Molecules

11 pages, 3295 KiB

Open AccessArticle

Virtual Screening, Synthesis and Biological Evaluation of Streptococcus mutans Mediated Biofilm Inhibitors

by Lubna Atta, Ruqaiya Khalil, Khalid Mohammed Khan, Moatter Zehra, Faiza Saleem, Mohammad Nur-e-Alam and Zaheer Ul-Haq

Molecules 2022, 27(4), 1455; https://doi.org/10.3390/molecules27041455 - 21 Feb 2022

Cited by 4 | Viewed by 3399

Abstract

Dental caries, a global oral health concern, is a biofilm-mediated disease. Streptococcus mutans, the most prevalent oral microbiota, produces extracellular enzymes, including glycosyltransferases responsible for sucrose polymerization. In bacterial communities, the biofilm matrix confers resistance to host immune responses and antibiotics. Thus, in [...] Read more.

Dental caries, a global oral health concern, is a biofilm-mediated disease. Streptococcus mutans, the most prevalent oral microbiota, produces extracellular enzymes, including glycosyltransferases responsible for sucrose polymerization. In bacterial communities, the biofilm matrix confers resistance to host immune responses and antibiotics. Thus, in cases of chronic dental caries, inhibiting bacterial biofilm assembly should prevent demineralization of tooth enamel, thereby preventing tooth decay. A high throughput screening was performed in the present study to identify small molecule inhibitors of S. mutans glycosyltransferases. Multiple pharmacophore models were developed, validated with multiple datasets, and used for virtual screening against large chemical databases. Over 3000 drug-like hits were obtained that were analyzed to explore their binding mode. Finally, six compounds that showed good binding affinities were further analyzed for ADME (absorption, distribution, metabolism, and excretion) properties. The obtained in silico hits were evaluated for in vitro biofilm formation. The compounds displayed excellent antibiofilm activities with minimum inhibitory concentration (MIC) values of 15.26–250 µg/mL. Full article

(This article belongs to the Special Issue Designing Next-Generation Drug-Like Molecules for Medicinal Applications)

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13 pages, 16229 KiB

Open AccessArticle

Correlation of EDLC Capacitance with Physical Properties of Polyethylene Terephthalate Added Pitch-Based Activated Carbon

by Cheol Hwan Kwak, Dohwan Kim and Byong Chol Bai

Molecules 2022, 27(4), 1454; https://doi.org/10.3390/molecules27041454 - 21 Feb 2022

Cited by 11 | Viewed by 2874

Abstract

The electric double-layer capacitor (EDLC) has attracted attention by using activated carbon (AC) as an active electrode material with a high power density and high cost-efficiency in industrial applications. The EDLC has been actively developed over the past decade to improve the power [...] Read more.

The electric double-layer capacitor (EDLC) has attracted attention by using activated carbon (AC) as an active electrode material with a high power density and high cost-efficiency in industrial applications. The EDLC has been actively developed over the past decade to improve the power density and capacitance. Extensive studies on EDLCs have been conducted to investigate the relation of EDLC capacitance to the physical properties of AC, such as the specific surface area, pore type and size, and electrical conductivity. In this study, EDLC was fabricated with AC, and its capacitance was evaluated with the physical properties of AC. The AC was prepared using petroleum-based pitch synthesized using pyrolysis fuel oil (PFO) with polyethylene terephthalate (PET). The AC based on PFO and PET (PPAC) exhibited high specific surface area and low micropore fraction compared to the PFO-based AC without PET addition (PAC). Furthermore, the reduction of the EDLC capacitance of PPAC was smaller than that of PAC, as the scan rate was increased from 5 to 100 mV s−1. It was determined that the minor reduction of capacitance with an increase in the scan rate resulted from the development of 4 nm-sized mesopores in PPAC. In addition, a comprehensive correlation of EDLC capacitance with various physical properties of ACs, such as specific surface area, pore characteristics, and electrical conductivity, was established. Finally, the optimal properties of AC were thereupon derived to improve the EDLC capacitance. Full article

(This article belongs to the Special Issue Energy and Environmental Materials)

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36 pages, 4908 KiB

Open AccessReview

Development and Application of Liquid Crystals as Stimuli-Responsive Sensors

by Sulayman A. Oladepo

Molecules 2022, 27(4), 1453; https://doi.org/10.3390/molecules27041453 - 21 Feb 2022

Cited by 26 | Viewed by 5045

Abstract

This focused review presents various approaches or formats in which liquid crystals (LCs) have been used as stimuli-responsive sensors. In these sensors, the LC molecules adopt some well-defined arrangement based on the sensor composition and the chemistry of the system. The sensor usually [...] Read more.

This focused review presents various approaches or formats in which liquid crystals (LCs) have been used as stimuli-responsive sensors. In these sensors, the LC molecules adopt some well-defined arrangement based on the sensor composition and the chemistry of the system. The sensor usually consists of a molecule or functionality in the system that engages in some form of specific interaction with the analyte of interest. The presence of analyte brings about the specific interaction, which then triggers an orientational transition of the LC molecules, which is optically discernible via a polarized optical image that shows up as dark or bright, depending on the orientation of the LC molecules in the system (usually a homeotropic or planar arrangement). The various applications of LCs as biosensors for glucose, protein and peptide detection, biomarkers, drug molecules and metabolites are extensively reviewed. The review also presents applications of LC-based sensors in the detection of heavy metals, anionic species, gases, volatile organic compounds (VOCs), toxic substances and in pH monitoring. Additionally discussed are the various ways in which LCs have been used in the field of material science. Specific attention has been given to the sensing mechanism of each sensor and it is important to note that in all cases, LC-based sensing involves some form of orientational transition of the LC molecules in the presence of a given analyte. Finally, the review concludes by giving future perspectives on LC-based sensors. Full article

(This article belongs to the Special Issue Current Advances in Liquid Crystals II)

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17 pages, 1276 KiB

Open AccessArticle

Functional Analysis of Autoantibody Signatures in Rheumatoid Arthritis

by Lisa Milchram, Anita Fischer, Jasmin Huber, Regina Soldo, Daniela Sieghart, Klemens Vierlinger, Stephan Blüml, Günter Steiner and Andreas Weinhäusel

Molecules 2022, 27(4), 1452; https://doi.org/10.3390/molecules27041452 - 21 Feb 2022

Cited by 3 | Viewed by 3029

Abstract

For the identification of antigenic protein biomarkers for rheumatoid arthritis (RA), we conducted IgG profiling on high density protein microarrays. Plasma IgG of 96 human samples (healthy controls, osteoarthritis, seropositive and seronegative RA, n = 24 each) and time-series plasma of a pristane-induced [...] Read more.

