Molecules

21 pages, 12802 KiB

Open AccessArticle

Antifungal, Antibacterial, and Cytotoxic Activities of Silver Nanoparticles Synthesized from Aqueous Extracts of Mace-Arils of Myristica fragrans

by Humaira Rizwana, Najat A. Bokahri, Fatimah S. Alkhattaf, Gadah Albasher and Horiah A. Aldehaish

Molecules 2021, 26(24), 7709; https://doi.org/10.3390/molecules26247709 - 20 Dec 2021

Cited by 28 | Viewed by 4269

Abstract

In the present study, mace-mediated silver nanoparticles (mace-AgNPs) were synthesized, characterized, and evaluated against an array of pathogenic microorganisms. Mace, the arils of Myristica fragrans, are a rich source of several bioactive compounds, including polyphenols and aromatic compounds. During nano synthesis, the [...] Read more.

In the present study, mace-mediated silver nanoparticles (mace-AgNPs) were synthesized, characterized, and evaluated against an array of pathogenic microorganisms. Mace, the arils of Myristica fragrans, are a rich source of several bioactive compounds, including polyphenols and aromatic compounds. During nano synthesis, the bioactive compounds in mace aqueous extracts serve as excellent bio reductants, stabilizers, and capping agents. The UV-VIS spectroscopy of the synthesized NPs showed an intense and broad SPR absorption peak at 456 nm. Dynamic light scattering (DLS) analysis showed the size with a Z average of 50 nm, while transmission electron microscopy (TEM) studies depicted the round shape and small size of the NPs, which ranged between 5–28 nm. The peaks related to important functional groups, such as phenols, alcohols, carbonyl groups, amides, alkanes and alkenes, were obtained on a Fourier-transform infrared spectroscopy (FTIR) spectrum. The peak at 3 keV on the energy dispersive X-ray spectrum (EDX) validated the presence of silver (Ag). Mace-silver nanoparticles exhibited potent antifungal and antibacterial activity against several pathogenic microorganisms. Additionally, the synthesized mace-AgNPs displayed an excellent cytotoxic effect against the human cervical cancer cell line. The mace-AgNPs demonstrated robust antibacterial, antifungal, and cytotoxic activity, indicating that the mace-AgNPs might be used in the agrochemical industry, pharmaceutical industry, and biomedical applications. However, future studies to understand its mode of action are needed. Full article

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19 pages, 4060 KiB

Open AccessReview

Aquilaria Species (Thymelaeaceae) Distribution, Volatile and Non-Volatile Phytochemicals, Pharmacological Uses, Agarwood Grading System, and Induction Methods

by Yichen Wang, Mubasher Hussain, Zhenbin Jiang, Zhaohong Wang, Jing Gao, Fengxian Ye, Runqian Mao and He Li

Molecules 2021, 26(24), 7708; https://doi.org/10.3390/molecules26247708 - 20 Dec 2021

Cited by 23 | Viewed by 5938

Abstract

Agarwood is a highly valuable fragrant wood of Aquilaria spp. (Thymelaeaceae) which has been widely utilized in traditional medicine, religious rites, and cultural activities. This study summarizes a review on the identification of Aquilaria cultivars, volatile and non-volatile phytochemicals, pharmacological uses, and agarwood [...] Read more.

Agarwood is a highly valuable fragrant wood of Aquilaria spp. (Thymelaeaceae) which has been widely utilized in traditional medicine, religious rites, and cultural activities. This study summarizes a review on the identification of Aquilaria cultivars, volatile and non-volatile phytochemicals, pharmacological uses, and agarwood grading system to determine its quality, and different agarwood induction methods. Due to the highly demanding and depleted natural resources, the research on agarwood is still insufficient, and it has broad research and development prospects in many industries. However, due to the significant scientific nature of agarwood application, developing high-quality products and drugs from agarwood have become highly important, while no one has discussed in detail the phytochemicals uses and provided a summary until now. The main phytochemicals of agarwood include terpenoids, dominated by sesquiterpenes. For centuries, terpenoids have been used in traditional Chinese medicine and have been shown to possess various pharmacological properties, including bacteriostatic, antibacterial, sedation, analgesia, anti-inflammation, anti-asthmatic, hypoglycemic, antidepressant, and many others. Alongside biological activity screening, phytochemical advances and pharmacological research have also made certain progress. Therefore, this review discusses the research progress of agarwood in recent years and provides a reference basis for further study of Aquilaria plants and agarwood. Full article

(This article belongs to the Special Issue Current Advances in Medicinal Phytochemistry—A Themed Issue in Honour of Professor Simon Gibbons)

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12 pages, 4139 KiB

Open AccessArticle

Monolayer and Bilayer Formation of Molecular 2D Networks Assembled at the Liquid/Solid Interfaces by Solution-Based Drop-Cast Method

by Xingming Zeng, Yi Hu, Rongbin Xie, Sadaf Bashir Khan and Shern-Long Lee

Molecules 2021, 26(24), 7707; https://doi.org/10.3390/molecules26247707 - 20 Dec 2021

Cited by 5 | Viewed by 3268

Abstract

In recent years, extending self-assembled structures from two-dimensions (2D) to three-dimensions (3D) has been a paradigm in surface supramolecular chemistry and contemporary nanotechnology. Using organic molecules of p-terphenyl-3,5,3′,5′-tetracarboxylic acid (TPTC), and scanning tunneling microscopy (STM), we present a simple route, that is the [...] Read more.

In recent years, extending self-assembled structures from two-dimensions (2D) to three-dimensions (3D) has been a paradigm in surface supramolecular chemistry and contemporary nanotechnology. Using organic molecules of p-terphenyl-3,5,3′,5′-tetracarboxylic acid (TPTC), and scanning tunneling microscopy (STM), we present a simple route, that is the control of the solute solubility in a sample solution, to achieve the vertical growth of supramolecular self-assemblies, which would otherwise form monolayers at the organic solvent/graphite interface. Presumably, the bilayer formations were based on π-conjugated overlapped molecular dimers that worked as nuclei to induce the yielding of the second layer. We also tested other molecules, including trimesic acid (TMA) and 1,3,5-tris(4-carboxyphenyl)-benzene (BTB), as well as the further application of our methodology, demonstrating the facile preparation of layered assemblies. Full article

(This article belongs to the Special Issue 25th Anniversary of Molecules—Recent Advances in Materials Chemistry)

