP−1 were (1→)-linked-Glc residue, (1→3)-linked-Glc residues, (1→4)-linked-Gal residue, (1→2,3,4)-linked-Glc residue, (1→)-linked-Man residue, (1→3,4)-linked-Glc residue, and (1→)-linked-Ara residue. In vivo efficacy trial illustrated that CPP−1 supplements could alleviate HFD-induced mice obesity significantly, as well as improve obesity-induced disorders of glucose metabolism, alleviate insulin resistance, and improve the effects of lipid metabolism. The findings indicate that this polysaccharide has the potential for the treatment of obesity. Full article

(This article belongs to the Topic Advances on the Extraction, Functionalities and Applications of Polysaccharides)

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(A) The eluted profile of CPP80 on the DEAE-52 column; (B) HPGPC-ELSD result of CPP−1; (C) the results of monosaccharide composition analysis of CPP−1; (D) FT-IR spectrum of CPP−1 in the range of 4000–400 cm−1. Full article ">Figure 2
NMR spectra of CPP−1. (A) 1H NMR spectrum; (B) 13C NMR spectrum; (C) HSQC spectrum; red is a positive signal and blue is a negative signal. Full article ">Figure 3
CPP−1 reduced HFD-induces body weight gain and improved glucose metabolism in mice. (A) Percentage of initial body weight; (B) daily food intake; (C) adipose index (adipose weight/body weight); (D) random blood glucose; (E) glucose tolerance test (GTT); (F) the areas under the curve (AUC); (G) fasting blood glucose; (H) fasting insulin; (I) insulin resistance index (HOMA-IR). Data are expressed as the mean ± SEM. Graph bars marked with different quantity of star sign on top represent statistically significant results based on two-tailed Student’s t-tests (* p < 0.05, ** p < 0.01, *** p < 0.001 versus HFD). Full article ">Figure 4
CPP−1 improves lipid metabolism and alleviates lipid accumulation in mice. (A) Serum TG; (B) serum T-CHO; (C) serum LDL-C; (D) serum HDL-C; (E) serum ALT; (F) serum AST; (G) hepatic TG; (H) hepatic T-CHO; (I) representative H&E staining of liver, scale bar: 50 μm (upper) and eWAT, scale bar: 10 μm (lower) sections. Data are expressed as the mean ± SEM (* p < 0.05, ** p < 0.01, *** p < 0.001 versus HFD). Full article ">

15 pages, 4628 KiB

Open AccessArticle

Hepatoprotective Activity of Ethanol Extract of Rice Solid-State Fermentation of Ganoderma tsugae against CCl₄-Induced Acute Liver Injury in Mice

by Xin Zhang, Wentao Lv, Yongping Fu, Yu Li, Jinhe Wang, Dongjie Chen, Xuerong Han and Zhenhao Li

Molecules 2022, 27(16), 5347; https://doi.org/10.3390/molecules27165347 - 22 Aug 2022

Cited by 5 | Viewed by 2214

Abstract

Ganoderma tsugae is well known as a medicinal mushroom in China and many Asian countries, while its fermentation technique and corresponding pharmacological activity are rarely reported. In this study, a wild G. tsugae strain (G42) with high triterpenoid content was screened from nine [...] Read more.

Ganoderma tsugae is well known as a medicinal mushroom in China and many Asian countries, while its fermentation technique and corresponding pharmacological activity are rarely reported. In this study, a wild G. tsugae strain (G42) with high triterpenoid content was screened from nine strains by rice solid-state fermentation, and 53.86 mg/g triterpenoids could be produced under optimized conditions; that is, inoculation amount 20%, fermentation temperature 27 °C, and culture time 45 days. The hepatoprotective activity of G42 ethanol extract was evaluated by CCl₄-induced liver injury in mice, in which changes in the levels of aspartate aminotransferase (AST), alanine aminotransferase (ALT), oxidation-related factors, and inflammatory cytokines in serum or liver samples demonstrated the therapeutic effect. In addition, the ethanol extract of G42 reduced the incidence of necrosis and inflammatory infiltration, and decreased protein expression levels of phosphor-nuclear factor-κB (NF-κB), interleukin-Iβ (IL-1β), and nuclear factor erythroid-2-related factor 2 (NRF2). The chemical composition of the ethanol extract was analyzed by high-resolution mass spectrometry and molecular networking. Three main triterpenoids, namely platycodigenin, cucurbitacin IIb, and ganolecidic acid B were identified. This work provided an optimized fermentation method for G. tsugae, and demonstrated that its fermentation extract might be developed as a functional food with a hepatoprotective effect. Full article

(This article belongs to the Special Issue Structural Analysis and Biological Evaluation of Compounds from Fungi)

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Response surface and contour map of the influence of the interaction of various factors on the content of triterpenoids. (A–C) Two-factor interactive contour maps and (D–F) two-factor interactive 3D maps. Full article ">Figure 2
Effect of the ethanol extract of G42 on serum marker enzymes and oxidative stress level in the liver of acute liver injury caused by CCl4. (A) ALT and AST and (B) SOD level. (C) GSH and (D) MDA. The results are shown as mean ± SD. Different letters above each bar in the same parameter indicate a significant difference (p < 0.05) (n = 5). Full article ">Figure 3
Effect of the ethanol extract of G42 on histopathological changes of liver and spleen caused by CCl4. (A) Liver and (B) spleen. (Scale bar: 50 μm; magnification: 400×). Full article ">Figure 4
Effect of the ethanol extract of G42 on production of pro-inflammatory cytokines in liver determined using ELISA. (A) IL-10, IL-1β, and IFN-β levels in liver tissues, (B) IL-2, IL-8, and TNF-α levels in liver tissues. Different letters above each bar in the same parameter indicate the significant difference (p < 0.05) (n = 5). Full article ">Figure 5
(A) Immunohistochemical results of hepatic IL-Iβ, NRF2, p-NF-κB p65 in acute liver injury mice (magnification 200×); (B) Quantitative analysis results, the same letter indicates no significant difference between groups (p > 0.05); the different letters indicate significant difference between groups (p < 0.05). Full article ">Figure 6
OUPLC–Q–TOF/MS chromatograms and annotation of the molecular networking. (A) OUPLC–Q–TOF/MS chromatograms of rice. (B) UPLC–Q–TOF/MS chromatograms of G42. (C) Three unique triterpenoids components in G42. The compound 1 is platycodigenin, reserve time is 17.80 ± 0.1, the molecular weight is C30H48O7, and the molecular weight is 520.3400. The compound 2 is cucurbitacin IIb, reserve time is 18.56 ± 0.1, the molecular weight is C30H48O7, and the molecular weight is 520.3400. The compound 3 is ganolucidic acid B, reserve time is 22.59 ± 0.1, the molecular weight is C30H46O6, and the molecular weight is 502.3294. (D) Molecular network of the tested samples, in which red represents components of the rice extract, blue represents components of the G42 extract, and yellow represents significantly varied components. The area of different colors represents the relative content of node components in different samples. Full article ">

21 pages, 1801 KiB

Open AccessArticle

Phytochemical Screening, Anti-Inflammatory, and Antidiabetic Activities of Different Extracts from Caralluma edulis Plant

by Maria Khan, Zahid Manzoor, Muhammad Rafiq, Shaukat Hussain Munawar, Muhammad Yasir Waqas, Hamid Majeed, Syed Zahid Ali Shah, Riaz Hussain, Hafiz Iftikhar Hussain, Tehreem Tahir, Katarzyna Kotwica-Mojzych and Mariusz Mojzych

Molecules 2022, 27(16), 5346; https://doi.org/10.3390/molecules27165346 - 22 Aug 2022

Cited by 7 | Viewed by 3379

Abstract

The plant Caralluma edulis is traditionally used against diabetes and inflammatory conditions in Pakistan. This study was designed to provide scientific validation of the traditional use of Caralluma edulis. Phytochemicals were extracted from the plant by different solvents (distilled water, methanol, ethanol, [...] Read more.

The plant Caralluma edulis is traditionally used against diabetes and inflammatory conditions in Pakistan. This study was designed to provide scientific validation of the traditional use of Caralluma edulis. Phytochemicals were extracted from the plant by different solvents (distilled water, methanol, ethanol, and acetone) using the Soxhlet’s extraction method. Bioactive compounds were detected by gas chromatography–mass spectrometry (GC-MS). The in vitro anti-inflammatory activities (albumin denaturation, membrane stabilization, and proteinase inhibition) and antioxidant capacity (DPPH scavenging activity, FRAP reducing activity) of different extracts from Caralluma edulis were assessed. The antidiabetic potential of Caralluma edulis plant extracts was determined in acute and subacute diabetic rabbit models. Oxidative stress and enzymatic antioxidant status were also estimated in MDA, CAT, and SOD levels. Results showed that the methanol extract yielded the highest contents of phenolics, flavonoids, alkaloids, and terpenoids. The in vitro anti-inflammatory activity and antioxidant potential of the methanol extract were the highest among the tested solvents. The tested extracts did not show any remarkable antidiabetic activity in the acute diabetic model. However, all tested extracts demonstrated antidiabetic potential in the subacute diabetic model. No adverse effect was observed at the tested dose (200 mg/kg) of Caralluma edulis extracts in experimental animals. It is concluded that methanol is the key solvent for extracting bioactive compounds from Caralluma edulis. The plant can be used against inflammatory disorders and may prove a potential candidate for drug development. Long-term use of Caralluma edulis at the tested dose (200 mg/kg) showed antidiabetic properties in the animal model. Full article

(This article belongs to the Special Issue Bioactive Natural Compounds: Isolation, Analysis and Evaluation)