For the identification of antigenic protein biomarkers for rheumatoid arthritis (RA), we conducted IgG profiling on high density protein microarrays. Plasma IgG of 96 human samples (healthy controls, osteoarthritis, seropositive and seronegative RA, n = 24 each) and time-series plasma of a pristane-induced arthritis (PIA) rat model (n = 24 total) were probed on AIT’s 16k protein microarray. To investigate the analogy of underlying disease pathways, differential reactivity analysis was conducted. A total of n = 602 differentially reactive antigens (DIRAGs) at a significance cutoff of p < 0.05 were identified between seropositive and seronegative RA for the human samples. Correlation with the clinical disease activity index revealed an inverse correlation of antibodies against self-proteins found in pathways relevant for antigen presentation and immune regulation. The PIA model showed n = 1291 significant DIRAGs within acute disease. Significant DIRAGs for (I) seropositive, (II) seronegative and (III) PIA were subjected to the Reactome pathway browser which also revealed pathways relevant for antigen presentation and immune regulation; of these, seven overlapping pathways had high significance. We therefore conclude that the PIA model reflects the biological similarities of the disease pathogenesis. Our data show that protein array analysis can elucidate biological differences and pathways relevant in disease as well be a useful additional layer of omics information. Full article

(This article belongs to the Special Issue Functional Proteomics for Biomarker and Drug Discovery)

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12 pages, 22396 KiB

Open AccessArticle

Immunomodulatory Properties of Masticadienonic Acid and 3α-Hydroxy Masticadienoic Acid in Dendritic Cells

by Gabriela Piñón-Zárate, Fernanda Reyes-Riquelme, Ma Beatriz Sánchez-Monroy, Mónica Velasco-Torrez, Mariano Martínez-Vázquez, Christian Adrian Cárdenas-Monroy, Beatriz Hernandez-Téllez, Katia Jarquín-Yáñez, Miguel Ángel Herrera-Enríquez and Andrés Eliú Castell-Rodríguez

Molecules 2022, 27(4), 1451; https://doi.org/10.3390/molecules27041451 - 21 Feb 2022

Cited by 4 | Viewed by 2491

Abstract

Dendritic cells are antigen-presenting cells, which identify and process pathogens to subsequently activate specific T lymphocytes. To regulate the immune responses, DCs have to mature by the recognition of TLR ligands, TNFα or IFNγ. These ligands have been used as adjuvants to activate [...] Read more.

Dendritic cells are antigen-presenting cells, which identify and process pathogens to subsequently activate specific T lymphocytes. To regulate the immune responses, DCs have to mature by the recognition of TLR ligands, TNFα or IFNγ. These ligands have been used as adjuvants to activate DCs in situ or in vitro, with toxic effects. It has been shown that some molecules affect the immune system, e.g., Masticadienonic acid (MDA) and 3α-hydroxy masticadienoic acid (3α-OH MDA) triterpenes naturally occurring in several medicinal plants, since they activate the nitric oxide synthase in macrophages and induce T lymphocyte proliferation. The DCs maturation induced by MDA or 3a-OH MDA was determined by incubating these cells with MDA or 3α-OH MDA, and their phenotype was afterwards analyzed. The results showed that only 3α-OH MDA was able to induce DCs maturation. When mice with melanoma were inoculated with DCs/3α-OH MDA, a decreased tumor growth rate was observed along with an extended cell death area within tumors compared to mice treated with DCs incubated with MDA. In conclusion, it is proposed that 3α-OH MDA may be an immunostimulant molecule. Conversely, it is proposed that MDA may be a molecule with anti-inflammatory properties. Full article

(This article belongs to the Special Issue Anti-tumor Effects of Natural Products on Tumor Itself and Tumor Microenvironments)

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16 pages, 4483 KiB

Open AccessArticle

ZnO Nanoparticles of Rubia cordifolia Extract Formulation Developed and Optimized with QbD Application, Considering Ex Vivo Skin Permeation, Antimicrobial and Antioxidant Properties

by Jasmeet Kaur, Md. Khalid Anwer, Ali Sartaj, Bibhu Prasad Panda, Abuzer Ali, Ameeduzzafar Zafar, Vinay Kumar, Sadaf Jamal Gilani, Chandra Kala and Mohamad Taleuzzaman

Molecules 2022, 27(4), 1450; https://doi.org/10.3390/molecules27041450 - 21 Feb 2022

Cited by 15 | Viewed by 3497

Abstract

The objective of the current research is to develop ZnO-Manjistha extract (ZnO-MJE) nanoparticles (NPs) and to investigate their transdermal delivery as well as antimicrobial and antioxidant activity. The optimized formulation was further evaluated based on different parameters. The ZnO-MJE-NPs were prepared by mixing [...] Read more.

The objective of the current research is to develop ZnO-Manjistha extract (ZnO-MJE) nanoparticles (NPs) and to investigate their transdermal delivery as well as antimicrobial and antioxidant activity. The optimized formulation was further evaluated based on different parameters. The ZnO-MJE-NPs were prepared by mixing 10 mM ZnSO₄·7H₂O and 0.8% w/v NaOH in distilled water. To the above, a solution of 10 mL MJE (10 mg) in 50 mL of zinc sulfate was added. Box–Behnken design (Design-Expert software 12.0.1.0) was used for the optimization of ZnO-MJE-NP formulations. The ZnO-MJE-NPs were evaluated for their physicochemical characterization, in vitro release activity, ex vivo permeation across rat skin, antimicrobial activity using sterilized agar media, and antioxidant activity by the DPPH free radical method. The optimized ZnO-MJE-NP formulation (F13) showed a particle size of 257.1 ± 0.76 nm, PDI value of 0.289 ± 0.003, and entrapment efficiency of 79 ± 0.33%. Drug release kinetic models showed that the formulation followed the Korsmeyer–Peppas model with a drug release of 34.50 ± 2.56 at pH 7.4 in 24 h. In ex vivo studies ZnO-MJE-NPs-opt permeation was 63.26%. The antibacterial activity was found to be enhanced in ZnO-MJE-NPs-opt and antioxidant activity was found to be highest (93.14 ± 4.05%) at 100 µg/mL concentrations. The ZnO-MJE-NPs-opt formulation showed prolonged release of the MJE and intensified permeation. Moreover, the formulation was found to show significantly (p < 0.05) better antimicrobial and antioxidant activity as compared to conventional suspension formulations. Full article

(This article belongs to the Special Issue Synthetic and Natural Pharmaceutical Molecules: From Cutting-Edge Formulation Technologies to Drug Applications)

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45 pages, 6628 KiB

Open AccessReview

Anticancer Activities of Marine-Derived Phenolic Compounds and Their Derivatives

by Dario Matulja, Filip Vranješević, Maria Kolympadi Markovic, Sandra Kraljević Pavelić and Dean Marković

Molecules 2022, 27(4), 1449; https://doi.org/10.3390/molecules27041449 - 21 Feb 2022

Cited by 27 | Viewed by 4999

Abstract

Since the middle of the last century, marine organisms have been identified as producers of chemically and biologically diverse secondary metabolites which have exerted various biological activities including anticancer, anti-inflammatory, antioxidant, antimicrobial, antifouling and others. This review primarily focuses on the marine phenolic [...] Read more.

Since the middle of the last century, marine organisms have been identified as producers of chemically and biologically diverse secondary metabolites which have exerted various biological activities including anticancer, anti-inflammatory, antioxidant, antimicrobial, antifouling and others. This review primarily focuses on the marine phenolic compounds and their derivatives with potent anticancer activity, isolated and/or modified in the last decade. Reports on the elucidation of their structures as well as biosynthetic studies and total synthesis are also covered. Presented phenolic compounds inhibited cancer cells proliferation or migration, at sub-micromolar or nanomolar concentrations (lamellarins D (37), M (38), K (39), aspergiolide B (41), fradimycin B (62), makulavamine J (66), mayamycin (69), N-acetyl-N-demethylmayamycin (70) or norhierridin B (75)). In addition, they exhibited anticancer properties by a diverse biological mechanism including induction of apoptosis or inhibition of cell migration and invasive potential. Finally, phlorotannins 1–7 and bromophenols 12–29 represent the most researched phenolic compounds, of which the former are recognized as protective agents against UVB or gamma radiation-induced skin damages. Finally, phenolic metabolites were assorted into six main classes: phlorotannins, bromophenols, flavonoids, coumarins, terpenophenolics, quinones and hydroquinones. The derivatives that could not be attributed to any of the above-mentioned classes were grouped in a separate class named miscellaneous compounds. Full article

(This article belongs to the Special Issue Isolation and Characterization of Antioxidants from Natural Sources)

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11 pages, 624 KiB

Open AccessArticle

Hemp Seeds of the Polish ‘Bialobrzeskie’ and ‘Henola’ Varieties (Cannabis sativa L. var. sativa) as Prospective Plant Sources for Food Production

by Mirosława Teleszko, Adam Zając and Tomasz Rusak

Molecules 2022, 27(4), 1448; https://doi.org/10.3390/molecules27041448 - 21 Feb 2022

Cited by 21 | Viewed by 3916

Abstract

This publication characterizes the nutritional value of the Polish hemp seeds of the ‘Bialobrzeskie’ and ‘Henola’ varieties, including the profile/content of fatty acids and amino acids. Hemp seeds were found to be rich in protein, fat, and dietary fiber. Polyunsaturated fatty acids (PUFA) [...] Read more.