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(a) Chemical structure of TPTC and five possible arrangements constituting the glass-like random-tiling assembly. (b,c) Large-scale and high-resolution STM images for the TPTC self-assembly at the OA/HOPG interface. Scanning parameters: Vs = −0.9 V, It = 75 pA for (b) and 100 pA for (c). (d) A proposed bilayer model where molecules in the bottom and top layers are in dark and light blue, respectively. Full article ">Figure 2
(a–d) STM images showing the dynamics of the formation of bilayer TPTC. Scanning parameters: Vs = −0.9 V, It = 75 pA. (e) Statistics of the surface coverage for the monolayers, bilayers, and defects at different time. As the scanning time prolongs, some molecules can adsorb onto the surface of the monolayers. Thus, the monolayers gradually transfer into bilayers. Full article ">Figure 3
STM images show the bilayer formation via our methodology. (a,b) Chemical structures for TMA and BTB. (c,d) Self-assembled bilayer structures for TMA and BTB. (e,f) The corresponding models. The blue arrows in the STM images indicate the HOPG direction. The dark contrast in STM images reveals the monolayers, namely, the bottom layer of either TMA or BTB system. The dark and light blue parts in the models indicate the bottom and top layers of the packing. Scanning parameters: Vs = −0.9 V, It = 75 pA. Full article ">Scheme 1
The schematic illustration representing the method developed in this work for forcing the vertical growth of TPTC. Solution I in which all the TPTCs were dissolved was prepared by one-hour sonication. Solution II in which some un-dissolved TPTCs existed was shaken by hand for 3 s. Full article ">Scheme 2
Illustration shows the way of the bilayer formation. For ease of distinguishing, the top and bottom layers of TPTC are in yellow and blue circle shapes, respectively. The purple circle represents the solvent molecule. Full article ">

21 pages, 887 KiB

Open AccessArticle

The Aerial Parts of Agrimonia procera Wallr. and Agrimonia eupatoria L. as a Source of Polyphenols, and Especially Agrimoniin and Flavonoids

by Elżbieta Karlińska, Beata Romanowska and Monika Kosmala

Molecules 2021, 26(24), 7706; https://doi.org/10.3390/molecules26247706 - 20 Dec 2021

Cited by 9 | Viewed by 3041

Abstract

Plants of the genus Agrimonia L. perfectly fit the current trends in nutrition and food technology, namely, the need for raw materials with a high content of bioactive natural compounds, including polyphenols, which could be added to food. The composition of polyphenolics, including [...] Read more.

Plants of the genus Agrimonia L. perfectly fit the current trends in nutrition and food technology, namely, the need for raw materials with a high content of bioactive natural compounds, including polyphenols, which could be added to food. The composition of polyphenolics, including agrimoniin and flavonoids, in the aerial parts of Agrimonia procera Wallr. (A. procera) and Agrimonia eupatoria L. (A. eupatoria) (Rosaceae) was determined using HPLC-DAD-MS. The polyphenolic content of A. procera was found to be 3.9%, 3.2%, 2.9%, 1.8% and 1.1%, and that of A. eupatoria was determined to be 1.3%, 0.3%, 0.9%, 0.6% and 0.5% in the dry matter of leaves, stems, fruits, seeds and hypanthia, respectively. Except for A. procera hypanthia, agrimoniin was the main polyphenolic compound in the aerial parts of the studied Agrimonia species. Both plants are also a valuable source of flavonoid glycosides, especially apigenin, luteolin and quercetin. The obtained data indicate that both A. procera and A. eupatoria are potentially good sources of polyphenols (albeit significantly different in terms of their qualitative and quantitative composition), and may not only be a medicinal raw material, but also a valuable material for food use such as nutraceuticals or functional food ingredients. Full article

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Principal component analysis (PC1 and PC2) of A. procera at five development stages. (A): The loading values of response values (polyphenols concentration) on PC1 and PC2 from PCA. (B): Observations on the same PCA axes. Variables: 1—agrimoniin; 2—ellagic acid; 3—luteolin 7-O-glucuronide; 4—luteolin 7-O-glucoside; 5—apigenin 7-O-glucuronide; 6—apigenin 7-O-glucoside; 7—quercetin arabinoglycoside; 8—quercetin 3-O-rhamnoglucoside; 9—quercetin 3-O-galactoside; 10—kaempferol 3-O glucoside; 11—sum of kaempferol-3-O-β-d-(6″-E-p-coumaroyl)-glucopyranoside. Observations: cluster a: leaves of A. procera in all analyzed stages of development; cluster b: stems of A. procera in all analyzed stages of development; cluster c: fruits of A. procera: during the development of fruits and seeds (S3), at the beginning of fruit and seed ripening (S4), and at full maturity of fruits and seeds (S5); hypanthia in full maturity of fruits and seeds (S5); cluster d: seeds of A. procera: during the development of fruits and seeds (S3), at the beginning of fruit and seed ripening (S4), and at full maturity of fruits and seeds (S5); cluster e: hypanthia of A. procera: during the development of fruits and seeds (S3), and at the beginning of fruit and seed ripening (S4). Full article ">Figure 2
Principal component analysis (PC1 and PC2) of A. eupatoria at five development stages. (A) The loading values of response values (polyphenols concentration) on PC1 and PC2 from PCA. (B) Observations on the same PCA axes. Variables: 1—agrimoniin; 2—ellagic acid; 3—luteolin 7-O-glucuronide; 4—luteolin 7-O-glucoside; 5—apigenin 7-O-glucuronide; 6—apigenin 7-O-glucoside; 7—apigenin 8-C-glucoside; 8—apigenin 6-C-glucoside 9—quercetin 3-O-rhamnoglucoside; 10—quercetin 3-O-galactoside; 11—quercetin 3-O-rhamnoside; 12—sum of kaempferol-3-O-β-d-(6″-E-p-coumaroyl)-glucopyranoside. Observations: cluster a: leaves of A. eupatoria in all analyzed stages of development; cluster b: stems of A. eupatoria in all analyzed stages of development; hypanthia of A. eupatoria during the development of fruits and seeds (S3), and at the beginning of fruit and seed ripening (S4); cluster c: fruits and seeds of A. eupatoria in all analyzed stages of development; hypanthia of A. eupatoria during full maturity of fruits and seeds (S5). Full article ">

14 pages, 3636 KiB

Open AccessArticle

Separation and Quantification of Selected Sapogenins Extracted from Nettle, White Dead-Nettle, Common Soapwort and Washnut

by Magdalena Ligor, Anna Kiełbasa, Ileana-Andreea Ratiu and Bogusław Buszewski

Molecules 2021, 26(24), 7705; https://doi.org/10.3390/molecules26247705 - 20 Dec 2021

Cited by 4 | Viewed by 3157

Abstract

Saponins are an important group of secondary metabolites naturally occurring in plants with important properties like: antibacterial, antiviral and antifungal. Moreover, they are widely used in the cosmetic industry and household chemistry. The sapogenins are saponin hydrolyses products, frequently used to facilitate saponin [...] Read more.