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GC-MS chromatogram of methanolic extract of Caralluma edulis plant. Full article ">Figure 2
Extraction yield of Caralluma edulis using different solvents. All values are the mean ± SD (n = 3). Means of a column with different letters significantly differ by Tukey’s test at p < 0.01. Full article ">Figure 3
The 50% inhibitory concentration (IC50) values of DPPH scavenging activity of different Caralluma edulis extracts. All values are the mean ± SD (n = 3). Means of a column with different letters significantly differ by Tukey’s test at p < 0.05. Full article ">Figure 4
Photographs of the liver tissues from different groups (20×, H&E): (a) control; (b) Glibenclamide (5 mg/kg) reference drug groups; (c) Caralluma edulis water extract (200 mg/kg); (d) Caralluma edulis methanol extract (200 mg/kg); (e) Caralluma edulis ethanol extract (200 mg/kg); (f) Caralluma edulis acetone extract (200 mg/kg). Full article ">

15 pages, 4206 KiB

Open AccessArticle

A Novel Potent Crystalline Chitin Decomposer: Chitin Deacetylase from Acinetobacter schindleri MCDA01

by Guang Yang, Yuhan Wang, Yaowei Fang, Jia An, Xiaoyue Hou, Jing Lu, Rongjun Zhu and Shu Liu

Molecules 2022, 27(16), 5345; https://doi.org/10.3390/molecules27165345 - 22 Aug 2022

Cited by 12 | Viewed by 2712

Abstract

Chitosan is a functional ingredient that is widely used in food chemistry as an emulsifier, flocculant, antioxidant, or preservative. Chitin deacetylases (CDAs) can catalyze the hydrolysis of acetyl groups, making them useful in the clean production of chitosan. However, the high inactivity of [...] Read more.

Chitosan is a functional ingredient that is widely used in food chemistry as an emulsifier, flocculant, antioxidant, or preservative. Chitin deacetylases (CDAs) can catalyze the hydrolysis of acetyl groups, making them useful in the clean production of chitosan. However, the high inactivity of crystalline chitin catalyzed by CDAs has been regarded as the technical bottleneck of crystalline chitin deacetylation. Here, we mined the AsCDA gene from the genome of Acinetobacter schindleri MCDA01 and identified a member of the uraD_N-term-dom superfamily, which was a novel chitin deacetylase with the highest deacetylation activity. The AsCDA gene was expressed in Escherichia coli BL21 by IPTG induction, whose activity to colloidal chitin, α-chitin, and β-chitin reached 478.96 U/mg, 397.07 U/mg, and 133.27 U/mg, respectively. In 12 h, the enzymatic hydrolysis of AsCDA removed 63.05% of the acetyl groups from α-chitin to prepare industrial chitosan with a degree of deacetylation higher than 85%. AsCDA, as a potent chitin decomposer in the production of chitosan, plays a positive role in the upgrading of the chitosan industry and the value-added utilization of chitin biological resources. Full article

(This article belongs to the Special Issue Enzymes Applied in Biomedicine, Cosmetic, and Food Chemistry)

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Genome analysis of Acinetobacter schindleri MCDA01: (A) Histogram showing the distribution of Gene Ontology (GO) terms; (B) Eucaryotic Orthologous Groups (COG) functional gene classification; (C) The Kyoto Encyclopedia of Genes and Genomes (KEGG) function annotation; (D) Carbohydrate-Active Enzymes (CAZy) family distribution map. Full article ">Figure 2
Comparative genome analysis of Acinetobacter schindleri MCDA01, Acinetobacter schindleri CIP107287, Acinetobacter schindleri ACE, Bacillus anthracis Ames, and Bacillus cereus ATCC14579: (A) similarity relations of genomes between four strains; (B) unique genes of the genomes of four strains; (C) KEGG pathway classification of these unique genes from the genome of Acinetobacter schindleri MCDA01. Full article ">Figure 3
Bioinformatics analysis of AsCDA: (A) phylogenetic analysis of neighbor-joining phylogenetic tree; (B) multiple amino acid sequence alignment: the metal binding triads are indicated with blue triangles; the catalytic base and catalytic acid are indicated with red rectangles and green rectangles, respectively. Full article ">Figure 4
Purification and characterization of the recombinant protein AsCDA from Acinetobacter schindleri MCDA01: (A) heterologous expression and purification of AsCDA were analyzed by SDS-PAGE on a 12% gel after Coomassie brilliant blue R-250 staining; (B) specific activity of purified AsCDA to colloidal chitin, α-chitin, and β-chitin. Lane M, proteins marker with standard molecular Masses; lane 1, negative control (empty vector pET-28a); lane 2, Fermentation supernatant from Escherichia coli BL21 containing expression vector pET28a-AsCDA induced with IPTG; lane 3, insoluble phase of cellular extracts from Escherichia coli BL21 containing expression vector pET28a-AsCDA induced with IPTG; lane 4, soluble phase of cellular extracts from Escherichia coli BL21 containing expression vector pET28a-AsCDA induced with IPTG; lane 5, effluent fractions when all proteins were washed clean with elution 80 mM imidazole conc; lane 6, purified AsCDA with elution 300 mM imidazole. Full article ">Figure 5
SEM images of untreated chitin, chitin treated by AsCDA, and chitosan with magnificent ×20,000 times, ×10,000 times, and ×5000 times. Full article ">Figure 6
FT-IR spectra and determination of the degree of deacetylation of chitosan (black), AsCDA treated chitin (red) and chitin (green): (A) FT-IR spectra; (B) determination of the degree of deacetylation. Full article ">Figure 7
Simplified diagram of AsCDA to catalyze crystalline chitin deacetylation to prepare chitosan. Full article ">

36 pages, 1972 KiB

Open AccessReview

The Genus Broussonetia: An Updated Review of Phytochemistry, Pharmacology and Applications

by Yueru Chen, Lu Wang, Xue Liu, Fulin Wang, Ying An, Wei Zhao, Jinli Tian, Degang Kong, Wenru Zhang, Yang Xu, Yahui Ba and Honglei Zhou

Molecules 2022, 27(16), 5344; https://doi.org/10.3390/molecules27165344 - 22 Aug 2022

Cited by 13 | Viewed by 4547

Abstract

The Broussonetia genus (Moraceae), recognized for its value in many Chinese traditional herbs, mainly includes Broussonetia papyrifera (L.) L’Hér. ex Vent. (BP), Broussonetia kazinoki Siebold (BK), and Broussonetia luzonica (Blanco) Bureau (BL). Hitherto, researchers have found 338 [...] Read more.

The Broussonetia genus (Moraceae), recognized for its value in many Chinese traditional herbs, mainly includes Broussonetia papyrifera (L.) L’Hér. ex Vent. (BP), Broussonetia kazinoki Siebold (BK), and Broussonetia luzonica (Blanco) Bureau (BL). Hitherto, researchers have found 338 compounds isolated from BP, BK, and BL, which included flavonoids, polyphenols, phenylpropanoids, alkaloids, terpenoids, steroids, and others. Moreover, its active compounds and extracts have exhibited a variety of pharmacological effects such as antitumor, antioxidant, anti-inflammatory, antidiabetic, anti-obesity, antibacterial, and antiviral properties, and its use against skin wrinkles. In this review, the phytochemistry and pharmacology of Broussonetia are updated systematically, after its applications are first summarized. In addition, this review also discusses the limitations of investigations and the potential direction of Broussonetia. This review can help to further understand the phytochemistry, pharmacology, and other applications of Broussonetia, which paves the way for future research. Full article

(This article belongs to the Section Natural Products Chemistry)

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17 pages, 3310 KiB

Open AccessArticle

Photo-Assisted Removal of Rhodamine B and Nile Blue Dyes from Water Using CuO–SiO₂ Composite

by Muhammad Yaseen, Muhammad Humayun, Abbas Khan, Muhammad Idrees, Nasrullah Shah and Shaista Bibi

Molecules 2022, 27(16), 5343; https://doi.org/10.3390/molecules27165343 - 22 Aug 2022

Cited by 20 | Viewed by 3310 | Correction

Abstract

Wastewater from the textile industries contaminates the natural water and affects the aquatic environment, soil fertility and biological ecosystem through discharge of different hazardous effluents. Therefore, it is essential to remove such dissolved toxic materials from water by applying more efficient techniques. We [...] Read more.

Wastewater from the textile industries contaminates the natural water and affects the aquatic environment, soil fertility and biological ecosystem through discharge of different hazardous effluents. Therefore, it is essential to remove such dissolved toxic materials from water by applying more efficient techniques. We performed a comparative study on the removal of rhodamine B (RhB) and Nile blue (NB) from water through a catalytic/photocatalytic approach while using a CuO–SiO₂ based nanocomposite. The CuO–SiO₂ nanocomposite was synthesized through a sol–gel process using copper nitrate dihydrate and tetraethylorthosilicate as CuO and SiO₂ precursors, respectively, with ammonia solution as the precipitating agent. The synthesized nanocomposites were characterized, for their structure, morphology, crystallinity, stability, surface area, pore size and pore volume, by using a scanning electron microscope (SEM), transmission electron microscope (TEM), energy dispersive X-ray spectroscopy (EDX), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR) and Brunauer–Emmett–Teller (BET) techniques. The CuO–SiO₂ nanocomposite was used for potential environmental applications in the terms of its catalytic and photocatalytic activities toward the degradation of rhodamine B (RhB) and Nile blue (NB) dyes, in the presence and absence of light, while monitoring the degradation process of dyes by UV-Visible spectroscopy. The catalytic efficiency of the same composite was studied and discussed in terms of changes in the chemical structures of dyes and other experimental conditions, such as the presence and absence of light. Moreover, the composite showed 85% and 90% efficiency towards the removal of rhodamine B and Nile blue dyes respectively. Thus, the CuO–SiO₂ nanocomposite showed better efficiency toward removal of Nile blue as compared to rhodamine B dye while keeping other experimental variables constant. This can be attributed to the structure–property relationships and compatibility of a catalyst with the molecular structures of dyes. Full article

(This article belongs to the Special Issue Application of Green Catalysts in Industrial and Environmental Processes)

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11 pages, 1872 KiB

Open AccessArticle

Photocatalytic Isomerization of (E)-Anethole to (Z)-Anethole

by Marvin Korff, Tiffany O. Paulisch, Frank Glorius, Nikos L. Doltsinis and Bernhard Wünsch

Molecules 2022, 27(16), 5342; https://doi.org/10.3390/molecules27165342 - 22 Aug 2022

Cited by 7 | Viewed by 2947

Abstract

Natural product (E)-anethole was isomerized to (Z)-anethole in a photocatalytic reaction. For this purpose, a self-designed cheap photoreactor was constructed. Among 11 photosensitizers (organo and metal complex compounds), Ir(p-tBu-ppy)₃ led to the highest conversion. Triplet energies [...] Read more.