This publication characterizes the nutritional value of the Polish hemp seeds of the ‘Bialobrzeskie’ and ‘Henola’ varieties, including the profile/content of fatty acids and amino acids. Hemp seeds were found to be rich in protein, fat, and dietary fiber. Polyunsaturated fatty acids (PUFA) dominated the unsaturated fatty acids (UFA) profile. Their average share within the total fatty acids (FA) was as high as 75%. Linoleic acid belonging to this group accounted for 55% of the total FA. Lipid profile indices (Σ n − 6/Σ n − 3, Σ PUFA/Σ SFA, the thrombogenicity index, the atherogenicity index and the hypocholesterolemic/hypercholesterolemic ratio) proved the high nutritional value of hemp oil. Considering the tyrosine + phenylalanine and histidine contents, hemp protein exhibited a great degree of similarity to egg protein, which is known and valued for its high biological value. Full article

(This article belongs to the Special Issue Industrial Hemp Chemistry and Nutraceutical Perspectives)

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12 pages, 1132 KiB

Open AccessArticle

Polysaccharide-Rich Red Algae (Gelidium amansii) Hot-Water Extracts Alleviate Abnormal Hepatic Lipid Metabolism without Suppression of Glucose Intolerance in a Streptozotocin/Nicotinamide-Induced Diabetic Rat Model

by Shing-Hwa Liu, Chia-Yu Ku and Meng-Tsan Chiang

Molecules 2022, 27(4), 1447; https://doi.org/10.3390/molecules27041447 - 21 Feb 2022

Cited by 8 | Viewed by 2219

Abstract

This study was designed to investigate the effects of polysaccharide-rich red algae (Gelidium amansii) hot-water extracts (GHE) on lipid and glucose metabolism in rats with streptozotocin (STZ)/nicotinamide (NA)-induced diabetes. Rats were divided into three groups: NC—normal control group), DM—diabetic group, and [...] Read more.

This study was designed to investigate the effects of polysaccharide-rich red algae (Gelidium amansii) hot-water extracts (GHE) on lipid and glucose metabolism in rats with streptozotocin (STZ)/nicotinamide (NA)-induced diabetes. Rats were divided into three groups: NC—normal control group), DM—diabetic group, and DG—diabetic group supplemented with GHE (5%). The experimental diet and drinking water were available ad libitum for 10 weeks. After the 10-week feeding duration, the body weight, liver weight, total adipose tissue weight, and hepatic TBARS and cholesterol levels were significantly increased, and hepatic glycogen content and adipose lipolysis rate were significantly decreased in the DM group, which could be effectively reversed by supplementation of GHE. However, GHE supplementation could not improve the glucose intolerance in DM rats. It was interesting to note that GHE supplementation could decrease the liver glucose-6-phosphotase activity, which was increased in DM rats. Taken together, these results suggested that GHE feeding may ameliorate abnormal hepatic lipid metabolism, but not glucose intolerance, in diabetic rats induced by STZ/NA. Full article

(This article belongs to the Special Issue Functional Food and Their Pharmaceutical Properties)

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15 pages, 2855 KiB

Open AccessReview

Production of Large-Ring Cyclodextrins by Amylomaltases

by Kuakarun Krusong, Abbas Ismail, Karan Wangpaiboon and Piamsook Pongsawasdi

Molecules 2022, 27(4), 1446; https://doi.org/10.3390/molecules27041446 - 21 Feb 2022

Cited by 11 | Viewed by 2682

Abstract

Amylomaltase is a well-known glucan transferase that can produce large ring cyclodextrins (LR-CDs) or so-called cycloamyloses via cyclization reaction. Amylomaltases have been found in several microorganisms and their optimum temperatures are generally around 60–70 °C for thermostable amylomaltases and 30–45 °C for the [...] Read more.

Amylomaltase is a well-known glucan transferase that can produce large ring cyclodextrins (LR-CDs) or so-called cycloamyloses via cyclization reaction. Amylomaltases have been found in several microorganisms and their optimum temperatures are generally around 60–70 °C for thermostable amylomaltases and 30–45 °C for the enzymes from mesophilic bacteria and plants. The optimum pHs for mesophilic amylomaltases are around pH 6.0–7.0, while the thermostable amylomaltases are generally active at more acidic conditions. Size of LR-CDs depends on the source of amylomaltases and the reaction conditions including pH, temperature, incubation time, and substrate. For example, in the case of amylomaltase from Corynebacterium glutamicum, LR-CD productions at alkaline pH or at a long incubation time favored products with a low degree of polymerization. In this review, we explore the synthesis of LR-CDs by amylomaltases, structural information of amylomaltases, as well as current applications of LR-CDs and amylomaltases. Full article

(This article belongs to the Special Issue Recent Advances in Carbohydrate-Active Enzymes)

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12 pages, 2316 KiB

Open AccessArticle

Untargeted Metabolomics Analysis Revealed the Major Metabolites in the Seeds of four Polygonatum Species

by Jianjun Qi, Jianhe Wei, Dengqun Liao, Zimian Ding, Xia Yao, Peng Sun and Xianen Li

Molecules 2022, 27(4), 1445; https://doi.org/10.3390/molecules27041445 - 21 Feb 2022

Cited by 9 | Viewed by 2900

Abstract

Most Polygonatum species are widely used in China as a source of medicine and food. In this study, a UPLC-QTOF-MS/MS system was used to conduct an untargeted metabolomics analysis and compare the classes and relative contents of metabolites in the seeds of four [...] Read more.

Most Polygonatum species are widely used in China as a source of medicine and food. In this study, a UPLC-QTOF-MS/MS system was used to conduct an untargeted metabolomics analysis and compare the classes and relative contents of metabolites in the seeds of four Polygonatum species: P. sibiricum (Ps), P. cyrtonema (Pc), P. kingianum (Pk), and P. macropodium (Pm). The objectives of this study were to clarify the metabolic profiles of these seeds and to verify their medicinal and nutritional value via comparative analyses. A total of 873 metabolites were identified, including 185 flavonoids, 127 lipids, 105 phenolic acids, and 36 steroids. The comparative analysis of metabolites among Polygonatum seed samples indicated that flavonoids, steroids, and terpenoids were the main differentially abundant compounds. The results of principal component analysis and hierarchical clustering were consistent indicating that the metabolites in Ps and Pm are similar, but differ greatly from Pc and Pk. The data generated in this study provide additional evidence of the utility of Polygonatum seeds for producing food and medicine. Full article

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11 pages, 1119 KiB

Open AccessBrief Report

Optimization of Extraction Conditions of Carotenoids from Dunaliella parva by Response Surface Methodology

by Yujia Li, Xiaojuan Huang, Lirong Luo and Changhua Shang

Molecules 2022, 27(4), 1444; https://doi.org/10.3390/molecules27041444 - 21 Feb 2022

Cited by 4 | Viewed by 2384

Abstract

Extraction conditions can exert a remarkable influence on extraction efficiency. The aim of this study was to improve the extraction efficiency of carotenoids from Dunaliella parva (D. parva). Dimethyl sulfoxide (DMSO) and 95% ethanol were used as the extraction solvents. The [...] Read more.