Saponins are an important group of secondary metabolites naturally occurring in plants with important properties like: antibacterial, antiviral and antifungal. Moreover, they are widely used in the cosmetic industry and household chemistry. The sapogenins are saponin hydrolyses products, frequently used to facilitate saponin detection. In the present study, an improved methodology for isolation and separation of five sapogenins extracted from nettle (Urtica dioica L.), white dead-nettle (Lamium album L.), common soapwort (Saponaria officinalis L.) and washnut (Sapindus mukorossi Gaertn.) was developed using ultra-high-performance liquid chromatography with an evaporative light-scattering detector (UHPLC-ELSD). Based on quantitative analysis, the highest content of hederagenin (999.1 ± 6.3 µg/g) and oleanolic acid (386.5 ± 27.7 µg/g) was found in washnut extracts. Good recoveries (71% ± 6 up to 99% ± 8) were achieved for four investigated targets, while just 22.2% ± 0.5 was obtained for the fifth one. Moreover, hederagenin and oleanolic acid of whose highest amount was detected in washnut (999.1 ± 6.3 µg/g and 386.5 ± 27.7 µg/g, respectively) were subject to another approach. Consequently, liquid chromatography coupled mass spectrometry (LC/MS) with multiple reaction monitoring mode (MRM) was used as an additional technique for fast and simultaneous identification of the mentioned targets. Full article

(This article belongs to the Special Issue Isolation and Structure Determination of Bioactive Natural Products)

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General structure of saponins. Full article ">Figure 2
Applications of saponins due to their physicochemical and biological properties as well as their featured structural diversity. Full article ">Figure 3
MS spectra of hederagenin (A; negative polarization, m/z 471.1), oleanolic acid (B; negative polarization, m/z 455.2) and example of LC/MS chromatogram of washnut extract (C). Full article ">Figure 4
The quantitative content of medicagenic acid, bayogenin, hederagenin, soyasapogenol B and oleanolic acid in extracts of nettle, white dead-nettle, common soapwort and washnut. Full article ">Figure 5
The variation of the surface tension versus the increasing solution concentration. Data are expressed as mean ± SD of three independent experiments. (-♦-) washnut water solution. Full article ">Figure 6
The variation of the surface tension versus mixing time of solutions containing washnut. Full article ">Figure 7
Sapogenin formation during an acid hydrolysis (hederagenin as example). Full article ">

31 pages, 2495 KiB

Open AccessReview

Spectral Properties of Foams and Emulsions

by Andra Dinache, Mihail-Lucian Pascu and Adriana Smarandache

Molecules 2021, 26(24), 7704; https://doi.org/10.3390/molecules26247704 - 20 Dec 2021

Cited by 10 | Viewed by 4344

Abstract

The optical and spectral properties of foams and emulsions provide information about their micro-/nanostructures, chemical and time stability and molecular data of their components. Foams and emulsions are collections of different kinds of bubbles or drops with particular properties. A summary of various [...] Read more.

The optical and spectral properties of foams and emulsions provide information about their micro-/nanostructures, chemical and time stability and molecular data of their components. Foams and emulsions are collections of different kinds of bubbles or drops with particular properties. A summary of various surfactant and emulsifier types is performed here, as well as an overview of methods for producing foams and emulsions. Absorption, reflectance, and vibrational spectroscopy (Fourier Transform Infrared spectroscopy-FTIR, Raman spectroscopy) studies are detailed in connection with the spectral characterization techniques of colloidal systems. Diffusing Wave Spectroscopy (DWS) data for foams and emulsions are likewise introduced. The utility of spectroscopic approaches has grown as processing power and analysis capabilities have improved. In addition, lasers offer advantages due to the specific properties of the emitted beams which allow focusing on very small volumes and enable accurate, fast, and high spatial resolution sample characterization. Emulsions and foams provide exceptional sensitive bases for measuring low concentrations of molecules down to the level of traces using spectroscopy techniques, thus opening new horizons in microfluidics. Full article

(This article belongs to the Special Issue Laser/Optical Spectroscopy: Development and Applications)

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Surfactant molecular aggregates. Full article ">Figure 2
Foam generation in aqueous Vancomycin droplets (Vd = 5μL) during the second harmonic (λ = 532 nm) of Nd:YAG fundamental laser irradiation. Full article ">Figure 3
Optical characterization of POL: FTIR spectra of both solution and foam sample showing the vibrational changes of molecules induced by foam generation procedure (Tessari’s double syringe method) (a), and UV-Vis-NIR absorption spectra, with the spectrum of commercially available Aetoxisclerol (Kreussler Pharma) (b). Full article ">Figure 4
The influence of foam stability on the Raman spectra of Aetoxisclerol sclerosant drug. Full article ">Figure 5
Principle of a new laser-assisted emulsification method. Step one: mixing of the continuous phase with the dispersed phase with a double syringe method. Step two: non-resonant interaction of the coarse emulsion with the laser radiation. Full article ">Figure 6
UV-Vis absorbance spectra of vitamin A and STS 10% emulsion, 1:1 ratio, before and after exposure to laser radiation. Optical microscopy images (reflected light-DIC mode, 50X magnification) of the same samples. Full article ">

13 pages, 2511 KiB

Open AccessArticle

Nanoprecipitation of Biocompatible Poly(malic acid) Derivative, Its Ability to Encapsulate a Molecular Photothermal Agent and Photothermal Properties of the Resulting Nanoparticles

by Marian Gabriela Vargas Guerrero, Jean-Baptiste Pluta, Nathalie Bellec, Sandrine Cammas-Marion and Franck Camerel

Molecules 2021, 26(24), 7703; https://doi.org/10.3390/molecules26247703 - 20 Dec 2021

Cited by 4 | Viewed by 2540

Abstract

Biocompatible nanoparticles (NPs) of hydrophobic poly(benzyl malate) (PMLABe) were prepared by nanoprecipitation. The influence of nanoprecipitation parameters (initial PMLABe, addition rate, organic solvent/water ratio and stirring speed) were studied to optimize the resulting formulations in terms of hydrodynamic diameter (Dh) and dispersity (PDI). [...] Read more.

Biocompatible nanoparticles (NPs) of hydrophobic poly(benzyl malate) (PMLABe) were prepared by nanoprecipitation. The influence of nanoprecipitation parameters (initial PMLABe, addition rate, organic solvent/water ratio and stirring speed) were studied to optimize the resulting formulations in terms of hydrodynamic diameter (Dh) and dispersity (PDI). PMLABe NPs with a Dh of 160 nm and a PDI of 0.11 were isolated using the optimized nanoprecipitation conditions. A hydrophobic near infra-red (NIR) photothermally active nickel-bis(dithiolene) complex (Ni8C12) was then encapsulated into PMLABe NPs using the optimized nanoprecipitation conditions. The size and encapsulation efficiency of the NPs were measured, revealing that up to 50 weight percent (wt%) of Ni8C12 complex can efficiently be encapsulated with a slight increase in Dh of the corresponding Ni8C12-loaded NPs. Moreover, we have shown that NP encapsulating Ni8C12 were stable under storage conditions (4 °C) for at least 10 days. Finally, the photothermal properties of Ni8C12-loaded NPs were evaluated and a high photothermal efficiency (62.7 ± 6.0%) waswas measured with NPs incorporating 10 wt% of the Ni8C12 complex. Full article

(This article belongs to the Special Issue Molecular Photothermal Agents from Design to Applications)

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19 pages, 2364 KiB

Open AccessArticle

Improvement of the Solubilization and Extraction of Curcumin in an Edible Ternary Solvent Mixture

by Verena Huber, Laurie Muller, Johnny Hioe, Pierre Degot, Didier Touraud and Werner Kunz

Molecules 2021, 26(24), 7702; https://doi.org/10.3390/molecules26247702 - 20 Dec 2021

Cited by 9 | Viewed by 2931

Abstract

A water-free, ternary solvent mixture consisting of a natural deep eutectic solvent (NADES), ethanol, and triacetin was investigated concerning its ability to dissolve and extract curcumin from Curcuma longa L. To this purpose, 11 NADES based on choline chloride, acetylcholine, and proline were [...] Read more.