Natural product (E)-anethole was isomerized to (Z)-anethole in a photocatalytic reaction. For this purpose, a self-designed cheap photoreactor was constructed. Among 11 photosensitizers (organo and metal complex compounds), Ir(p-tBu-ppy)₃ led to the highest conversion. Triplet energies of (E)- and (Z)-anethole were predicted theoretically by DFT calculations to support the selection of appropriate photosensitizers. A catalyst loading of 0.1 mol% gave up to 90% conversion in gram scale. Further additives were not required and mild irradiation with light of 400 nm overnight was sufficient. As a proof of concept, (E)- and (Z)-anethole were dihydroxylated diastereoselectively to obtain diastereomerically pure like- and unlike-configured diols, respectively. Full article

(This article belongs to the Topic Organocatalysis and Transition-Metal Catalysis: Key Trends in Synthetic Chemistry and Challenges)

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Energy transfer mechanism from a photosensitizer to a substrate in the photocatalyzed (E)-/(Z)-isomerization. (A): (a) The photosensitizer is excited by irradiation of light from the singlet ground state S0 into the S1 state; (b) the sensitizer relaxes from higher vibrational/rotational S1 states to the lowest S1 state; (c) ISC from S1 state to T1 state; (d) upon collision of the photosensitizer with the substrate, energy from the catalyst is transferred to the substrate in a coupled transition. (B) “Dexter Energy Transfer”: upon collision, an electron (sphere) in the T1 state of the sensitizer is transferred in the T1 state of the substrate, while an electron of the S0 state of the substrate is transferred to the S0 state of the sensitizer, yielding a relaxed sensitizer and an excited substrate. Full article ">Figure 2
(A) Mechanism of (E)- to (Z)-isomerization of anethole. By energy transfer of the excited photosensitizer (PS*), (E)-anethole is excited to the T1 state and reaches the global energy minimum by rotation about the former C=C double bond. Intersystem crossing (ISC) leads to the global maximum of the S0 state. Relaxation can now occur either to (E)- or (Z)-anethole. The backwards reaction from (Z)- to (E)-anethole occurs analogously. (B) The ratio of (E)-anethole: (Z)-anethole in the photostationary state is dependent on the ratio of spectral overlap (J) of photosensitizer with (E)-anethole (green area + green/orange striped area) to overlap of photosensitizer with (Z)-anethole (green/orange striped area). Full article ">Figure 3
Examples of approved drugs with a 1,2-disubstituted phenylalkane motif (orange). Full article ">Scheme 1
Diastereoselective Upjohn dihydroxylation of (E)-anethole and (Z)-anethole yielding like- and unlike-configured diols like-2 and unlike-2. Full article ">

14 pages, 3246 KiB

Open AccessArticle

Biophysical Characterization of the Interaction between a Transport Human Plasma Protein and the 5,10,15,20-Tetra(pyridine-4-yl)porphyrin

by Otávio Augusto Chaves, Bernardo A. Iglesias and Carlos Serpa

Molecules 2022, 27(16), 5341; https://doi.org/10.3390/molecules27165341 - 22 Aug 2022

Cited by 22 | Viewed by 1998

Abstract

The interaction between human serum albumin (HSA) and the non-charged synthetic photosensitizer 5,10,15,20-tetra(pyridine-4-yl)porphyrin (4-TPyP) was evaluated by in vitro assays under physiological conditions using spectroscopic techniques (UV-vis, circular dichroism, steady-state, time-resolved, synchronous, and 3D-fluorescence) combined with in silico calculations by molecular docking. The [...] Read more.

The interaction between human serum albumin (HSA) and the non-charged synthetic photosensitizer 5,10,15,20-tetra(pyridine-4-yl)porphyrin (4-TPyP) was evaluated by in vitro assays under physiological conditions using spectroscopic techniques (UV-vis, circular dichroism, steady-state, time-resolved, synchronous, and 3D-fluorescence) combined with in silico calculations by molecular docking. The UV-vis and steady-state fluorescence parameters indicated a ground-state association between HSA and 4-TPyP and the absence of any dynamic fluorescence quenching was confirmed by the same average fluorescence lifetime for HSA without (4.76 ± 0.11 ns) and with 4-TPyP (4.79 ± 0.14 ns). Therefore, the Stern–Volmer quenching (K_SV) constant reflects the binding affinity, indicating a moderate interaction (10⁴ M⁻¹) being spontaneous (ΔG°= -25.0 kJ/mol at 296 K), enthalpically (ΔH° = -9.31 ± 1.34 kJ/mol), and entropically (ΔS° = 52.9 ± 4.4 J/molK) driven. Binding causes only a very weak perturbation on the secondary structure of albumin. There is just one main binding site in HSA for 4-TPyP (n ≈ 1.0), probably into the subdomain IIA (site I), where the Trp-214 residue can be found. The microenvironment around this fluorophore seems not to be perturbed even with 4-TPyP interacting via hydrogen bonding and van der Waals forces with the amino acid residues in the subdomain IIA. Full article

(This article belongs to the Special Issue Porphyrin-Based Compounds: Synthesis and Application)

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Chemical structure for 5,10,15,20-tetra(pyridine-4-yl)porphyrin. Full article ">Figure 2
(A) UV-vis spectra for HSA (black line, 1.0 × 10−5 M), 4-TPyP (green line, 1.32 × 10−5 M), HSA:4-TPyP (red line), and mathematical subtraction (HSA:4-TPyP) – (4-TPyP) (blue line) in PBS solution (pH = 7.4) at 310 K. (B) Steady-state fluorescence emission spectra for HSA without and upon successive additions of 4-TPyP at 310 K (λexc = 280 nm). (C) Stern–Volmer plots for the interaction HSA:4-TPyP corresponding to the steady-state fluorescence data at three different temperatures. (D) Van’t Hoff plot based on KSV values for HSA:4-TPyP. (E) Double logarithmic plots for the interaction HSA:4-TPyP at three different temperatures. The r2 in each plot is the coefficient of determination. [HSA] = 1.0 × 10−5 M and [4-TPyP] = 0.17, 0.33, 0.50, 0.66, 0.83, 0.99, 1.15, and 1.32 × 10−5 M. Full article ">Figure 3
Time-resolved fluorescence decays for HSA without and with 4-TPyP at pH = 7.4 and 296 K using an electrically pumped laser (EPL) with an excitation wavelength of 280 ± 10 nm, pulse width of 850 ps, and a typical average power of 1.8 µW/pulse, monitoring emission at 340 nm. The residuals correspond to the bi-exponential treatment. [HSA] = 1.0 × 10−5 M and [4-TPyP] = 1.32 × 10−5 M. Full article ">Figure 4
The SF spectra of HSA without and upon successive additions of 4-TPyP at (A) Δλ = 15 nm and (B) Δλ = 60 nm in pH = 7.4 at room temperature. [HSA] = 1.0 × 10−5 M and [4-TPyP] = 0.17, 0.33, 0.50, 0.66, 0.83, 0.99, 1.15, and 1.32 × 10−5 M. Full article ">Figure 5
(A) Far-UV CD spectra for HSA without and with 4-TPyP in PBS (pH 7.4) at 310K. (B) Secondary structure content for HSA without and with 4-TPyP determined by the online server BestSel (Beta Structure Selection <a href="http://bestsel.elte.hu/index.php" target="_blank">http://bestsel.elte.hu/index.php</a> (accessed on 2 June 2022)). [HSA] = 1.0 × 10−6 M and [4-TPyP] = 1.32 × 10−5 M. Full article ">Figure 6
The 3D-fluorescence spectra and the corresponding contour maps for (A,A’) HSA and (B,B’) HSA:4-TPyP in pH = 7.4 at room temperature. [HSA] = 1.0 × 10−6 M and [4-TPyP] = 1.32 × 10−6 M. Full article ">Figure 7
Superposition of molecular docking results for the interaction HSA:4-TPyP into subdomains IIA and IB (sites I and III, respectively) in terms of (A) cartoon representation and (B) electrostatic potential map for albumin (blue and red for positive and negative electrostatic density, respectively). (C) The main amino acid residues that interact with 4-TPyP into site I. Selected amino acid residues and 4-TPyP are represented as sticks in cyan and pink, respectively. Elements’ color: hydrogen, nitrogen, and oxygen in white, dark blue, and red, respectively. Full article ">

14 pages, 4993 KiB

Open AccessArticle

Remediation of Soil Mercury by Modified Vermiculite-Montmorillonite and Its Effect on the Growth of Brassica chinensis L.

by Chang Li, Yuchen Li, Hua Cheng, Chunlu Jiang and Liugen Zheng

Molecules 2022, 27(16), 5340; https://doi.org/10.3390/molecules27165340 - 22 Aug 2022

Cited by 6 | Viewed by 1940

Abstract

In this study, the surface of vermiculite-montmorillonite was modified by MnO₂ loading. The modified vermiculite-montmorillonite was added to remediate the potentially toxic trace element (PTE) Hg present in soil containing coal gangue. Pot experiments were conducted to analyze and compare the pH [...] Read more.