Extraction conditions can exert a remarkable influence on extraction efficiency. The aim of this study was to improve the extraction efficiency of carotenoids from Dunaliella parva (D. parva). Dimethyl sulfoxide (DMSO) and 95% ethanol were used as the extraction solvents. The extraction time, extraction temperature and the proportions of mixed solvent were taken as influencing factors, and the experimental scheme was determined by Central Composite Design (CCD) of Design Expert 10.0.4.0 to optimize the extraction process of carotenoids from D. parva. The absorbance values of the extract at 665 nm, 649 nm and 480 nm were determined by a microplate spectrophotometer, and the extraction efficiency of carotenoids was calculated. Analyses of the model fitting degree, variance and interaction term 3D surface were performed by response surface analysis. The optimal extraction conditions were as follows: extraction time of 20 min, extraction temperature of 40 °C, and a mixed solvent ratio (DMSO: 95% ethanol) of 3.64:1. Under the optimal conditions, the actual extraction efficiency of carotenoids was 0.0464%, which was increased by 18.19% (the initial extraction efficiency of 0.03926%) with a lower extraction temperature (i.e., lower energy consumption) compared to the standard protocol. Full article

(This article belongs to the Topic Microalgal Biotechnology for Bioproducts and Food Applications)

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51 pages, 15300 KiB

Open AccessReview

CNSL, a Promising Building Blocks for Sustainable Molecular Design of Surfactants: A Critical Review

by Audrey Roy, Pauline Fajardie, Bénédicte Lepoittevin, Jérôme Baudoux, Vincent Lapinte, Sylvain Caillol and Benoit Briou

Molecules 2022, 27(4), 1443; https://doi.org/10.3390/molecules27041443 - 21 Feb 2022

Cited by 28 | Viewed by 6804

Abstract

Surfactants are crystallizing a certain focus for consumer interest, and their market is still expected to grow by 4 to 5% each year. Most of the time these surfactants are of petroleum origin and are not often biodegradable. Cashew Nut Shell Liquid (CNSL) [...] Read more.

Surfactants are crystallizing a certain focus for consumer interest, and their market is still expected to grow by 4 to 5% each year. Most of the time these surfactants are of petroleum origin and are not often biodegradable. Cashew Nut Shell Liquid (CNSL) is a promising non-edible renewable resource, directly extracted from the shell of the cashew nut. The interesting structure of CNSL and its components (cardanol, anacardic acid and cardol) lead to the synthesis of biobased surfactants. Indeed, non-ionic, anionic, cationic and zwitterionic surfactants based on CNSL have been reported in the literature. Even now, CNSL is absent or barely mentioned in specialized review or chapters talking about synthetic biobased surfactants. Thus, this review focuses on CNSL as a building block for the synthesis of surfactants. In the first part, it describes and criticizes the synthesis of molecules and in the second part, it compares the efficiency and the properties (CMC, surface tension, kraft temperature, biodegradability) of the obtained products with each other and with commercial ones. Full article

(This article belongs to the Special Issue Synthesis, Characterization and Application of Surfactants)

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18 pages, 16276 KiB

Open AccessArticle

Synthesis and Characterization of an α-Fe₂O₃-Decorated g-C₃N₄ Heterostructure for the Photocatalytic Removal of MO

by Rooha Khurram, Zaib Un Nisa, Aroosa Javed, Zhan Wang and Mostafa A. Hussien

Molecules 2022, 27(4), 1442; https://doi.org/10.3390/molecules27041442 - 21 Feb 2022

Cited by 9 | Viewed by 2594

Abstract

This study describes the preparation of graphitic carbon nitride (g-C₃N₄), hematite (α-Fe₂O₃), and their g-C₃N₄/α-Fe₂O₃ heterostructure for the photocatalytic removal of methyl orange (MO) under visible light illumination. [...] Read more.

This study describes the preparation of graphitic carbon nitride (g-C₃N₄), hematite (α-Fe₂O₃), and their g-C₃N₄/α-Fe₂O₃ heterostructure for the photocatalytic removal of methyl orange (MO) under visible light illumination. The facile hydrothermal approach was utilized for the preparation of the nanomaterials. Powder X-ray diffraction (XRD), Scanning electron microscopy (SEM), Energy dispersive X-ray (EDX), and Brunauer–Emmett–Teller (BET) were carried out to study the physiochemical and optoelectronic properties of all the synthesized photocatalysts. Based on the X-ray photoelectron spectroscopy (XPS) and UV-visible diffuse reflectance (DRS) results, an energy level diagram vs. SHE was established. The acquired results indicated that the nanocomposite exhibited a type-II heterojunction and degraded the MO dye by 97%. The degradation ability of the nanocomposite was higher than that of pristine g-C₃N₄ (41%) and α-Fe₂O₃ (30%) photocatalysts under 300 min of light irradiation. The formation of a type-II heterostructure with desirable band alignment and band edge positions for efficient interfacial charge carrier separation along with a larger specific surface area was collectively responsible for the higher photocatalytic efficiency of the g-C₃N₄/α-Fe₂O₃ nanocomposite. The mechanism of the nanocomposite was also studied through results obtained from UV-vis and XPS analyses. A reactive species trapping experiment confirmed the involvement of the superoxide radical anion (O₂^•−) as the key reactive oxygen species for MO removal. The degradation kinetics were also monitored, and the reaction was observed to be pseudo-first order. Moreover, the sustainability of the photocatalyst was also investigated. Full article

(This article belongs to the Section Inorganic Chemistry)

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18 pages, 10293 KiB

Open AccessArticle

New Ceramics Precursors Containing Si and Ge Atoms—Cubic Germasilsesquioxanes—Synthesis, Thermal Decomposition and Spectroscopic Analysis

by Aleksandra Skoczeń, Dawid Frąckowiak, Robert E. Przekop, Miłosz Frydrych, Małgorzata Kasperkowiak, Piotr Jeleń, Maciej Sitarz and Bogdan Marciniec

Molecules 2022, 27(4), 1441; https://doi.org/10.3390/molecules27041441 - 21 Feb 2022

Cited by 4 | Viewed by 2515

Abstract

Compounds of the silsesquioxane type are attractive material precursors. High molecular weights and well-defined structures predestine them to create ceramics with a controlled composition at the molecular level. New molecular precursors of ceramic materials with the ratio of Si:Ge = 7:1 atoms were [...] Read more.

Compounds of the silsesquioxane type are attractive material precursors. High molecular weights and well-defined structures predestine them to create ceramics with a controlled composition at the molecular level. New molecular precursors of ceramic materials with the ratio of Si:Ge = 7:1 atoms were obtained. The influence of organic substituents on the thermal decomposition processes of germasilsesquioxanes was investigated. Some of the structures obtained are characterized by a high non-volatile residue after the thermal decomposition process. The introduction of the germanium atom to the structure of the silsesquioxane molecular cage reduces the thermal stability of the obtained structures. Full article

(This article belongs to the Special Issue Organic Chemistry, Synthesis, and Catalysis: Special Issue in Memory of Professor Victor Snieckus for His Outstanding Contributions to Organic Chemistry)

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11 pages, 1506 KiB

Open AccessArticle

Preparation and Performance of Lignin-Based Multifunctional Superhydrophobic Coating

by Xue Liu, Chao Gao, Chenglong Fu, Yuebin Xi, Pedram Fatehi, Joe R. Zhao, Shoujuan Wang, Magdi E. Gibril and Fangong Kong

Molecules 2022, 27(4), 1440; https://doi.org/10.3390/molecules27041440 - 21 Feb 2022

Cited by 15 | Viewed by 4591

Abstract

Superhydrophobic coatings have drawn much attention in recent years for their widespread potential applications. However, there are challenges to find a simple and cost-effective approach to prepare superhydrophobic materials and coatings using natural polymer. Herein, we prepared a kraft lignin-based superhydrophobic powder via [...] Read more.