A water-free, ternary solvent mixture consisting of a natural deep eutectic solvent (NADES), ethanol, and triacetin was investigated concerning its ability to dissolve and extract curcumin from Curcuma longa L. To this purpose, 11 NADES based on choline chloride, acetylcholine, and proline were screened using UV–vis measurements. A ternary phase diagram with a particularly promising NADES, based on choline chloride and levulinic acid was recorded and the solubility domains of the monophasic region were examined and correlated with the system’s structuring via light scattering experiments. At the optimum composition, close to the critical point, the solubility of curcumin could be enhanced by a factor of >1.5 with respect to acetone. In extraction experiments, conducted at the points of highest solubility and evaluated via HPLC, a total yield of ~84% curcuminoids per rhizome could be reached. Through multiple extraction cycles, reusing the extraction solvent, an enrichment of curcuminoids could be achieved while altering the solution. When counteracting the solvent change, even higher concentrated extracts can be obtained. Full article

(This article belongs to the Special Issue Recent Advances in Eco-Friendly Deep Eutectic Solvents Research: Synthesis, Properties and Applications)

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Qualitative solubility of curcumin as determined via UV–vis in a mixture of NADES/EtOH/TriA 50:20:30 in weight. Solubility tests were conducted at room temperature. The reference samples, a ternary mixture of water/EtOH/TriA 50:20:30 (black line at the bottom), the binary mixture of EtOH/TriA 40:60 (red line in the middle, taken from P. Degot et al. [<a href="#B13-molecules-26-07702" class="html-bibr">13</a>]), and pure acetone (blue line at the top), are indicated by the horizontal lines. Full article ">Figure 2
Solubility maps of the ternary phase diagrams consisting of EtOH as the hydrotrope, TriA as the oil phase, and the hydrophilic component (a) ChCl+Lev, (b) ChCl+Lac, and (c) water (with b and c adapted from V. Huber et al. [<a href="#B10-molecules-26-07702" class="html-bibr">10</a>]). The black area labeled with 2Φ indicates the region of immiscibility in the ternary systems. The heat maps in the remaining monophasic parts of the diagrams show the solubility of curcumin, where red indicates a high solubility and purple a low one. The yellow diamonds in (a) show the compositions where extraction experiments were performed. The turquoise points labeled CP mark the critical points of the ternary systems. The turquoise points labeled RCP represent the reminiscent critical points of the binary mixtures. Full article ">Figure 3
(a) Content of all curcuminoids in the extraction solvent after multiple extraction cycles, with the reference being the saturated mixture of ChCl+Lev/EtOH/TriA (35:27.5:37.5) after seven extraction cycles. (b) Total curcuminoid content of the extraction systems based on ChCl+Lev (blue triangle), with the references containing ChCl+Lac (red circle [<a href="#B10-molecules-26-07702" class="html-bibr">10</a>]), and water (black square [<a href="#B14-molecules-26-07702" class="html-bibr">14</a>]). Moreover, the extraction samples prepared with synthetic curcumin (green down-facing triangle) and curcumin + bisdemethoxycurcumin (pink diamond) to imitate the curcuminoid content are presented. Full article ">Figure 4
Conductivity measurements of (a) the optimum composition of ChCl+Lev/EtOH/TriA (30:40:30) diluted with a binary EtOH/TriA (40:60) mixture and (b) of the extraction solutions after multiple cycles of extraction. Full article ">

10 pages, 991 KiB

Open AccessArticle

Dragon Fruit Foliage: An Agricultural Cellulosic Source to Extract Cellulose Nanomaterials

by Tuyet Phung Thi Anh, Toan Viet Nguyen, Phuong Thi Hoang, Phuong Vu Thi, Thoa Nguyen Kim, Quyen Nguyen Van, Chien Nguyen Van and Yen Dao Hai

Molecules 2021, 26(24), 7701; https://doi.org/10.3390/molecules26247701 - 20 Dec 2021

Cited by 5 | Viewed by 3623

Abstract

In this report, we focus our effort to extract cellulose nanomaterials (CNs) from an agricultural cellulosic waste, Dragon Fruit foliage (DFF). DFF was first pretreated by several mechanical treatments and then bleached by chemical treatment to obtain bleached DFF. CNs were then produced [...] Read more.

In this report, we focus our effort to extract cellulose nanomaterials (CNs) from an agricultural cellulosic waste, Dragon Fruit foliage (DFF). DFF was first pretreated by several mechanical treatments and then bleached by chemical treatment to obtain bleached DFF. CNs were then produced from the hydrolysis of the bleached DFF catalyzed by sulfuric acid. We obtained CNs with a small diameter (50 to 130 nm) and length (100 to 500 nm) and a height of 3 to 10 nm. The CNs have a high crystallinity (crystallinity index 84.8%), high −COOH content (0.74 mmol·g⁻¹), good thermal stability and a good Cu (II) adsorption capacity with an adsorption maximum of ~103 mg·g⁻¹. These findings demonstrated the great potential of converting many agricultural cellulosic wastes into valuable cellulose nanomaterials. Full article

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Dragon Fruit foliage (DFF) during the harvest season in Hai Duong, Vietnam. Collected DFF were air dried and mechanically milled into fine particles, as shown in the inset. Full article ">Figure 2
(A) Image of bleached DFF with scanning electron microscopy (SEM) images. (B) Image of dried cellulose nanomaterials, CNs, obtained after the freeze-drying process with an inset showing the dispersion of CNs in water after 7 days. Full article ">Figure 3
Fourier transform infrared spectra of raw DFF (black), bleached DFF (blue) and CNs (red). Full article ">Figure 4
XRD patterns of a raw DFF (black), bleached DFF (blue) and CN (red) samples, an inset table showing the crystallinity index. Full article ">Figure 5
(A) Thermogravimetric Analysis TGA and (B) Differential Thermal Analysis (DTG) curves of CN samples recorded in air. Full article ">Figure 6
Atomic force microscopy of CNs (A) Z-height topography with height profile (B) 3D image collected from tapping mode. Full article ">

9 pages, 2041 KiB

Open AccessArticle

The Adsorption Behavior of Gas Molecules on Co/N Co–Doped Graphene

by Tingyue Xie, Ping Wang, Cuifeng Tian, Guozheng Zhao, Jianfeng Jia, Chenxu Zhao and Haishun Wu

Molecules 2021, 26(24), 7700; https://doi.org/10.3390/molecules26247700 - 20 Dec 2021

Cited by 6 | Viewed by 2640

Abstract

Herein, we have used density functional theory (DFT) to investigate the adsorption behavior of gas molecules on Co/N₃ co–doped graphene (Co/N₃–gra). We have investigated the geometric stability, electric properties, and magnetic properties comprehensively upon the interaction between Co/N₃–gra [...] Read more.