In this study, the surface of vermiculite-montmorillonite was modified by MnO₂ loading. The modified vermiculite-montmorillonite was added to remediate the potentially toxic trace element (PTE) Hg present in soil containing coal gangue. Pot experiments were conducted to analyze and compare the pH values, Hg contents and Hg species present in coal gangue-containing soil, with and without the modified materials added, to determine whether the addition of modified materials had an effect on the growth of Brassica chinensis L. Results showed that with the addition of 35 g·kg⁻¹ modified vermiculite-montmorillonite, the pH of soil increased by a value of 0.79, compared with that in the control group. When 15 g·kg⁻¹ was added, the concentration of Hg in soil decreased by 98.2%. The addition of modified materials promoted the transformation of Hg in soil from a bioavailable form to an unavailable form; that is, the content of the residual form increased. The plant height and biomass of Brassica chinensis L. also increased, which indicated that the addition of modifiers can increase soil productivity, reduce the effects of PTEs on organisms in soil, and promote plant growth. Therefore, the addition of modified vermiculite-montmorillonite can achieve remediation of coal gangue-containing soil. Full article

(This article belongs to the Special Issue Molecular Structure of Minerals)

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pH values of different groups of soil. (MVM: modified vermiculite-montmorillonite). Different letters above the bar diagram indicate the significant difference of pH in different gruops of soil. The same letters indicate significant differences in means (p < 0.05). Full article ">Figure 2
Mercury content of soil modified by different materials, and with different manganese dioxide concentrations. Full article ">Figure 3
Mercury content of plants modified by different materials, and with different manganese dioxide concentrations. Full article ">Figure 4
Speciation of mercury in soil modified by different materials, and by different manganese dioxide concentrations. Full article ">Figure 5
Plant height of different groups of vegetables. (* indicates values significant at p < 0.05). Different letters above the bar diagram indicate the significant difference of fresh weight of shoot in different groups of soil. Full article ">Figure 6
Fresh weight of stems and leaves of different groups of vegetables. (* indicates values significant at p < 0.05). Different letters above the bar diagram indicate the significant difference of fresh weight of shoot in different groups of soil. Full article ">Figure 7
Root fresh weight of different groups of vegetables. (* indicates values significant at p < 0.05). Different letters above the bar diagram indicate the significant difference of fresh weight of shoot in different groups of soil. Full article ">

14 pages, 674 KiB

Open AccessArticle

Pitahaya Peel: A By-Product with Great Phytochemical Potential, Biological Activity, and Functional Application

by Sandra N. Jimenez-Garcia, Lina Garcia-Mier, Xóchitl S. Ramirez-Gomez, Humberto Aguirre-Becerra, Alexandro Escobar-Ortiz, Luis M. Contreras-Medina, Juan F. Garcia-Trejo and Ana A. Feregrino-Perez

Molecules 2022, 27(16), 5339; https://doi.org/10.3390/molecules27165339 - 22 Aug 2022

Cited by 12 | Viewed by 3348

Abstract

Hylocereus spp. present two varieties of commercial interest due to their color, organoleptic characteristics, and nutritional contribution, such as Hylocerous polyrhizus and Selenicerus undatus. The fruit recognized as dragon fruit or Pitahaya is an exotic fruit whose pulp is consumed, while the [...] Read more.

Hylocereus spp. present two varieties of commercial interest due to their color, organoleptic characteristics, and nutritional contribution, such as Hylocerous polyrhizus and Selenicerus undatus. The fruit recognized as dragon fruit or Pitahaya is an exotic fruit whose pulp is consumed, while the peel is discarded during the process. Studies indicate that the pulp has vitamin C and betalains, and seeds are rich in essential fatty acids, compounds that can contribute to the prevention of chronic non-communicable diseases (cancer, hypertension, and diabetes). In the present study, polyphenolic compounds, biological activity, and fatty acids present in the peel of the two varieties of pitahaya peel were evaluated, showing as a result that the variety S. undatus had higher antioxidant activity with 51% related to the presence of flavonoids 357 mgRE/g sample and fatty acids (hexadecanoic acid and linoleate) with 0.310 and 0.248 mg AG/g sample, respectively. On the other hand, H. polyrhizuun showed a significant difference in the inhibitory activity of amylase and glucosidase enzymes with 68% and 67%, respectively. We conclude that pitahaya peel has potential health effects and demonstrate that methylated fatty acids could be precursors to betalain formation, as well as showing effects against senescence and as a biological control against insects; in the same way, the peel can be reused as a by-product for the extraction of important enzymes in the pharmaceutical and food industry. Full article

(This article belongs to the Special Issue Natural Polyphenols: Isolation, Characterization and Health Benefits)

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10 pages, 2627 KiB

Open AccessArticle

CRISPR/Cas12a Coupling with Magnetic Nanoparticles and Cascaded Strand Displacement Reaction for Ultrasensitive Fluorescence Determination of Exosomal miR-21

by Qing Liu, Jingjian Liu, Na He, Moli Zhang, Lun Wu, Xiyu Chen, Jun Zhu, Fengying Ran, Qinhua Chen and Hua Zhang

Molecules 2022, 27(16), 5338; https://doi.org/10.3390/molecules27165338 - 22 Aug 2022

Cited by 12 | Viewed by 2826

Abstract

Exosomal MicroRNA-21 (miRNA-21, miR-21) is significantly up-regulated in blood samples of patients with lung cancer. Exosomal-derived miR-21 can be used as a promising biomarker for the early diagnosis of lung cancer. This paper develops a fluorescent biosensor based on the combination of magnetic [...] Read more.

Exosomal MicroRNA-21 (miRNA-21, miR-21) is significantly up-regulated in blood samples of patients with lung cancer. Exosomal-derived miR-21 can be used as a promising biomarker for the early diagnosis of lung cancer. This paper develops a fluorescent biosensor based on the combination of magnetic nanoparticles (MNPs), cascade strand displacement reaction (CSDR) and CRISPR/Cas12a to detect the exosomal miR-21 from lung cancer. The powerful separation performance of MNPs can eliminate the potential interference of matrix and reduce the background signal, which is very beneficial for the improvement of specificity and sensitivity. The CSDR can specifically transform one miR-21 into plenty of DNA which can specifically trigger the trans-cleavage nuclease activity of Cas12a, resulting in the cleavage of ssDNA bi-labeled with fluorescent and a quencher. Under the optimized experimental conditions, the developed fluorescence biosensor exhibited high sensitivity and specificity towards the determination of exosomal-derived miR-21 with a linear range from 10 to 1 × 10⁵ fM and a low detection limit of about 0.89 fM. Most importantly, this method can be successfully applied to distinguish the exosomal miR-21 from the lung cancer patients and the healthy people. Full article

(This article belongs to the Special Issue Fluorescence Detection of Biomolecules)

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Sequences of nucleic acid used in the experiment. Full article ">Figure 2
Schematic illustration of fluorescent biosensor for ultrasensitive fluorescence determination of exosomal miR-21 by CRISPR/Cas12a coupling with MNPs and CSDR. Full article ">Figure 3
Characterization of exosomes: (a) TEM image of exosomes; (b) NTA analysis of exosomes. Full article ">Figure 4
Effects of (a) concentration of MNPs; (b) reaction time of SDR; (c) concentration of P1; (d) concentration of P4; (e) concentration of Cas12a; (f) reaction time of Cas12a; (g) concentration of ssDNA-FQ probe. (Error bars: SD, n = 3). Full article ">Figure 5
(a) Fluorescence emission spectra of the biosensor in the presence of miR-21 with different concentrations (0, 1 fM,10 fM, 100 fM, 1 pM, 10 pM, 100 pM, 1 nM); (b) fluorescence intensity as a function of miR-21 concentration. Error bars: SD, n = 3. Full article ">Figure 6
Fluorescence intensity of the fluorescent biosensor in the presence of exosomal miR-21 (1 pM), SM (single-base mismatch, 10 pM), DM (double-base mismatch, 10 pM), TM (triple-base mismatch, 10 pM), random (10 pM), and blank, respectively. (Error bars: SD, n = 3). Full article ">Figure 7
(a) A fluorescence biosensor for the detection of exosomal miR-21 from lung cancer patients and normal people (**** p < 0.0001) (error bars: SD, n = 10). (b) The expression of exosomal miR-21 was detected by the fluorescence biosensor and RT-qPCR, respectively (error bars: SD, n = 3). Full article ">

9 pages, 2648 KiB

Open AccessArticle

Renieramycin T Inhibits Melanoma B16F10 Cell Metastasis and Invasion via Regulating Nrf2 and STAT3 Signaling Pathways

by Baohua Yu, Jing Liang, Xiufang Li, Li Liu, Jing Yao, Xiaochuan Chen and Ruijiao Chen

Molecules 2022, 27(16), 5337; https://doi.org/10.3390/molecules27165337 - 22 Aug 2022

Cited by 7 | Viewed by 2175

Abstract

As one of marine tetrahydroisoquinoline alkaloids, renieramycin T plays a significant role in inhibiting tumor metastasis and invasion. However, the effect of renieramycin T on inflammation-related tumor metastasis and invasion is still unknown, and its mechanisms remain unclear. Here we established an inflammation-related [...] Read more.