Superhydrophobic coatings have drawn much attention in recent years for their widespread potential applications. However, there are challenges to find a simple and cost-effective approach to prepare superhydrophobic materials and coatings using natural polymer. Herein, we prepared a kraft lignin-based superhydrophobic powder via modifying kraft lignin through 1H, 1H, 2H, 2H-perfluorodecyl-triethoxysilane (PFDTES) substitution reaction, and constructed superhydrophobic coatings by direct spraying the suspended PFDTES-Lignin powder on different substrates, including glass, wood, metal and paper. The prepared lignin-based coatings have excellent repellency to water, with a water contact angle of 164.7°, as well as good friction resistance, acid resistance, alkali resistance, salt resistance properties and quite good self-cleaning performance. After 30 cycles of sand friction or being stayed in 2 mol/L HCl, 0.25 mol/L NaOH and 2 mol/L NaCl solution for 30 min, the coatings still retain super hydrophobic capability, with contact angles higher than 150°. The superhydrophobic performance of PFDTES-Lignin coatings is mainly attributed to the constructed high surface roughness and the low surface energy afforded by modified lignin. This lignin-based polymer coating is low-cost, scalable, and has huge potential application in different fields, providing a simple way for the value-added utilization of kraft lignin. Full article

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21 pages, 4063 KiB

Open AccessArticle

Image-Based Annotation of Chemogenomic Libraries for Phenotypic Screening

by Amelie Tjaden, Apirat Chaikuad, Eric Kowarz, Rolf Marschalek, Stefan Knapp, Martin Schröder and Susanne Müller

Molecules 2022, 27(4), 1439; https://doi.org/10.3390/molecules27041439 - 21 Feb 2022

Cited by 18 | Viewed by 3956

Abstract

Phenotypical screening is a widely used approach in drug discovery for the identification of small molecules with cellular activities. However, functional annotation of identified hits often poses a challenge. The development of small molecules with narrow or exclusive target selectivity such as chemical [...] Read more.

Phenotypical screening is a widely used approach in drug discovery for the identification of small molecules with cellular activities. However, functional annotation of identified hits often poses a challenge. The development of small molecules with narrow or exclusive target selectivity such as chemical probes and chemogenomic (CG) libraries, greatly diminishes this challenge, but non-specific effects caused by compound toxicity or interference with basic cellular functions still pose a problem to associate phenotypic readouts with molecular targets. Hence, each compound should ideally be comprehensively characterized regarding its effects on general cell functions. Here, we report an optimized live-cell multiplexed assay that classifies cells based on nuclear morphology, presenting an excellent indicator for cellular responses such as early apoptosis and necrosis. This basic readout in combination with the detection of other general cell damaging activities of small molecules such as changes in cytoskeletal morphology, cell cycle and mitochondrial health provides a comprehensive time-dependent characterization of the effect of small molecules on cellular health in a single experiment. The developed high-content assay offers multi-dimensional comprehensive characterization that can be used to delineate generic effects regarding cell functions and cell viability, allowing an assessment of compound suitability for subsequent detailed phenotypic and mechanistic studies. Full article

(This article belongs to the Special Issue Phenotypic Screening)

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15 pages, 4636 KiB

Open AccessArticle

Rationalisation of Antifungal Properties of α-Helical Pore-Forming Peptide, Mastoparan B

by Edward Jianyang Lim, Eunice Goh Tze Leng, Nhan Dai Thien Tram, Mercy Halleluyah Periayah, Pui Lai Rachel Ee, Timothy Mark Sebastian Barkham, Zhi Sheng Poh, Navin Kumar Verma and Rajamani Lakshminarayanan

Molecules 2022, 27(4), 1438; https://doi.org/10.3390/molecules27041438 - 21 Feb 2022

Cited by 2 | Viewed by 2536

Abstract

The high mortality associated with invasive fungal infections, narrow spectrum of available antifungals, and increasing evolution of antifungal resistance necessitate the development of alternative therapies. Host defense peptides are regarded as the first line of defense against microbial invasion in both vertebrates and [...] Read more.

The high mortality associated with invasive fungal infections, narrow spectrum of available antifungals, and increasing evolution of antifungal resistance necessitate the development of alternative therapies. Host defense peptides are regarded as the first line of defense against microbial invasion in both vertebrates and invertebrates. In this work, we investigated the effectiveness of four naturally occurring pore-forming antimicrobial peptides (melittin, magainin 2, cecropin A, and mastoparan B) against a panel of clinically relevant pathogens, including Candida albicans, Candida parapsilosis, Candida tropicalis, and Candida glabrata. We present data on the antifungal activities of the four pore-forming peptides, assessed with descriptive statistics, and their cytocompatibility with cultured human cells. Among the four peptides, mastoparan B (MB) displayed potent antifungal activity, whereas cecropin A was the least potent. We show that MB susceptibility of phylogenetically distant non-candida albicans can vary and be described by different intrinsic physicochemical parameters of pore-forming α-helical peptides. These findings have potential therapeutic implications for the design and development of safe antifungal peptide-based drugs. Full article

(This article belongs to the Special Issue Natural Antimicrobial Agents: Design, Synthesis, and Evaluation)

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11 pages, 1103 KiB

Open AccessArticle

Thermodynamic Solubility Profile of Temozolomide in Different Commonly Used Pharmaceutical Solvents

by Abdul Ahad, Faiyaz Shakeel, Mohammad Raish, Ajaz Ahmad, Yousef A. Bin Jardan, Fahad I. Al-Jenoobi and Abdullah M. Al-Mohizea

Molecules 2022, 27(4), 1437; https://doi.org/10.3390/molecules27041437 - 21 Feb 2022

Cited by 8 | Viewed by 2184

Abstract

The solubility parameters, and solution thermodynamics of temozolomide (TMZ) in 10 frequently used solvents were examined at five different temperatures. The maximum mole fraction solubility of TMZ was ascertained in dimethyl sulfoxide (1.35 × 10⁻²), followed by that in polyethylene glycol-400 [...] Read more.

The solubility parameters, and solution thermodynamics of temozolomide (TMZ) in 10 frequently used solvents were examined at five different temperatures. The maximum mole fraction solubility of TMZ was ascertained in dimethyl sulfoxide (1.35 × 10⁻²), followed by that in polyethylene glycol-400 (3.32 × 10⁻³) > Transcutol^® (2.89 × 10⁻³) > ethylene glycol (1.64 × 10⁻³) > propylene glycol (1.47 × 10⁻³) > H₂O (7.70 × 10⁻⁴) > ethyl acetate (5.44 × 10⁻⁴) > ethanol (1.80 × 10⁻⁴) > isopropyl alcohol (1.32 × 10⁻⁴) > 1-butanol (1.07 × 10⁻⁴) at 323.2 K. An analogous pattern was also observed for the other investigated temperatures. The quantitated TMZ solubility values were regressed using Apelblat and Van’t Hoff models and showed overall deviances of 0.96% and 1.33%, respectively. Apparent thermodynamic analysis indicated endothermic, spontaneous, and entropy-driven dissolution of TMZ in all solvents. TMZ solubility data may help to formulate dosage forms, recrystallize, purify, and extract/separate TMZ. Full article

(This article belongs to the Section Physical Chemistry)