Herein, we have used density functional theory (DFT) to investigate the adsorption behavior of gas molecules on Co/N₃ co–doped graphene (Co/N₃–gra). We have investigated the geometric stability, electric properties, and magnetic properties comprehensively upon the interaction between Co/N₃–gra and gas molecules. The binding energy of Co is −5.13 eV, which is big enough for application in gas adsorption. For the adsorption of C₂H₄, CO, NO₂, and SO₂ on Co/N–gra, the molecules may act as donors or acceptors of electrons, which can lead to charge transfer (range from 0.38 to 0.7 e) and eventually change the conductivity of Co/N–gra. The CO adsorbed Co/N₃–gra complex exhibits a semiconductor property and the NO₂/SO₂ adsorption can regulate the magnetic properties of Co/N₃–gra. Moreover, the Co/N₃–gra system can be applied as a gas sensor of CO and SO₂ with high stability. Thus, we assume that our results can pave the way for the further study of gas sensor and spintronic devices. Full article

(This article belongs to the Special Issue Advanced Research in Magnetic Nanoparticles)

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The (a) top view and (b) side view of fully optimized configuration of Co/N3–gra. The red dotted line in (a) denotes the unit cell. Full article ">Figure 2
The charge density difference of Co/N3–gra with (a) C2H2, (b) CO, (c) NO2, and (d) SO2 adsorbed on it. The yellow and blue areas indicate the accumulation and depletion of charge, respectively. Isosurface value: 0.002 e/Bohr3. Full article ">Figure 3
The density of states of gas molecules, including C2H2 (a), CO (b), NO2 (c), and SO2 (d), adsorbed Co/N3–gra, with the up (down) spin denoted as ↑ (↓). The dotted line indicates the Fermi level. Full article ">Figure 4
The spin density (Δρ = Δρ↑ − Δρ↓) of Co/N3–gra with (a) C2H2, (b) CO, (c) NO2, and (d) SO2 adsorbed on it. The yellow and blue areas indicate the positive and negative spin density respectively, isosurface value: 0.005 e/Bohr3. Full article ">Figure 5
(a) The adsorption configuration of CO2 on Co/N3–gra; (b) The charge density difference of Co/N3–gra with CO2 adsorbed on it. The yellow and blue areas indicate the accumulation and depletion of charge respectively, isosurface value: 0.002 e/Bohr3. (c) The The spin density (Δρ = Δρ↑ − Δρ↓) of Co/N3–gra with CO2 adsorbed on it. The yellow and blue areas indicate the positive and negative spin density respectively, isosurface value: 0.005 e/Bohr3. Full article ">

21 pages, 967 KiB

Open AccessReview

Applications of Cannabis Sativa L. in Food and Its Therapeutic Potential: From a Prohibited Drug to a Nutritional Supplement

by Amna Iftikhar, Umaima Zafar, Waqar Ahmed, Muhammad Asim Shabbir, Aysha Sameen, Amna Sahar, Zuhaib F. Bhat, Przemysław Łukasz Kowalczewski, Maciej Jarzębski and Rana Muhammad Aadil

Molecules 2021, 26(24), 7699; https://doi.org/10.3390/molecules26247699 - 20 Dec 2021

Cited by 47 | Viewed by 10112

Abstract

Hemp (Cannabis sativa L.) is a herbaceous anemophilous plant that belongs to the Cannabinaceae family. The cannabis seed (hemp) has long been utilized as a food source and is commercially important as an edible oil source. In this review, the positive and [...] Read more.

Hemp (Cannabis sativa L.) is a herbaceous anemophilous plant that belongs to the Cannabinaceae family. The cannabis seed (hemp) has long been utilized as a food source and is commercially important as an edible oil source. In this review, the positive and negative health effects of cannabis, the relationship between cannabis and various diseases, and the use of cannabis in various food products have been discussed. In addition, the scientific literature on the potential use of cannabis and its derivatives as a dietary supplement for the prevention and treatment of inflammatory and chronic degenerative diseases in animals and humans has been reviewed. Cannabis is being developed as a key ingredient in a variety of food items, including bakery, confectionery, beverages, dairy, fruits, vegetables, and meat. Hemp seeds are high in readily digestible proteins, lipids, polyunsaturated fatty acids (PUFA), insoluble fiber, carbs, and favorable omega-6 PUFA acid to omega-3 PUFA ratio and have high nutritional value. The antioxidants of cannabis, such as polyphenols, help with anxiety, oxidative stress, and the risk of chronic illnesses, including cancer, neurological disorders, digestive problems, and skin diseases. Cannabis has been shown to have negative health impacts on the respiratory system, driving, and psychomotor functions, and the reproductive system. Overall, the purpose of this research is to stimulate more in-depth research on cannabis’s adaptation in various foods and for the treatment of chronic illnesses. Full article

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

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19 pages, 2222 KiB

Open AccessArticle

Interactions of Ascorbic Acid, 5-Caffeoylquinic Acid, and Quercetin-3-Rutinoside in the Presence and Absence of Iron during Thermal Processing and the Influence on Antioxidant Activity

by Layla Engelhardt, Tobias Pöhnl and Susanne Neugart

Molecules 2021, 26(24), 7698; https://doi.org/10.3390/molecules26247698 - 20 Dec 2021

Cited by 10 | Viewed by 2887

Abstract

Bioactive compounds in fruit and vegetables influence each other’s antioxidant activity. Pure standards, and mixtures of the common plant compounds, namely ascorbic acid, 5-caffeoylquinic acid, and quercetin-3-rutinoside (sum 0.3 mM), in the presence and absence of iron, were analyzed pre- and post-thermal processing [...] Read more.

Bioactive compounds in fruit and vegetables influence each other’s antioxidant activity. Pure standards, and mixtures of the common plant compounds, namely ascorbic acid, 5-caffeoylquinic acid, and quercetin-3-rutinoside (sum 0.3 mM), in the presence and absence of iron, were analyzed pre- and post-thermal processing in an aqueous solution. Antioxidant activity was measured by total phenolic content (TPC), 1,1-diphenyl-2-picrylhydrazyl (DPPH), and 2,2′-azino-bis (3-ethylbenzothiazoline-6-sulfonic acid) (TEAC) radical-scavenging assays. Ionic ferrous iron (Fe²⁺) and ferric iron (Fe³⁺) were measured photometrically. For qualification and quantification of reaction products, HPLC was used. Results showed that thermal processing does not necessarily lead to a decreased antioxidant activity, even if the compound concentrations decreased, as then degradation products themselves have an antioxidant activity. In all used antioxidant assays the 2:1 ratio of ascorbic acid and 5-caffeoylquinic acid in the presence of iron had strong synergistic effects, while the 1:2 ratio had strong antagonistic effects. The pro-oxidant iron positively influenced the antioxidant activity in combination with the used antioxidants, while ferrous iron itself interacted with common in vitro assays for total antioxidant activity. These results indicate that the antioxidant activity of compounds is influenced by factors such as interaction with other molecules, temperature, and the minerals present. Full article

(This article belongs to the Special Issue Bioactive Compounds from Natural Sources (2020, 2021))