As one of marine tetrahydroisoquinoline alkaloids, renieramycin T plays a significant role in inhibiting tumor metastasis and invasion. However, the effect of renieramycin T on inflammation-related tumor metastasis and invasion is still unknown, and its mechanisms remain unclear. Here we established an inflammation-related tumor model by using the supernatant of RAW264.7 cells to simulate B16F10 mouse melanoma cells. The results indicate that renieramycin T suppressed RAW264.7 cell supernatant-reduced B16F10 cell adhesion to a fibronectin-coated substrate, migration, and invasion through the matrigel in a concentration-dependent manner. Moreover, Western blot results reveal that renieramycin T attenuated the phosphorylation of STAT3 and down-regulated the expression of Nrf2. Together, the above findings suggest a model of renieramycin T in suppressing B16F10 cancer cell migration and invasion. It may serve as a promising drug for the treatment of cancer metastasis. Full article

(This article belongs to the Section Chemical Biology)

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The structure and proliferation effects of renieramycin T (RT) were shown. (A) The structure of renieramycin T (RT) is shown. (B) RT had no effect on cell proliferation of B16F10 cells in the microenvironment. Full article ">Figure 2
Effect of RT on B16F10 migration in tumor microenvironment. (A) Images of cell migration in each group within 48 h of scratch in wound healing experiment; (B) Statistics of wound healing area of B16F10 cells (** p < 0.01, *** p < 0.001). (C) Images of groups of cells passing through pores in the Transwell experiment; (D) Statistics on the number of B16F10 invaded cells (* p < 0.05, ** p < 0.01, *** p < 0.001). Full article ">Figure 3
RT inhibits the expression of B16F10 tumor metastasis-related genes. (A–F) Quantitative analyses of twist, snail, vimentin, and N-cadherin mRNA in B16F10 treated with RT for 48 h at the control and conditioned cells. (G) Western blotting was performed to check the expression of twist, snail, vimentin, and N-cadherin in B16F10 treated with RT for 48 h at the control and conditioned cells. (n = 3, * p < 0.05, ** p < 0.01, *** p < 0.001, **** p < 0.0001). Full article ">Figure 4
RT repressed the phosphorylation of STAT3 and down-regulated the expression Nrf2 in B16F10 cells. (A) The expression of STAT3, p-STAT3, and Nrf2 proteins were detected by WB assay; (B–D) The relative expression level of p-STAT3, STAT3, and Nrf2 proteins were analyzed in the B16F10 (* p < 0.05, ** p < 0.01); (E,F) The relative expression of STAT3 and Nrf2 were detected by qRT-PCR (* p < 0.05, ** p < 0.01, *** p < 0.001). Full article ">Figure 5
Proposed model of RT suppresses B16F10 cell migration and invasion. Full article ">

18 pages, 4733 KiB

Open AccessArticle

MOBT Alleviates Pulmonary Fibrosis through an lncITPF–hnRNP-l-Complex-Mediated Signaling Pathway

by Pan Xu, Haitong Zhang, Huangting Li, Bo Liu, Rongrong Li, Jinjin Zhang, Xiaodong Song, Changjun Lv, Hongbo Li and Mingwei Chen

Molecules 2022, 27(16), 5336; https://doi.org/10.3390/molecules27165336 - 22 Aug 2022

Cited by 3 | Viewed by 2402

Abstract

Pulmonary fibrosis is characterized by the destruction of alveolar architecture and the irreversible scarring of lung parenchyma, with few therapeutic options and effective therapeutic drugs. Here, we demonstrate the anti-pulmonary fibrosis of 3-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl(αS)-α,3,4-trihydroxybenzenepropanoate (MOBT) in mice and a cell model induced [...] Read more.

Pulmonary fibrosis is characterized by the destruction of alveolar architecture and the irreversible scarring of lung parenchyma, with few therapeutic options and effective therapeutic drugs. Here, we demonstrate the anti-pulmonary fibrosis of 3-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl(αS)-α,3,4-trihydroxybenzenepropanoate (MOBT) in mice and a cell model induced by bleomycin and transforming growth factor-β1. The anti-pulmonary fibrosis of MOBT was evaluated using a MicroCT imaging system for small animals, lung function analysis and H&E and Masson staining. The results of RNA fluorescence in situ hybridization, chromatin immunoprecipitation (ChIP)-PCR, RNA immunoprecipitation, ChIP-seq, RNA-seq, and half-life experiments demonstrated the anti-pulmonary fibrotic mechanism. Mechanistic dissection showed that MOBT inhibited lncITPF transcription by preventing p-Smad2/3 translocation from the cytoplasm to the nucleus, resulting in a reduction in the amount of the lncITPF–hnRNP L complex. The decreased lncITPF–hnRNP L complex reduced MEF2c expression by blocking its alternative splicing, which in turn inhibited the expression of MEF2c target genes, such as TAGLN2 and FMN1. Briefly, MOBT alleviated pulmonary fibrosis through the lncITPF–hnRNP-l-complex-targeted MEF2c signaling pathway. We hope that this study will provide not only a new drug candidate but also a novel therapeutic drug target, which will bring new treatment strategies for pulmonary fibrosis. Full article

(This article belongs to the Special Issue Deep Sequencing in the Human Health)

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Graphical abstract
Full article ">Figure 1
MOBT alleviated pulmonary fibrosis in vivo. (A) Molecular formula of MOBT and schematic illustration of MOBT administrated into mice. (B) The MicroCT imaging system for small animals displayed that the plain scan of the lung window in the sham group showed the texture of both lungs was clear, and no exudation or space occupying lesions were found in the lung parenchyma. The MOBT alone had no obvious changes compared with the sham group. However, both lower lungs of the mice in the BLM group showed diffused reticular blurring and interstitial changes. Meanwhile, the BLM + MOBT treatment group significantly reduced the lesion range of reticular changes. (C) The body weight monitoring revealed that mouse weight in the BLM group was significantly reduced compared with the sham group, whereas in the MOBT group it was increased compared with the BLM group. (D) The result of mice lung function showed that MOBT treatment improved the FVC. (E) H&E and Masson staining demonstrated that a portion of the alveolar structure was damaged, alveolar fusion, and collagen fibers were gathered in the lung of the BLM mice compared with the sham group, whereas MOBT alone group was similar to the sham. The BLM + MOBT treatment improved the alveolar structure and attenuated collagen deposition. (F) The Western blot demonstrated that MOBT inhibited the fibrotic protein expression, including collagen I, vimentin, and α-SMA compared with those in the BLM-treated group. (G) Western blot demonstrated that MOBT inhibited the expression of TGF-β1, CTGF, and VEGF, which are cytokines related to fibrosis, compared with those in the BLM group. Each bar represents mean ± SD, n = 6, * p < 0.05. Full article ">Figure 2
MOBT treatment reduced α-SMA expression. (A) The immunofluorescence result demonstrated that the BLM group expressed abundant α-SMA compared with the sham group, whereas the MOBT treatment significantly decreased the α-SMA expression. The red color indicates α-SMA. The blue color indicates nucleus. (B) The immunohistochemical result indicated that the sham group had distinct alveolar structures and thin alveolar walls. The alveolar structure in the BLM group was disordered and had thick alveolar walls. The MOBT treatment significantly improved the lung alveolar structure and decreased α-SMA deposition. The brown color indicates α-SMA. Full article ">Figure 3
MOBT inhibited lncITPF transcription via reducing Smad2/3 phosphorylation. (A) The Western blot analysis displayed that TGF-β1 increased the expression of collagen I, vimentin, and α-SMA, whereas MOBT decreased their expression. (B) qRT-PCR was used to discover the lncITPF expression level in the normal, TGF-β1, and MOBT + TGF-β1 groups. The results demonstrated that TGF-β1 increased the lncITPF expression, whereas MOBT caused a reduction. (C) The xCELLigence real-time cell analysis (RTCA) system was used to analyze the proliferation of MRC-5 cells. Overexpression of lncITPF increased the proliferation of activated fibroblasts, similar to the TGF-β1 effect. MOBT reduced the proliferation of activated fibroblasts compared with the TGF-β1-treated group. (D) The RTCA system was used to assay the migration of MRC-5 cells. Overexpression of lncITPF increased the migration of activated fibroblasts, similar to the TGF-β1 effect. MOBT reduced the migration of activated fibroblasts compared with the TGF-β1-treated group. (E) Single-molecule RNA-FISH revealed that the lncITPF (red) was mostly located in the nucleus. MOBT treatment reduced the lncITPF expression and did not lead to its translocation from the nucleus to the cytoplasm. 18S RNAs were used as cytoplasmic localization markers. U6s were used as nuclear localization markers. DAPI was used for the staining of fixed cell DNA (blue). (F) The Western blot analysis demonstrated that MOBT inhibited Smad2/3 and p-Smad2/3 expression. (G) ChIP-PCR was used to evaluate the binding of Smad2/3 in the lncITPF promoter region under MOBT treatment. The results reflected that MOBT decreased Smad2/3 protein enrichment in the lncITPF promoter. (H) Actinomycin D rapidly decreased the expression of lncITPF, and the half-life of lncITPF was approximately 50 min. The combination of actinomycin D and TGF-β1 increased the half-life of lncITPF (120 min). Meanwhile, the combination of actinomycin D, TGF-β1, and MOBT decreased the half-life of lncITPF (105 min). Each bar represents mean ± SD, * p < 0.05. Full article ">Figure 4
MOBT blocked lung fibrogenesis via inhibiting MEF2c stability. (A) The RIP assay showed that MOBT reduced the combination of pre-mMEF2c with hnRNP L. IgG was used as a control. (B) The Western blot analysis revealed that MEF2c expression increased in the TGF-β1-treated cells for different time points. (C) The Western blot analysis showed that 10 µg/mL MOBT decreased the MEF2c expression. (D) The immunofluorescence result demonstrated that the TGF-β1 group expressed abundant MEF2c compared with the normal group, whereas the TGF-β1 + MOBT group decreased the MEF2c expression. The green color indicates MEF2c. The blue color indicates the nucleus. (E) The immunofluorescence images showed that the MEF2c expression increased in IPF patient’s lung tissues compared with the normal tissue adjacent to lung cancer. The green color indicates MEF2c. The blue color indicates the nucleus. (F) Stability testing showed that MEF2c stability was promoted by TGF-β1 and decreased by MOBT treatment. The half-life in each group was 4.36, 11.65, and 5.96 h in the normal, TGF-β1, and TGF-β1 + MOBT groups, respectively. Each bar represents mean ± SD, * p < 0.05. Full article ">Figure 5
MOBT downregulated MEF2c expression through the lncITPF–hnRNP L complex. (A) The Western blot analysis showed that lncITPF overexpression promoted the expression level of MEF2c. (B) The Western blot analysis showed that si-lncITPF reduced the expression level of MEF2c. (C) The rescue experiments discovered that overexpression of lncITPF reversed the MOBT function, resulting in the blockage of MEF2c expression. (D) The rescue experiments demonstrated that si-hnRNP L reversed the joint action of MOBT and overexpression of lncITPF, resulting in a repressed MEF2c level. NC meant the negative control, BP meant the blank plasmid, and RP meant the overexpressed lncITPF recombinant plasmid. Each bar represents mean ± SD, * p < 0.05. Full article ">Figure 6
MOBT regulated the downstream target genes of MEF2c. (A) A ChIP-seq experiment was performed to identify genes binding with MEF2c. (B) RNA-seq was performed to analyze the differentially expressed genes. (C) Combined analysis revealed a total of 76 target genes in the ChIP-seq and RNA-seq data, with 11 upregulated and 65 downregulated genes. (D) The KEGG analysis revealed that the 76 target genes regulated by MEF2c were significantly enriched in the Hippo, Wnt, and MAPK signaling pathways. (E) The 44 significant differentially expressed genes that were selected from 76 target genes and listed in the hierarchical clustering of RNA-seq. (F) The binding sites for MEF2c in the TAGLN2 and FMN1 genes were analyzed. Full article ">Figure 7
MOBT regulated TAGLN2 and FMN1 via MEF2c. (A) The qRT-PCR and RNA-seq data demonstrated that TAGLN2 and FMN1 decreased under MOBT treatment compared with those in the TGF-β1 group. (B) The RIP experiment demonstrated that MEF2c bound to TAGLN2 and FMN1. (C) The Western blot result verified that MOBT inhibited TAGLN2 and FMN1. Each bar represents mean ± SD, * p < 0.05. Full article ">Figure 8
Anti-pulmonary fibrotic mechanism of MOBT. MOBT inhibited lncITPF transcription by preventing p-Smad2/3 translocation from the cytoplasm to the nucleus, resulting in the reduction of the lncITPF–hnRNP L complex. The decreased lncITPF–hnRNP L complex reduced MEF2c expression by blocking its alternative splicing, which in turn inhibited the expression of MEF2c target genes, such as TAGLN2 and FMN1. Full article ">