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21 pages, 10012 KiB

Open AccessArticle

N-((1H-Pyrrol-2-yl)methylene)-6-methoxypyridin-3-amine and Its Co(II) and Cu(II) Complexes as Antimicrobial Agents: Chemical Preparation, In Vitro Antimicrobial Evaluation, In Silico Analysis and Computational and Theoretical Chemistry Investigations

by Vinusha H. Mariwamy, Shiva Prasad Kollur, Bindya Shivananda, Muneera Begum, Chandan Shivamallu, Chandan Dharmashekara, Sushma Pradeep, Anisha S. Jain, Shashanka K. Prasad, Asad Syed, Abdallah M. Elgorban, Salim Al-Rejaie, Joaquín Ortega-Castro, Juan Frau, Norma Flores-Holguín and Daniel Glossman-Mitnik

Molecules 2022, 27(4), 1436; https://doi.org/10.3390/molecules27041436 - 21 Feb 2022

Cited by 8 | Viewed by 2773

Abstract

Researchers are interested in Schiff bases and their metal complexes because they offer a wide range of applications. The chemistry of Schiff bases of heterocompounds has got a lot of attention because of the metal’s ability to coordinate with Schiff base ligands. In [...] Read more.

Researchers are interested in Schiff bases and their metal complexes because they offer a wide range of applications. The chemistry of Schiff bases of heterocompounds has got a lot of attention because of the metal’s ability to coordinate with Schiff base ligands. In the current study, a new bidentate Schiff base ligand, N-((1H-pyrrol-2-yl)methylene)-6-methoxypyridin-3-amine (MPM) has been synthesized by condensing 6-methoxypyridine-3-amine with pyrrole-2-carbaldehyde. Further, MPM is used to prepare Cu(II) and Co(II) metal complexes. Analytical and spectroscopic techniques are used for the structural elucidation of the synthesized compounds. Both MPM and its metal complexes were screened against Escherichia coli, Bacillus subtilis, Staphylococcus aureus and Klebsiella pneumoniae species for antimicrobial studies. Furthermore, these compounds were subjected to in silico studies against bacterial proteins to comprehend their best non-bonded interactions. The results confirmed that the Schiff base ligand show considerably higher binding affinity with good hydrogen bonding and hydrophobic interactions against various tested microbial species. These results were complemented with a report of the Conceptual DFT global reactivity descriptors of the studied compounds together with their biological scores and their ADMET computed parameters. Full article

(This article belongs to the Special Issue Advances in the Theoretical and Computational Chemistry)

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11 pages, 1396 KiB

Open AccessArticle

Microwave-Assisted Extraction Coupled to HPLC-UV Combined with Chemometrics for the Determination of Bioactive Compounds in Pistachio Nuts and the Guarantee of Quality and Authenticity

by Natasa P. Kalogiouri, Petros D. Mitsikaris, Athanasios N. Papadopoulos and Victoria F. Samanidou

Molecules 2022, 27(4), 1435; https://doi.org/10.3390/molecules27041435 - 21 Feb 2022

Cited by 4 | Viewed by 2451

Abstract

Two novel microwave-assisted extraction (MAE) methods were developed for the isolation of phenols and tocopherols from pistachio nuts. The extracts were analyzed by reversed-phase high-pressure liquid chromatography coupled with a UV detector (RP-HPLC-UV). In total, eighteen pistachio samples, originating from Greece and Turkey, [...] Read more.

Two novel microwave-assisted extraction (MAE) methods were developed for the isolation of phenols and tocopherols from pistachio nuts. The extracts were analyzed by reversed-phase high-pressure liquid chromatography coupled with a UV detector (RP-HPLC-UV). In total, eighteen pistachio samples, originating from Greece and Turkey, were analyzed and thirteen phenolic compounds, as well as α-tocopherol, (β + γ)-tocopherol, and δ-tocopherol, were identified. The analytical methods were validated and presented good linearity (r² > 0.990) and a high recovery rate over the range of 82.4 to 95.3% for phenols, and 93.1 to 96.4% for tocopherols. Repeatablility was calculated over the range 1.8–5.8%RSD for intra-day experiments, and reproducibility over the range 3.2–9.4%RSD for inter-day experiments, respectively. Principal component analysis (PCA) was employed to analyze the differences between the concentrations of the bioactive compounds with respect to geographical origin, while agglomerative hierarchical clustering (AHC) was used to cluster the samples based on their similarity and according to the geographical origin. Full article

(This article belongs to the Special Issue Sample Preparation-Quo Vadis: Current Status of Sample Preparation Approaches-2nd Edition)

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13 pages, 4098 KiB

Open AccessArticle

Synthesis and Characterization of Cellulose Triacetate Obtained from Date Palm (Phoenix dactylifera L.) Trunk Mesh-Derived Cellulose

by Hamid M. Shaikh, Arfat Anis, Anesh Manjaly Poulose, Saeed M. Al-Zahrani, Niyaz Ahamad Madhar, Abdullah Alhamidi, Saleh Husam Aldeligan and Faisal S. Alsubaie

Molecules 2022, 27(4), 1434; https://doi.org/10.3390/molecules27041434 - 21 Feb 2022

Cited by 28 | Viewed by 4678

Abstract

Cellulosic polysaccharides have increasingly been recognized as a viable substitute for the depleting petro-based feedstock due to numerous modification options for obtaining a plethora of bio-based materials. In this study, cellulose triacetate was synthesized from pure cellulose obtained from the waste lignocellulosic part [...] Read more.

Cellulosic polysaccharides have increasingly been recognized as a viable substitute for the depleting petro-based feedstock due to numerous modification options for obtaining a plethora of bio-based materials. In this study, cellulose triacetate was synthesized from pure cellulose obtained from the waste lignocellulosic part of date palm (Phoenix dactylifera L.). To achieve a degree of substitution (DS) of the hydroxyl group of 2.9, a heterogeneous acetylation reaction was carried out with acetic anhydride as an acetyl donor. The obtained cellulose ester was compared with a commercially available derivative and characterized using various analytical methods. This cellulose triacetate contains approximately 43.9% acetyl and has a molecular weight of 205,102 g·mol⁻¹. The maximum thermal decomposition temperature of acetate was found to be 380 °C, similar to that of a reference sample. Thus, the synthesized ester derivate can be suitable for fabricating biodegradable and “all cellulose” biocomposite systems. Full article

(This article belongs to the Special Issue Application of Analysis and Testing in Foods, Materials, Environment and Pharmacy)

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16 pages, 3028 KiB

Open AccessArticle

Synthesis of Copper Oxide-Based Nanoformulations of Etoricoxib and Montelukast and Their Evaluation through Analgesic, Anti-Inflammatory, Anti-Pyretic, and Acute Toxicity Activities

by Sulaiman Sulaiman, Shabir Ahmad, Syeda Sohaila Naz, Sara Qaisar, Sayyar Muhammad, Amal Alotaibi and Riaz Ullah

Molecules 2022, 27(4), 1433; https://doi.org/10.3390/molecules27041433 - 21 Feb 2022

Cited by 12 | Viewed by 2655

Abstract

Copper oxide nanoparticles (CuO NPs) were synthesized through the coprecipitation method and used as nanocarriers for etoricoxib (selective COX-2 inhibitor drug) and montelukast (leukotriene product inhibitor drug) in combination therapy. The CuO NPs, free drugs, and nanoformulations were investigated through UV/Vis spectroscopy, FTIR [...] Read more.