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Graphical abstract

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Full article ">Figure 1
Influence of cooking time (0, 10, 20, and 40 min) on ascorbic acid (AsA; yellow), 5-caffeoylquinic acid (CQA; red), quercetin-3-rutinoside (Rutin; blue) with (solid lines) and without (dashed lines) iron (Fe) on antioxidant activity (AOA); standard deviation not shown. All samples were tested using (a) TEAC, (b) DPPH, and (c) TPC assays. Significant differences (p ≤ 0.05 by Tukey’s HSD test (n = 3)) with different cooking times of the same substance and between samples with and without iron are marked with an asterisk *. Differences to 0 min cooked samples of the same substance are marked with a triangle ▲. Letters indicate differences between the three substances as mean values over all measured times and are comparable to results of the same test assay in <a href="#molecules-26-07698-f002" class="html-fig">Figure 2</a> and <a href="#molecules-26-07698-f003" class="html-fig">Figure 3</a>. Full article ">Figure 2
Influence of cooking time (0, 10, 20, and 40 min) on binary mixtures of ascorbic acid (AsA), 5-caffeoylquinic acid (CQA), quercetin-3-rutinoside (Rutin) with (solid lines) and without (dashed lines) iron (Fe) on antioxidant activity (AOA); standard deviation not shown. All samples tested using (a–c) TEAC, (d–f) DPPH, and (g–i) TPC assays. Colors indicate the different mixing ratios: equimolar mixtures are yellow, 1:2 ratios are red, and 2:1 ratios are blue. Significant differences (p ≤ 0.05 by Tukey’s HSD test (n = 3)) within different cooking times of the same substance and between samples with and without iron are marked with an asterisk *. Letters indicate differences between substance mixtures and ratios as mean values over all measured times and are comparable to results of the same test assay in <a href="#molecules-26-07698-f001" class="html-fig">Figure 1</a> and <a href="#molecules-26-07698-f003" class="html-fig">Figure 3</a>. Full article ">Figure 3
Influence of cooking time (0, 10, 20, and 40 min) on ternary mixtures of ascorbic acid (AsA), 5-caffeoylquinic acid (CQA), quercetin-3-rutinoside (Rutin) with (solid lines) and without (dashed lines) iron (Fe) on AOA; standard deviation not shown. All samples tested using (a–c) TEAC, (d–f) DPPH, and (g–i) TPC assays. Colors indicate different mixing ratios. Significant differences (p ≤ 0.05 by Tukey’s HSD test (n = 3)) with different exposure times of the same substance and between samples with and without iron are marked with an asterisk *. Letters indicate differences between substance mixtures and ratios as mean values over all measured times and are comparable to results of the same test assay in <a href="#molecules-26-07698-f001" class="html-fig">Figure 1</a> and <a href="#molecules-26-07698-f002" class="html-fig">Figure 2</a>. Full article ">Figure 4
Synergistic and antagonistic effects based on calculated and experimental antioxidant activity (AOA) using (a) TEAC, (b) DPPH, and (c) TPC assays. Dots below the solid line indicate antagonistic, and above the solid line synergistic, effects. Colors indicate different mixtures, while samples with iron are marked with a dot, and those without iron are marked with a triangle. Dashed lines indicate weak antagonism (−10%)/synergism (+10%) with less than 10% interaction between the experimental and calculated AOA. Full article ">Figure 5
HPLC-DAD chromatograms of the 1:1:1 ratio of ascorbic acid, 5-caffeoylquinic acid, and quercetin-3-rutinoside (a) after 40 min cooking in the absence of iron, and (b) after 40 min cooking in the presence of iron. 1: ascorbic acid, 2: insert peak, 3: ascorbic acid derivate, 4: ascorbic acid derivate, 5: 5-caffeoylquinic acid, 6: caffeic acid; 7: 5-caffeoylquinic acid derivate, 8: quercetin-3-rutinoside derivate, 9: quercetin-3-rutinoside, 10: impurity of the quercetin-3-rutinoside standard. Full article ">

36 pages, 4730 KiB

Open AccessReview

Highly Valuable Polyunsaturated Fatty Acids from Microalgae: Strategies to Improve Their Yields and Their Potential Exploitation in Aquaculture

by Anna Santin, Monia Teresa Russo, Maria Immacolata Ferrante, Sergio Balzano, Ida Orefice and Angela Sardo

Molecules 2021, 26(24), 7697; https://doi.org/10.3390/molecules26247697 - 20 Dec 2021

Cited by 31 | Viewed by 6176

Abstract

Microalgae have a great potential for the production of healthy food and feed supplements. Their ability to convert carbon into high-value compounds and to be cultured in large scale without interfering with crop cultivation makes these photosynthetic microorganisms promising for the sustainable production [...] Read more.

Microalgae have a great potential for the production of healthy food and feed supplements. Their ability to convert carbon into high-value compounds and to be cultured in large scale without interfering with crop cultivation makes these photosynthetic microorganisms promising for the sustainable production of lipids. In particular, microalgae represent an alternative source of polyunsaturated fatty acids (PUFAs), whose consumption is related to various health benefits for humans and animals. In recent years, several strategies to improve PUFAs’ production in microalgae have been investigated. Such strategies include selecting the best performing species and strains and the optimization of culturing conditions, with special emphasis on the different cultivation systems and the effect of different abiotic factors on PUFAs’ accumulation in microalgae. Moreover, developments and results obtained through the most modern genetic and metabolic engineering techniques are described, focusing on the strategies that lead to an increased lipid production or an altered PUFAs’ profile. Additionally, we provide an overview of biotechnological applications of PUFAs derived from microalgae as safe and sustainable organisms, such as aquafeed and food ingredients, and of the main techniques (and their related issues) for PUFAs’ extraction and purification from microalgal biomass. Full article

(This article belongs to the Special Issue Metabolites from Algae: Discovery, Identification and Bioactive Evaluation)