15 pages, 835 KiB

Open AccessReview

Promising Antimycobacterial Activities of Flavonoids against Mycobacterium sp. Drug Targets: A Comprehensive Review

by Ali A. Rabaan, Saad Alhumaid, Hawra Albayat, Mohammed Alsaeed, Fadwa S. Alofi, Mawaheb H. Al-Howaidi, Safaa A. Turkistani, Salah M. Alhajri, Hejji E. Alahmed, Abdulwahab B. Alzahrani, Mutaib M. Mashraqi, Sara Alwarthan, Mashael Alhajri, Fatimah S. Alshahrani, Souad A. Almuthree, Roua A. Alsubki, Abdulmonem A. Abuzaid, Mubarak Alfaresi, Mona A. Al Fares and Abbas Al Mutair

Molecules 2022, 27(16), 5335; https://doi.org/10.3390/molecules27165335 - 22 Aug 2022

Cited by 14 | Viewed by 3654

Abstract

Tuberculosis (TB) caused by the bacterial pathogen Mycobacterium tuberculosis (Mtb) remains a threat to mankind, with over a billion of deaths in the last two centuries. Recent advancements in science have contributed to an understanding of Mtb pathogenesis and developed effective [...] Read more.

Tuberculosis (TB) caused by the bacterial pathogen Mycobacterium tuberculosis (Mtb) remains a threat to mankind, with over a billion of deaths in the last two centuries. Recent advancements in science have contributed to an understanding of Mtb pathogenesis and developed effective control tools, including effective drugs to control the global pandemic. However, the emergence of drug resistant Mtb strains has seriously affected the TB eradication program around the world. There is, therefore, an urgent need to develop new drugs for TB treatment, which has grown researchers’ interest in small molecule-based drug designing and development. The small molecules-based treatments hold significant potential to overcome drug resistance and even provide opportunities for multimodal therapy. In this context, various natural and synthetic flavonoids were reported for the effective treatment of TB. In this review, we have summarized the recent advancement in the understanding of Mtb pathogenesis and the importance of both natural and synthetic flavonoids against Mtb infection studied using in vitro and in silico methods. We have also included flavonoids that are able to inhibit the growth of non-tubercular mycobacterial organisms. Hence, understanding the therapeutic properties of flavonoids can be useful for the future treatment of TB. Full article

(This article belongs to the Special Issue Antitubercular Drug Discovery: Implication and Challenges)

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16 pages, 638 KiB

Open AccessReview

Effects of UV and UV-vis Irradiation on the Production of Microalgae and Macroalgae: New Alternatives to Produce Photobioprotectors and Biomedical Compounds

by Rafael G. Araújo, Brian Alcantar-Rivera, Edgar Ricardo Meléndez-Sánchez, María Adriana Martínez-Prado, Juan Eduardo Sosa-Hernández, Hafiz M. N. Iqbal, Roberto Parra-Saldivar and Manuel Martínez-Ruiz

Molecules 2022, 27(16), 5334; https://doi.org/10.3390/molecules27165334 - 22 Aug 2022

Cited by 10 | Viewed by 5653

Abstract

In the last decade, algae applications have generated considerable interest among research organizations and industrial sectors. Bioactive compounds, such as carotenoids, and Mycosporine-like amino acids (MAAs) derived from microalgae may play a vital role in the bio and non-bio sectors. Currently, commercial sunscreens [...] Read more.

In the last decade, algae applications have generated considerable interest among research organizations and industrial sectors. Bioactive compounds, such as carotenoids, and Mycosporine-like amino acids (MAAs) derived from microalgae may play a vital role in the bio and non-bio sectors. Currently, commercial sunscreens contain chemicals such as oxybenzone and octinoxate, which have harmful effects on the environment and human health; while microalgae-based sunscreens emerge as an eco-friendly alternative to provide photo protector agents against solar radiation. Algae-based exploration ranges from staple foods to pharmaceuticals, cosmetics, and biomedical applications. This review aims to identify the effects of UV and UV-vis irradiation on the production of microalgae bioactive compounds through the assistance of different techniques and extraction methods for biomass characterization. The efficiency and results focus on the production of a blocking agent that does not damage the aquifer, being beneficial for health and possible biomedical applications. Full article

(This article belongs to the Special Issue New Trends in Skin Care: Topical Delivery of Cosmeceutical Molecules)

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20 pages, 5399 KiB

Open AccessArticle

Biological Applications of Ball-Milled Synthesized Biochar-Zinc Oxide Nanocomposite Using Zea mays L.

by Asif Kamal, Urooj Haroon, Hakim Manghwar, Khalid H. Alamer, Ibtisam M. Alsudays, Ashwaq T. Althobaiti, Anila Iqbal, Mahnoor Akbar, Farhana, Maryam Anar, Moona Nazish, Hassan Javed Chaudhary and Muhammad Farooq Hussain Munis

Molecules 2022, 27(16), 5333; https://doi.org/10.3390/molecules27165333 - 22 Aug 2022

Cited by 17 | Viewed by 2785

Abstract

Nanotechnology is one of the vital and quickly developing areas and has several uses in various commercial zones. Among the various types of metal oxide-based nanoparticles, zinc oxide nanoparticles (ZnO NPs) are frequently used because of their effective properties. The ZnO nanocomposites are [...] Read more.