Copper oxide nanoparticles (CuO NPs) were synthesized through the coprecipitation method and used as nanocarriers for etoricoxib (selective COX-2 inhibitor drug) and montelukast (leukotriene product inhibitor drug) in combination therapy. The CuO NPs, free drugs, and nanoformulations were investigated through UV/Vis spectroscopy, FTIR spectroscopy, XRD, SEM, and DLS. SEM imaging showed agglomerated nanorods of CuO NPs of about 87 nm size. The CE1, CE2, and CE6 nanoformulations were investigated through DLS, and their particle sizes were 271, 258, and 254 nm, respectively. The nanoformulations were evaluated through in vitro anti-inflammatory activity, in vivo anti-inflammatory activity, in vivo analgesic activity, in vivo anti-pyretic activity, and in vivo acute toxicity activity. In vivo activities were performed on albino mice. BSA denaturation was highly inhibited by CE1, CE2, and CE6 as compared to other nanoformulations in the in vitro anti-inflammatory activity. The in vivo bioactivities showed that low doses (5 mg/kg) of nanoformulations were more potent than high doses (10 and 20 mg/kg) of free drugs in the inhibition of pain, fever, and inflammation. Lastly, CE2 was more potent than that of other nanoformulations. Full article

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17 pages, 3607 KiB

Open AccessArticle

Baicalin Targets HSP70/90 to Regulate PKR/PI3K/AKT/eNOS Signaling Pathways

by Yinzhu Hou, Zuqing Liang, Luyu Qi, Chao Tang, Xingkai Liu, Jilin Tang, Yao Zhao, Yanyan Zhang, Tiantian Fang, Qun Luo, Shijun Wang and Fuyi Wang

Molecules 2022, 27(4), 1432; https://doi.org/10.3390/molecules27041432 - 21 Feb 2022

Cited by 7 | Viewed by 3128

Abstract

Baicalin is a major active ingredient of traditional Chinese medicine Scutellaria baicalensis, and has been shown to have antiviral, anti-inflammatory, and antitumor activities. However, the protein targets of baicalin have remained unclear. Herein, a chemical proteomics strategy was developed by combining baicalin-functionalized [...] Read more.

Baicalin is a major active ingredient of traditional Chinese medicine Scutellaria baicalensis, and has been shown to have antiviral, anti-inflammatory, and antitumor activities. However, the protein targets of baicalin have remained unclear. Herein, a chemical proteomics strategy was developed by combining baicalin-functionalized magnetic nanoparticles (BCL-N₃@MNPs) and quantitative mass spectrometry to identify the target proteins of baicalin. Bioinformatics analysis with the use of Gene Ontology, STRING and Ingenuity Pathway Analysis, was performed to annotate the biological functions and the associated signaling pathways of the baicalin targeting proteins. Fourteen proteins in human embryonic kidney cells were identified to interact with baicalin with various binding affinities. Bioinformatics analysis revealed these proteins are mainly ATP-binding and/or ATPase activity proteins, such as CKB, HSP86, HSP70-1, HSP90, ATPSF1β and ACTG1, and highly associated with the regulation of the role of PKR in interferon induction and the antiviral response signaling pathway (P = 10⁻⁶), PI3K/AKT signaling pathway (P = 10⁻⁵) and eNOS signaling pathway (P = 10⁻⁴). The results show that baicalin exerts multiply pharmacological functions, such as antiviral, anti-inflammatory, antitumor, and antioxidant functions, through regulating the PKR and PI3K/AKT/eNOS signaling pathways by targeting ATP-binding and ATPase activity proteins. These findings provide a fundamental insight into further studies on the mechanism of action of baicalin. Full article

(This article belongs to the Special Issue Frontiers in Functions, Mechanisms and Applications of Natural Plant Products)

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16 pages, 2277 KiB

Open AccessReview

Carotenoids and Their Biosynthesis in Fungi

by Gerhard Sandmann

Molecules 2022, 27(4), 1431; https://doi.org/10.3390/molecules27041431 - 21 Feb 2022

Cited by 41 | Viewed by 6722

Abstract

Carotenoids represent a class of pigmented terpenoids. They are distributed in all taxonomic groups of fungi. Most of the fungal carotenoids differ in their chemical structures to those from other organisms. The general function of carotenoids in heterotrophic organisms is protection as antioxidants [...] Read more.

Carotenoids represent a class of pigmented terpenoids. They are distributed in all taxonomic groups of fungi. Most of the fungal carotenoids differ in their chemical structures to those from other organisms. The general function of carotenoids in heterotrophic organisms is protection as antioxidants against reactive oxygen species generated by photosensitized reactions. Furthermore, carotenoids are metabolized to apocarotenoids by oxidative cleavage. This review presents the current knowledge on fungal-specific carotenoids, their occurrence in different taxonomic groups, and their biosynthesis and conversion into trisporic acids. The outline of the different pathways was focused on the reactions and genes involved in not only the known pathways, but also suggested the possible mechanisms of reactions, which may occur in several non-characterized pathways in different fungi. Finally, efforts and strategies for genetic engineering to enhance or establish pathways for the production of various carotenoids in carotenogenic or non-carotenogenic yeasts were highlighted, addressing the most-advanced producers of each engineered yeast, which offered the highest biotechnological potentials as production systems. Full article

(This article belongs to the Section Natural Products Chemistry)

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12 pages, 3644 KiB

Open AccessArticle

Chlorogenic Acid-Loaded Mesoporous Silica Nanoparticles Modified with Hexa-Histidine Peptides Reduce Skin Allergies by Capturing Nickel

by Tianyu Wang, Liying Yin, Zheng Ma and Yanrong Zhang

Molecules 2022, 27(4), 1430; https://doi.org/10.3390/molecules27041430 - 21 Feb 2022

Cited by 8 | Viewed by 2641

Abstract

Nickel-induced contact dermatitis is a severe allergic reaction to objects or environments that contain nickel. Many nanomaterials have been developed to reduce skin allergies by capturing nickel, but few agents are effective and safe. In this work, mesoporous silica nanoparticles (MSN) were synthesized [...] Read more.

Nickel-induced contact dermatitis is a severe allergic reaction to objects or environments that contain nickel. Many nanomaterials have been developed to reduce skin allergies by capturing nickel, but few agents are effective and safe. In this work, mesoporous silica nanoparticles (MSN) were synthesized and decorated with hexa-histidine peptides (denoted as MSN-His⁶), making it a strong nickel chelator. Subsequently, a dietary polyphenol, chlorogenic acid, was loaded into the mesopores of MSN (denoted as MSN-His⁶@CGA), realizing the potential of its anti-inflammatory properties. In vitro and in vivo experiments revealed that the synthesized MSN-His⁶@CGA nanoparticles exhibited more stable and stronger chelation, better biocompatibility, and ideal allergy-relieving ability, whether for environmental metal contamination or for allergic contact dermatitis caused by prolonged nickel exposure. Thus, the application of mesoporous silica-based nanoparticles may represent an ideal approach to alleviate skin allergies by capturing nickel, which would benefit people who suffer from metal-induced contact dermatitis. Full article

(This article belongs to the Special Issue Bioactive Flavonoids and Xanthones: From Bench to Industry. Pharmaceutical, Cosmetic and Industrial Applications)

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14 pages, 4835 KiB

Open AccessArticle

Bruch’s-Mimetic Nanofibrous Membranes Functionalized with the Integrin-Binding Peptides as a Promising Approach for Human Retinal Pigment Epithelium Cell Transplantation

by Shaocheng Wang, Siyong Lin, Bo Xue, Chenyu Wang, Nana Yan, Yueyan Guan, Yuntao Hu and Xuejun Wen

Molecules 2022, 27(4), 1429; https://doi.org/10.3390/molecules27041429 - 21 Feb 2022

Cited by 5 | Viewed by 2573

Abstract

Background: This study aimed to develop an ultrathin nanofibrous membrane able to, firstly, mimic the natural fibrous architecture of human Bruch’s membrane (BM) and, secondly, promote survival of retinal pigment epithelial (RPE) cells after surface functionalization of fibrous membranes. Methods: Integrin-binding peptides (IBPs) [...] Read more.