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Main polyunsaturated fatty acid (PUFA)-producing microorganisms and associated high-value products. Full article ">Figure 2
Schematic representation of microalgal lipid pathways. The enzymes are shown in squares with different colors, depending on the genetic manipulation that occurred: red for silencing or knock-out, green for overexpression, and blue for heterologous expression. Cellular organelles involved are plastid, endoplasmic reticulum, peroxisome, mitochondria cytosol, and nucleus. The numbers (from 1 to 6) near the square brackets indicate different figure sections. AA: Arachidonic Acid; ACCase: Acetyl-CoA Carboxylase; ACP: Acyl Carrier Protein; ADP-glucose: Adenosine-Diphosphate Glucose; AGPase: ADP-Glucose Pyrophosphorylase; bHLH2: Basic Helix-Loop-Helix transcription factor 2; bZIP: Basic Leucine Zipper transcription factor; CoA: Coenzyme A; DAG: Diacylglycerol; DES: Desaturase (the number near the Greek letter Δ indicates that the double bond is created at a fixed position from the carboxyl end of a fatty acid chain); DGAT: Diacylglycerol Acyltransferase; DGLA: Diacylglycerol Lipase Alpha; DHA: Docosahexaenoic Acid; DOF: DNA binding with One Finger -type transcription factors; DPA: Docosapentaenoic Acid; DTA: Docosatetraenoic Acid; ELO: Elongase; EPA: Eicosapentaenoic Acid; ETA: Eicosatetraenoic Acid; FAS: Fatty Acid Synthase; G1P: Glycerol-1-Phosphate; G3P: Glycerol-3-Phosphate; GK: Glycerol Kinase; GLA: γ-Linolenic Acid; GPAT: Glycerol-3-Phosphate Acyltransferase; KAS: Beta-Ketoacyl-Acyl-carrier-protein Synthase; LA: Linoleic Acid; LPA: Lysophosphatidic Acid; LPAAT: Lysophosphatidic Acid Acyltransferase; MCAT: Malonyl CoA-Acyl carrier protein Transacylase; ME: Malic Enzyme; OA: Oleic Acid; OAA: Oxalacetic Acid; PA: Palmitic Acid; PAP: Phosphatidic Acid Phosphatase; PEP: Phosphoenolpyruvate; PEPC: Phosphoenolpyruvate Carboxylase; PDAT: Phospholipid Diacylglycerol Acyltransferase; PDH: Pyruvate Dehydrogenase; PDK: Pyruvate Dehydrogenase Kinase; PSR: Phosphorus Stress Response transcription factor; PTA: Phosphatidic acid; SA: Stearic acid; SDA: Stearidonic Acid; TAG: Triacylglycerol; TE/FAT: Thioesterase/Acyl-ACP Thioesterase; UDP-glucose: Uracil-Diphosphate Glucose; UGPase: UDP-Glucose Pyrophosphorylase; WRI: WRINKLED1 transcription factor; ZnCys: Zinc/Cysteine transcription factor. Full article ">

18 pages, 1863 KiB

Open AccessReview

Withaferin A: From Ancient Remedy to Potential Drug Candidate

by Tahira Sultana, Mohammad K. Okla, Madiha Ahmed, Nosheen Akhtar, Abdulrahman Al-Hashimi, Hamada Abdelgawad and Ihsan-ul- Haq

Molecules 2021, 26(24), 7696; https://doi.org/10.3390/molecules26247696 - 20 Dec 2021

Cited by 26 | Viewed by 4823

Abstract

Withaferin A (WA) is a pivotal withanolide that has conquered a conspicuous place in research, owning to its multidimensional biological properties. It is an abundant constituent in Withania somnifera Dunal. (Ashwagandha, WS) that is one of the prehistoric pivotal remedies in Ayurveda. This [...] Read more.

Withaferin A (WA) is a pivotal withanolide that has conquered a conspicuous place in research, owning to its multidimensional biological properties. It is an abundant constituent in Withania somnifera Dunal. (Ashwagandha, WS) that is one of the prehistoric pivotal remedies in Ayurveda. This article reviews the literature about the pharmacological profile of WA with special emphasis on its anticancer aspect. We reviewed research publications concerning WA through four databases and provided a descriptive analysis of literature without statistical or qualitative analysis. WA has been found as an effective remedy with multifaceted mechanisms and a broad spectrum of pharmacological profiles. It has anticancer, anti-inflammatory, antiherpetic, antifibrotic, antiplatelet, profibrinolytic, immunosuppressive, antipigmentation, antileishmanial, and healing potentials. Evidence for wide pharmacological actions of WA has been established by both in vivo and in vitro studies. Further, the scientific literature accentuates the role of WA harboring a variable therapeutic spectrum for integrative cancer chemoprevention and cure. WA is a modern drug from traditional medicine that is necessary to be advanced to clinical trials for advocating its utility as a commercial drug. Full article

(This article belongs to the Special Issue Isolation, Purification, Identification and In Silico Drug Discovery of Bioactive Compounds from Natural Resources)

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24 pages, 4672 KiB

Open AccessFeature PaperArticle

Synthesis, Reactivity and Antimicrobial Activity of a Series of 2-Arylamino-1,3-selenazoles

by Julia Kuchar, Katharina Reinhold, Vera Rösgen, Nils Nöthling, Christian W. Lehmann and Fabian Mohr

Molecules 2021, 26(24), 7695; https://doi.org/10.3390/molecules26247695 - 20 Dec 2021

Cited by 4 | Viewed by 2863

Abstract

A series of 2-arylamino-1,3-selenazoles was synthesized and their reactivity was studied. The 2-arylamino-1,3-selenazoles and their reaction products were characterized by various spectroscopic methods and X-ray diffraction. In addition, the antimicrobial activity of the 2-arylamino-1,3-selenazoles in a panel of seven bacteria and fungi was [...] Read more.

A series of 2-arylamino-1,3-selenazoles was synthesized and their reactivity was studied. The 2-arylamino-1,3-selenazoles and their reaction products were characterized by various spectroscopic methods and X-ray diffraction. In addition, the antimicrobial activity of the 2-arylamino-1,3-selenazoles in a panel of seven bacteria and fungi was examined. Full article

(This article belongs to the Special Issue Recent Advances in Organoselenium Chemistry)

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17 pages, 4165 KiB

Open AccessArticle

Hydrodemethoxylation/Dealkylation on Bifunctional Nanosized Zeolite Beta

by Margarita Popova, Ágnes Szegedi, Manuela Oykova, Hristina Lazarova, Neli Koseva, Magdolna R. Mihályi, Daniela Karashanova, Yavor Mitrev and Pavletta Shestakova

Molecules 2021, 26(24), 7694; https://doi.org/10.3390/molecules26247694 - 20 Dec 2021

Cited by 4 | Viewed by 3059

Abstract

Mono-, and bimetallic Ni-, Ru-, and Pt-modified nanosized Beta zeolite catalysts were prepared by the post synthesis method and characterized by powder X-ray diffraction (XRD), nitrogen physisorption, HRTEM microscopy, temperature-programmed reduction (TPR-TGA), ATR FT-IR spectroscopy, and by solid-state MAS-NMR spectroscopy. The presence of [...] Read more.

Mono-, and bimetallic Ni-, Ru-, and Pt-modified nanosized Beta zeolite catalysts were prepared by the post synthesis method and characterized by powder X-ray diffraction (XRD), nitrogen physisorption, HRTEM microscopy, temperature-programmed reduction (TPR-TGA), ATR FT-IR spectroscopy, and by solid-state MAS-NMR spectroscopy. The presence of nanosized nickel-oxide, ruthenium-oxide, and platinum species was detected on the catalysts. The presence of Brønsted and Lewis acid sites, and incorporation of nickel ions into zeolite lattice was proven by FT-IR of adsorbed pyridine. The structural changes in the catalyst matrix were investigated by solid state NMR spectroscopy. The catalysts were used in a gas-phase hydrodemethoxylation and dealkylation of 2-methoxy-4-propylphenol as a lignin derivative molecule for phenol synthesis. Full article

(This article belongs to the Special Issue Composite Porous Materials in Catalysis)

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14 pages, 32944 KiB

Open AccessArticle

Comparison of Phytochemical Contents, Antioxidant and Antibacterial Activities of Various Solvent Extracts Obtained from ‘Maluma’ Avocado Pulp Powder

by Thi-Van-Linh Nguyen, Quoc-Duy Nguyen, Nhu-Ngoc Nguyen and Thi-Thuy-Dung Nguyen

Molecules 2021, 26(24), 7693; https://doi.org/10.3390/molecules26247693 - 20 Dec 2021

Cited by 9 | Viewed by 3993

Abstract

Although avocado is a superfood rich in phytochemicals with high antioxidant activities, studies on the antibacterial properties of its pulp are limited, except for seed and peel portions. In this study, three types of solvent (acetone, methanol, and diethyl ether) were used to [...] Read more.