Nanotechnology is one of the vital and quickly developing areas and has several uses in various commercial zones. Among the various types of metal oxide-based nanoparticles, zinc oxide nanoparticles (ZnO NPs) are frequently used because of their effective properties. The ZnO nanocomposites are risk-free and biodegradable biopolymers, and they are widely being applied in the biomedical and therapeutics fields. In the current study, the biochar-zinc oxide (MB-ZnO) nanocomposites were prepared using a solvent-free ball-milling technique. The prepared MB-ZnO nanocomposites were characterized through scanning electron microscopy (SEM), energy-dispersive X-ray (EDX) spectroscopy, X-ray powder diffraction (XRD), and thermogravimetric analysis (TGA), Fourier-transform infrared spectroscopy (FTIR), and ultraviolet–visible (UV) spectroscopy. The MB-ZnO particles were measured as 43 nm via the X-ray line broadening technique by applying the Scherrer equation at the highest peak of 36.36°. The FTIR spectroscope results confirmed MB-ZnO’s formation. The band gap energy gap values of the MB-ZnO nanocomposites were calculated as 2.77 eV by using UV–Vis spectra. The MB-ZnO nanocomposites were tested in various in vitro biological assays, including biocompatibility assays against the macrophages and RBCs and the enzymes’ inhibition potential assay against the protein kinase, alpha-amylase, cytotoxicity assays of the leishmanial parasites, anti-inflammatory activity, antifungal activity, and antioxidant activities. The maximum TAC (30.09%), TRP (36.29%), and DPPH radicals’ scavenging potential (49.19%) were determined at the maximum dose of 200 µg/mL. Similarly, the maximum activity at the highest dose for the anti-inflammatory (76%), at 1000 μg/mL, alpha-amylase inhibition potential (45%), at 1000 μg/mL, antileishmanial activity (68%), at 100 μg/mL, and antifungal activity (73 ± 2.1%), at 19 mg/mL, was perceived, respectively. It did not cause any potential harm during the biocompatibility and cytotoxic assay and performed better during the anti-inflammatory and antioxidant assay. MB-ZnO caused moderate enzyme inhibition and was more effective against pathogenic fungus. The results of the current study indicated that MB-ZnO nanocomposites could be applied as effective catalysts in various processes. Moreover, this research provides valuable and the latest information to the readers and researchers working on biopolymers and nanocomposites. Full article

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SEM images of pristine biochar (A) and MB-ZnO (B). Full article ">Figure 2
EDX spectra (A) and elemental analysis of MB-ZnO nanocomposites (B). Full article ">Figure 3
XRD patterns of MB-ZnO nanocomposites. Full article ">Figure 4
FTIR spectrum of MB-ZnO nanocomposites. Full article ">Figure 5
TGA of pure biochar (A) and MB-ZnO (B). Full article ">Figure 6
UV analysis of pure biochar (A), pure ZnO, and MB-ZnO (B). Full article ">Figure 7
Antioxidant potential of MB-ZnO. Full article ">Figure 8
Anti-inflammatory activity of MB-ZnO nanocomposites. Full article ">Figure 9
Inhibition potential of MB-ZnO nanocomposites against protein kinase (A) and alpha-amylase activities (B). Full article ">Figure 10
Biocompatibility against human RBCs and macrophages. Full article ">Figure 11
Antileishmanial potential of MB-ZnO at various concentration. Full article ">Figure 12
Antifungal potential of MB-ZnO nanocomposites. Fungal growth was observed in control (A), and at different concentrations of MB-ZnO nanocomposites including 6 mg/mL concentration (B), 12 mg/mL concentration (C) and 19 mg/mL concentration (D). Full article ">

2 pages, 744 KiB

Open AccessCorrection

Correction: Saoudi et al. The Role of Allium subhirsutum L. in the Attenuation of Dermal Wounds by Modulating Oxidative Stress and Inflammation in Wistar Albino Rats. Molecules 2021, 26, 4875

by Mongi Saoudi, Riadh Badraoui, Ahlem Chira, Mohd Saeed, Nouha Bouali, Salem Elkahoui, Jahoor M. Alam, Choumous Kallel and Abdelfattah El Feki

Molecules 2022, 27(16), 5332; https://doi.org/10.3390/molecules27165332 - 22 Aug 2022

Viewed by 1126

Abstract

The authors wish to make the following change to their paper [...] Full article

(This article belongs to the Special Issue Plant-Derived Phenolic Compounds: From Molecular Mechanisms to Clinical Application)

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13 pages, 1905 KiB

Open AccessArticle

Purification of Indole Contained in Wash Oil by Combination of Extraction and Crystallization (Part 1: Recovery and Concentration of Indole Contained in Wash Oil by Solvent Extraction)

by Su Jin Kim

Molecules 2022, 27(16), 5331; https://doi.org/10.3390/molecules27165331 - 21 Aug 2022

Cited by 4 | Viewed by 1982

Abstract

For the purpose of determining the high-purity purification of indole (IN) contained in wash oil in concentrations of 5.75%, this study, first of all, investigated the concentration of IN contained in wash oil using a combination of methanol extraction to recover [...] Read more.

For the purpose of determining the high-purity purification of indole (IN) contained in wash oil in concentrations of 5.75%, this study, first of all, investigated the concentration of IN contained in wash oil using a combination of methanol extraction to recover IN in the wash oil, and n-hexane re-extraction to concentrate IN present in the extract phase, recovered through methanol extraction. In order to examine the effect of each operation on the recovery and concentration of IN contained in the wash oil, batch 1-stage and batch co-current 5-stage distribution equilibrium was performed simultaneously. As 5-stage equilibrium extraction and re-extraction progressed, the recovery rate of IN decreased to about 79.1%, while IN composition in the raffinate phase recovered by re-extraction was highly concentrated to about 73.3%. From the high recovery rate and composition of IN obtained through this study, we confirmed that the combination examined by this study was one of the very useful combinations for the concentration of IN present in the wash oil. Furthermore, we reviewed the recovery and concentration process of IN contained in the wash oil using the experiment results of the extraction and the re-extraction obtained from this study. Full article

(This article belongs to the Special Issue Chemistry of Indoles)

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11 pages, 67455 KiB

Open AccessArticle

Electrochemical Characteristics of Shewanella loihica PV-4 on Reticulated Vitreous Carbon (RVC) with Different Potentials Applied

by Shixin Wang, Xiaoming Zhang and Enrico Marsili

Molecules 2022, 27(16), 5330; https://doi.org/10.3390/molecules27165330 - 21 Aug 2022

Cited by 2 | Viewed by 2070

Abstract

The current output of an anodic bioelectrochemical system (BES) depends upon the extracellular electron transfer (EET) rate from electricigens to the electrodes. Thus, investigation of EET mechanisms between electricigens and solid electrodes is essential. Here, reticulated vitreous carbon (RVC) electrodes are used to [...] Read more.

The current output of an anodic bioelectrochemical system (BES) depends upon the extracellular electron transfer (EET) rate from electricigens to the electrodes. Thus, investigation of EET mechanisms between electricigens and solid electrodes is essential. Here, reticulated vitreous carbon (RVC) electrodes are used to increase the surface available for biofilm formation of the known electricigen Shewanella loihica PV-4, which is limited in conventional flat electrodes. S. loihica PV-4 utilizes flavin-mediated EET at potential lower than the outer membrane cytochromes (OMC), while at higher potential, both direct electron transfer (DET) and mediated electron transfer (MET) contribute to the current output. Results show that high electrode potential favors cell attachment on RVC, which enhances the current output. DET is the prevailing mechanism in early biofilm, while the contribution of MET to current output increased as the biofilm matured. Electrochemical analysis under starvation shows that the mediators could be confined in the biofilm. The morphology of biofilm shows bacteria distributed on the top layer of honeycomb structures, preferentially on the flat areas. This study provides insights into the EET pathways of S. loihica PV-4 on porous RVC electrodes at different biofilm ages and different set potential, which is important for the design of real-world BES. Full article

(This article belongs to the Special Issue Electrochemistry Applied in Biological Systems)

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19 pages, 5074 KiB

Open AccessArticle

Bio-Derived Fluorescent Carbon Dots: Synthesis, Properties and Applications

by Manisha Kumari, Ganga Ram Chaudhary, Savita Chaudhary, Ahmad Umar, Sheikh Akbar and Sotirios Baskoutas

Molecules 2022, 27(16), 5329; https://doi.org/10.3390/molecules27165329 - 21 Aug 2022

Cited by 13 | Viewed by 2912

Abstract

The transformation of biowaste into products with added value offers a lucrative role in nation-building. The current work describes the synthesis of highly water-soluble, luminous carbon quantum dots (CQDs) in the size range of 5–10 nm from discarded rice straw. The small spherical [...] Read more.

The transformation of biowaste into products with added value offers a lucrative role in nation-building. The current work describes the synthesis of highly water-soluble, luminous carbon quantum dots (CQDs) in the size range of 5–10 nm from discarded rice straw. The small spherical CQDs that were formed had outstanding optical and luminescent qualities as well as good photostabilities. By performing quantitative multi-assay tests that included antioxidant activities, in vitro stability and colloidal assay investigations as a function of different CQD concentrations, the biocompatibility of CQDs was evaluated. To clearly visualize the type of surface defects and emissive states in produced CQDs, excitation-dependent fluorescence emission experiments have also been carried out. The “waste-to-wealth” strategy that has been devised is a successful step toward the quick and accurate detection of Cu²⁺ ion in aqueous conditions. The fluorescence-quenching behavior has specified the concentration dependency of the developed sensor in the range of 50 μM to 10 nM, with detection limit value of 0.31 nM. The main advantage of the current research is that it offers a more environmentally friendly, economically viable and scaled-up synthesis of toxicologically screened CQDs for the quick fluorescence detection of Cu²⁺ ions and opens up new possibilities in wastewater management. Full article

(This article belongs to the Special Issue Inorganic Young Investigators' Contributions Collection)

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19 pages, 1986 KiB

Open AccessArticle

The Chemistry of Green and Roasted Coffee by Selectable 1D/2D Gas Chromatography Mass Spectrometry with Spectral Deconvolution

by Scott C. Frost, Paige Walker, Colin M. Orians and Albert Robbat, Jr.

Molecules 2022, 27(16), 5328; https://doi.org/10.3390/molecules27165328 - 21 Aug 2022

Cited by 5 | Viewed by 3086

Abstract

Gas chromatography/mass spectrometry (GC/MS) is a long-standing technique for the analysis of volatile organic compounds (VOCs). When coupled with the Ion Analytics software, GC/MS provides unmatched selectivity in the analysis of complex mixtures and it reduces the reliance on high-resolution chromatography to obtain [...] Read more.