Background: This study aimed to develop an ultrathin nanofibrous membrane able to, firstly, mimic the natural fibrous architecture of human Bruch’s membrane (BM) and, secondly, promote survival of retinal pigment epithelial (RPE) cells after surface functionalization of fibrous membranes. Methods: Integrin-binding peptides (IBPs) that specifically interact with appropriate adhesion receptors on RPEs were immobilized on Bruch’s-mimetic membranes to promote coverage of RPEs. Surface morphologies, Fourier-transform infrared spectroscopy spectra, contact angle analysis, Alamar Blue assay, live/dead assay, immunofluorescence staining, and scanning electron microscopy were used to evaluate the outcome. Results: Results showed that coated membranes maintained the original morphology of nanofibers. After coating with IBPs, the water contact angle of the membrane surfaces varied from 92.38 ± 0.67 degrees to 20.16 ± 0.81 degrees. RPE cells seeded on IBP-coated membranes showed the highest viability at all time points (Day 1, p < 0.05; Day 3, p < 0.01; Days 7 and 14, p < 0.001). The proliferation rate of RPE cells on uncoated poly(ε-caprolactone) (PCL) membranes was significantly lower than that of IBP-coated membranes (p < 0.001). SEM images showed a well-organized hexa/polygonal monolayer of RPE cells on IBP-coated membranes. RPE cells proliferated rapidly, contacted, and became confluent. RPE cells formed a tight adhesion with nanofibers under high-magnification SEM. Our findings confirmed that the IBP-coated PCL membrane improved the attachment, proliferation, and viability of RPE cells. In addition, in this study, we used serum-free culture for RPE cells and short IBPs without immunogenicity to prevent graft rejection and immunogenicity during transplantation. Conclusions: These results indicated that the biomimic BM-IBP-RPE nanofibrous graft might be a new, practicable approach to increase the success rate of RPE cell transplantation. Full article

(This article belongs to the Special Issue Advances in Research of Short Peptides)

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13 pages, 2934 KiB

Open AccessArticle

Saprophytic Bacillus Accelerates the Release of Effective Components in Agarwood by Degrading Cellulose

by Huizhen Yang, Runying He, Yao Cui, Ying Li and Xizhen Ge

Molecules 2022, 27(4), 1428; https://doi.org/10.3390/molecules27041428 - 20 Feb 2022

Cited by 3 | Viewed by 2951

Abstract

The value of Agarwood increases with time due to the gradual release of its major components, but the mechanism behind this remains unclear. Herein we reveal that the potential driving force of this process is the degradation of cellulose in Agarwood by its [...] Read more.

The value of Agarwood increases with time due to the gradual release of its major components, but the mechanism behind this remains unclear. Herein we reveal that the potential driving force of this process is the degradation of cellulose in Agarwood by its saprophytic Bacillus subtilis. We selected 10-year-old Agarwood from different places and then isolated the saprophytic bacteria. We confirmed these bacteria from different sources are all Bacillus and confirmed they can degrade cellulose, and the highest cellulase activity reached 0.22 U/mL. By co-cultivation of the bacterium and Agarwood powder, we found that three of the strains could release the effective components of Agarwood, while they had little effect in increasing the same components in living Aquilaria sinensis. Finally, we demonstrated that these saprophytic Bacillus subtilis have similar effects on Zanthoxylum bungeanum Maxim and Dalbergiaod orifera T. Chen, but not on Illicium verum Hook. f, Cinnamomum cassia Presl and Phellodendron chinense Schneid. In conclusion, our experiment revealed that the saprophytic Bacillus release the effective components of Agarwood by degrading cellulose, and we provide a promising way to accelerate this process by using this bacterial agent. Full article

(This article belongs to the Collection Bioactive Compounds)

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17 pages, 2392 KiB

Open AccessArticle

Deep Eutectic Solvents as Phase Change Materials in Solar Thermal Power Plants: Energy and Exergy Analyses

by Hamed Peyrovedin, Reza Haghbakhsh, Ana Rita C. Duarte and Alireza Shariati

Molecules 2022, 27(4), 1427; https://doi.org/10.3390/molecules27041427 - 20 Feb 2022

Cited by 9 | Viewed by 2249

Abstract

Nowadays, producing energy from solar thermal power plants based on organic Rankine cycles coupled with phase change material has attracted the attention of researchers. Obviously, in such solar plants, the physical properties of the utilized phase change material (PCM) play important roles in [...] Read more.

Nowadays, producing energy from solar thermal power plants based on organic Rankine cycles coupled with phase change material has attracted the attention of researchers. Obviously, in such solar plants, the physical properties of the utilized phase change material (PCM) play important roles in the amounts of generated power and the efficiencies of the plant. Therefore, to choose the best PCM, various factors must be taken into account. In addition, considering the physical properties of the candidate PCM, the issue of environmental sustainability should also be considered when making the selection. Deep eutectic solvents (DESs) are novel green solvents, which, in addition to having various favorable characteristics, are environmentally sustainable. Accordingly, in this work, the feasibility of using seven different deep eutectic solvents as the PCMs of solar thermal power plants with organic Rankine cycles was investigated. By applying exergy and energy analyses, the performances of each were compared to paraffin, which is a conventional PCM. According to the achieved results, most of the investigated “DES cycles” produce more power than the conventional cycle using paraffin as its PCM. Furthermore, lower amounts of the PCM are required when paraffin is replaced by a DES at the same operational conditions. Full article

(This article belongs to the Special Issue Recent Advances in Green Solvents)

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23 pages, 4246 KiB

Open AccessArticle

An Integrated Proteomics and Bioinformatics Analysis of the Anticancer Properties of RT2 Antimicrobial Peptide on Human Colon Cancer (Caco-2) Cells

by Surachai Maijaroen, Sompong Klaynongsruang, Sittiruk Roytrakul, Monruedee Konkchaiyaphum, Lapatrada Taemaitree and Nisachon Jangpromma

Molecules 2022, 27(4), 1426; https://doi.org/10.3390/molecules27041426 - 20 Feb 2022

Cited by 8 | Viewed by 3044

Abstract

New selective, efficacious chemotherapy agents are in demand as traditional drugs display side effects and face growing resistance upon continued administration. To this end, bioactive molecules such as peptides are attracting interest. RT2 is a cationic peptide that was used as an antimicrobial [...] Read more.

New selective, efficacious chemotherapy agents are in demand as traditional drugs display side effects and face growing resistance upon continued administration. To this end, bioactive molecules such as peptides are attracting interest. RT2 is a cationic peptide that was used as an antimicrobial but is being repurposed for targeting cancer. In this work, we investigate the mechanism by which this peptide targets Caco-2 human colon cancer cells, one of the most prevalent and metastatic cancers. Combining label-free proteomics with bioinformatics data, our data explore over 1000 proteins to identify 133 proteins that are downregulated and 79 proteins that are upregulated upon treatment with RT2. These changes occur in a dose-dependent manner and suggest the former group are related to anticancer cell proliferation; the latter group is closely related to apoptosis levels. The mRNA levels of several genes (FGF8, PAPSS2, CDK12, LDHA, PRKCSH, CSE1L, STARD13, TLE3, and OGDHL) were quantified using RT-qPCR and were found to be in agreement with proteomic results. Collectively, the global change in Caco-2 cell protein abundance suggests that RT2 triggers multiple mechanisms, including cell proliferation reduction, apoptosis activation, and alteration of cancerous cell metabolism. Full article

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