Gas chromatography/mass spectrometry (GC/MS) is a long-standing technique for the analysis of volatile organic compounds (VOCs). When coupled with the Ion Analytics software, GC/MS provides unmatched selectivity in the analysis of complex mixtures and it reduces the reliance on high-resolution chromatography to obtain clean mass spectra. Here, we present an application of spectral deconvolution, with mass spectral subtraction, to identify a wide array of VOCs in green and roasted coffees. Automated sequential, two-dimensional GC-GC/MS of a roasted coffee sample produced the retention index and spectrum of 750 compounds. These initial analytes served as targets for subsequent coffee analysis by GC/MS. The workflow resulted in the quantitation of 511 compounds detected in two different green and roasted coffees. Of these, over 100 compounds serve as candidate differentiators of coffee quality, AAA vs. AA, as designated by the Coopedota cooperative in Costa Rica. Of these, 72 compounds survive the roasting process and can be used to discriminate green coffee quality after roasting. Full article

(This article belongs to the Special Issue Application of Metabolomics for Food and Beverages Analysis)

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GC/MS chromatogram of roasted coffee on (A) non-polar (RXI-5MS) and (B) polar (RTX-WAX) phases. Full article ">Figure 2
Sample GC-GC/MS total ion chromatograms of 1-min sample fractions transferred from the polar phase column (RTX-WAX) to the non-polar column (RTX-5MS). (A) Total ion current chromatogram collected from a heart cut at minute 20–21. (B) Total ion current chromatogram collected from a heart cut at minute 30–31. Full article ">Figure 3
Illustrative examples of spectral deconvolution and MS subtraction using the GC-GC/MS database as target compounds. Each panel displays a portion of a 1D GC (RTX-5MS column)/MS analysis. (A) peak ID’s and heartcuts time (RTX-WAX): 426 = 1-methylethenyl-pyrazine, 20–21 min; 437 = 1-(1-methyl-1H-pyrrol-2-yl)-ethanone, 29–30 min; 440 = m-cresol, 30–31 min; 445 = 2,6-diethyl-pyrizine, 16–17 min; and 448 = 3-ethyl-2,5-dimethyl-pyrizine, 19–20 min. (B) Peak ID’s and heartcuts: 895 = #354, 31–32 min; 897 = 2-(hydroxymethyl)-benzoic acid, 29–30 min; 901 = 4-ethenyl-1,2-dimethoxy-benzene; 29–30 min; 923 = 5-hydroxy-3,3-dimethyl-1-benzofuran-2-one, 40–41 min; 924 = 4-methylindole, 37–38 min; 925 = 1-(4-hydroxyphenyl)-2-methyl-1-propanone, 37–38 min; and 926 = #381, 37–38 min. Full article ">Figure 4
Venn diagram showing the commonality of identified compounds. Shared compounds are indicated in the overlapping areas of each oval; for example, 112 compounds were found common between the Green AAA and Green AA, which is determined by adding 20, 8, 72, and 12. Sets labeled with “*” are listed in <a href="#molecules-27-05328-t001" class="html-table">Table 1</a>, <a href="#molecules-27-05328-t002" class="html-table">Table 2</a> and <a href="#molecules-27-05328-t003" class="html-table">Table 3</a>. Full article ">Figure 5
Selectable 1D/2D GC/MS-FID/ODP. Black arrows indicate sample separation by GC-GC for library-building purposes. Red arrows indicate flow the path when operating the ODP. The 1D flow path does not include the LTM2 and is indicated with the green arrow. Full article ">

50 pages, 2769 KiB

Open AccessReview

Mechanistic Insights into the Pharmacological Significance of Silymarin

by Karan Wadhwa, Rakesh Pahwa, Manish Kumar, Shobhit Kumar, Prabodh Chander Sharma, Govind Singh, Ravinder Verma, Vineet Mittal, Inderbir Singh, Deepak Kaushik and Philippe Jeandet

Molecules 2022, 27(16), 5327; https://doi.org/10.3390/molecules27165327 - 21 Aug 2022

Cited by 64 | Viewed by 9165

Abstract

Medicinal plants are considered the reservoir of diverse therapeutic agents and have been traditionally employed worldwide to heal various ailments for several decades. Silymarin is a plant-derived mixture of polyphenolic flavonoids originating from the fruits and akenes of Silybum marianum and contains three [...] Read more.

Medicinal plants are considered the reservoir of diverse therapeutic agents and have been traditionally employed worldwide to heal various ailments for several decades. Silymarin is a plant-derived mixture of polyphenolic flavonoids originating from the fruits and akenes of Silybum marianum and contains three flavonolignans, silibinins (silybins), silychristin and silydianin, along with taxifolin. Silybins are the major constituents in silymarin with almost 70–80% abundance and are accountable for most of the observed therapeutic activity. Silymarin has also been acknowledged from the ancient period and is utilized in European and Asian systems of traditional medicine for treating various liver disorders. The contemporary literature reveals that silymarin is employed significantly as a neuroprotective, hepatoprotective, cardioprotective, antioxidant, anti-cancer, anti-diabetic, anti-viral, anti-hypertensive, immunomodulator, anti-inflammatory, photoprotective and detoxification agent by targeting various cellular and molecular pathways, including MAPK, mTOR, β-catenin and Akt, different receptors and growth factors, as well as inhibiting numerous enzymes and the gene expression of several apoptotic proteins and inflammatory cytokines. Therefore, the current review aims to recapitulate and update the existing knowledge regarding the pharmacological potential of silymarin as evidenced by vast cellular, animal, and clinical studies, with a particular emphasis on its mechanisms of action. Full article

(This article belongs to the Collection Featured Reviews in Natural Products Chemistry)

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13 pages, 3140 KiB

Open AccessArticle

Molecular Dynamics-Assisted Design of High Temperature-Resistant Polyacrylamide/Poloxamer Interpenetrating Network Hydrogels

by Xianwen Song, Gang Lu, Jingxing Wang, Jun Zheng, Shanying Sui, Qiang Li and Yi Zhang

Molecules 2022, 27(16), 5326; https://doi.org/10.3390/molecules27165326 - 21 Aug 2022

Cited by 4 | Viewed by 2429

Abstract

Polyacrylamide has promising applications in a wide variety of fields. However, conventional polyacrylamide is prone to hydrolysis and thermal degradation under high temperature conditions, resulting in a decrease in solution viscosity with increasing temperature, which limits its practical effect. Herein, combining molecular dynamics [...] Read more.

Polyacrylamide has promising applications in a wide variety of fields. However, conventional polyacrylamide is prone to hydrolysis and thermal degradation under high temperature conditions, resulting in a decrease in solution viscosity with increasing temperature, which limits its practical effect. Herein, combining molecular dynamics and practical experiments, we explored a facile and fast mixing strategy to enhance the thermal stability of polyacrylamide by adding common poloxamers to form the interpenetrating network hydrogel. The blending model of three synthetic polyacrylamides (cationic, anionic, and nonionic) and poloxamers was first established, and then the interaction process between them was simulated by all-atom molecular dynamics. In the results, it was found that the hydrogen bonding between the amide groups on all polymers and the oxygen-containing groups (ether and hydroxyl groups) on poloxamers is very strong, which may be the key to improve the high temperature resistance of the hydrogel. Subsequent rheological tests also showed that poloxamers can indeed significantly improve the stability and viscosity of nonionic polyacrylamide containing only amide groups at high temperatures and can maintain a high viscosity of 3550 mPa·S at 80 °C. Transmission electron microscopy further showed that the nonionic polyacrylamide/poloxamer mixture further formed an interpenetrating network structure. In addition, the Fourier transform infrared test also proved the existence of strong hydrogen bonding between the two polymers. This work provides a useful idea for improving the properties of polyacrylamide, especially for the design of high temperature materials for physical blending. Full article

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(A) Structure of anionic polyacrylamide (APAM), cationic polyacrylamide (CPAM), and nonionic polyacrylamide (NPAM). (B) Structure of Poloxamer. Among them, important monomers include acrylamide (AM), acrylic acid (AA), and acryloyloxyethyltrimethyl ammonium chloride (DAC). Full article ">Figure 2
(A) Molecular dynamics process of the interaction between NPAM and poloxamer. (B) Hydrogen bonding between two polymers. Full article ">Figure 3
Molecular dynamics results of the interaction of two composite systems. (A) APAM and poloxamer. (B) CPAM and poloxamer. Full article ">Figure 4
(A) Pictures of poloxamer, APAM/poloxamer, CPAM/poloxamer, and NPAM/poloxamer. G′ and G″ values of (B) CPAM/poloxamer and (C) NPAM/poloxamer. Full article ">Figure 5
Viscosity of (A) CPAM and CPAM/poloxamer, (B) NPAM and NPAM/poloxamer, and (C) APAM and APAM/poloxamer. The temperature range is 25–80 °C. (D–F) SEM images of the three composite systems. All concentrations are 10 wt%. Full article ">Figure 6
(A) Digital images of NPAM/poloxamer-4 and NPAM/poloxamer-12 hydrogels. (B) FTIR of NPAM, poloxamer, NPAM/poloxamer-4, NPAM/poloxamer-8, and NPAM/poloxamer-12. (C) SEM images of three hydrogels at different concentrations. Full article ">Figure 7
(A) Viscosity of NPAM/poloxamer hydrogels at different concentrations. Temperature sweep tests of (B) NPAM/poloxamer-4, (C) NPAM/poloxamer-8, and (D) NPAM/poloxamer-12 hydrogels. (E) Pictures of NPAM/poloxamer-8 hydrogel heated to 80 °C and cooled to 25 °C. Full article ">

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Molecules, Volume 27, Issue 16 (August-2 2022) – 307 articles

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