Although avocado is a superfood rich in phytochemicals with high antioxidant activities, studies on the antibacterial properties of its pulp are limited, except for seed and peel portions. In this study, three types of solvent (acetone, methanol, and diethyl ether) were used to obtain the extracts from “Maluma” avocado pulp powder prepared by infrared drying. The extracts were analyzed for total polyphenols, phytopigments (total chlorophylls and carotenoids), antioxidant activities (ferric-reducing antioxidant power (FRAP), 2,2-Diphenyl-1-picrylhydrazyl (DPPH), and 2,2-azino-bis(3-ethylbenzothiazoline-6-sulfonic acid (ABTS) assays), and antibacterial activities against seven pathogens (Shigella sonnei ATCC 9290, Escherichia coli ATCC 8739, Salmonella typhi ATCC 6539, Vibrio parahaemolyticus ATCC 17802, Proteus mirabilis ATCC 25933, Staphylococcus aureus ATCC 6538, and Bacillus cereus ATCC 11778). The results showed that the acetone solvent could extract the highest polyphenols and chlorophylls with the highest antioxidant activity in terms of ABTS and DPPH assays. In contrast, diethyl ether exhibited the most significant content of carotenoids and FRAP values. However, the methanol extract was the best solvent, exerting the strongest antibacterial and meaningful antioxidant activities. For the bacterial activities, Gram-positive pathogens (Bacillus cereus and Staphylococcus aureus) were inhibited more efficiently by avocado extracts than Gram-negative bacteria. Therefore, the extracts from avocado powder showed great potential for applications in food processing and preservation, pharmaceuticals, and cosmetics. Full article

(This article belongs to the Special Issue Antibacterial Agents from Natural Source)

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Physicochemical and microbiological properties of avocado powder prepared from avocado flesh (Persea Americana Mill. cv. “Maluma”). Full article ">Figure 2
Effects of solvents on the total phenolics content (TPC) and the content of phytopigments of avocado extracts. Note: capital letters represent the same group of responding variables, and values within a group with the same lowercase letters are not significantly different (p > 0.05). Full article ">Figure 3
Effects of solvents on the antioxidant activity of avocado extracts. Note: capital letters represent the same group of responding variables, and values within a group with the same lowercase letters are not significantly different (p > 0.05). Full article ">Figure 4
Visual observations of the inhibitory effects of avocado extracts against Gram-negative pathogens including Shigella sonnei ATCC 9290 (a), Escherichia coli ATCC 8739 (b), Vibrio parahaemolyticus ATCC 17802 (c), Proteus mirabilis ATCC 25933 (d), and Salmonella typhi ATCC 6539 (e). Note: A, Di, M, CIP, and (–) symbols on petri discs denote the acetone, diethyl ether, methanol extracts, ciprofloxacin (reference antibiotics), and negative control, respectively. Full article ">Figure 5
Visual observations of the inhibitory effects of avocado extracts against Gram-positive pathogens including Staphylococcus aureus ATCC 6538 (a) and Bacillus cereus ATCC 11778 (b). Note: A, Di, M, CIP, and (–) symbols on petri discs denote the acetone, diethyl ether, methanol extracts, ciprofloxacin (reference antibiotics), and negative control, respectively. Full article ">Figure 6
Flowchart showing avocado powder process. Full article ">

22 pages, 44615 KiB

Open AccessArticle

Chemical Characteristics and Antioxidant Activity of Arctostaphylos uva-ursi L. Spreng. at the Southern Border of the Geographical Range of the Species in Europe

by Piotr Sugier, Łukasz Sęczyk, Danuta Sugier, Rafał Krawczyk, Małgorzata Wójcik, Joanna Czarnecka, Sylwia Okoń and Andrzej Plak

Molecules 2021, 26(24), 7692; https://doi.org/10.3390/molecules26247692 - 20 Dec 2021

Cited by 14 | Viewed by 5570

Abstract

The bearberry (Arctostaphylos uva-ursi L. Spreng.) is a source of herbal material—bearberry leaf (Uvae ursi folium), which is highly valued and sought by pharmaceutical and cosmetic industries. For many years, leaves of this plant have been used in traditional medicine [...] Read more.

The bearberry (Arctostaphylos uva-ursi L. Spreng.) is a source of herbal material—bearberry leaf (Uvae ursi folium), which is highly valued and sought by pharmaceutical and cosmetic industries. For many years, leaves of this plant have been used in traditional medicine as a diuretic, antimicrobial, and anti-inflammatory agent for various diseases of the urogenital tract. The bearberry has also been proposed as a natural antioxidant additive due to the high contents of phenolic compounds in its leaves. The study was focused on characterization of the basic phytochemical composition and antioxidant activity of extracts derived from bearberry leaves collected from plants located at the southern border of the geographical range of the species in Europe. The investigated herbal material is characterized by a different chemical profile compared to the chemical profiles of bearberry found in other parts of the continent. Bearberry extracts from plants growing in two different habitat types—heathlands and pine forests showed a wide range of variation, especially in the concentration of hyperoside, corilagin, and methylartutin and the total flavonoid contents. In addition to arbutin, bearberry can be a valuable source of phenolic compounds, which are mainly responsible for the antioxidant properties of extracts. The high content of phenols and high values of antioxidant parameters indicate a high potential of bearberry leaves to be used as a powerful natural source of antioxidants in herbal preparations. Therefore, the A. uva-ursi populations can be a source of plant material for pharmaceutical, cosmetic, and food industries. Full article

(This article belongs to the Special Issue Bioactive Compounds from Natural Sources (2020, 2021))

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17 pages, 1737 KiB

Open AccessArticle

Effect of Plasma Activated Water on Selected Chemical Compounds of Rocket-Salad (Eruca sativa Mill.) Leaves

by Doaa Abouelenein, Simone Angeloni, Giovanni Caprioli, Jessica Genovese, Ahmed M. Mustafa, Franks Kamgang Nzekoue, Riccardo Petrelli, Pietro Rocculi, Gianni Sagratini, Silvia Tappi, Elisabetta Torregiani and Sauro Vittori

Molecules 2021, 26(24), 7691; https://doi.org/10.3390/molecules26247691 - 20 Dec 2021

Cited by 7 | Viewed by 3135

Abstract

Plasma activated water (PAW) has proven to be a promising alternative for the decontamination of rocket leaves. The impact of PAW on the volatile profile, phytosterols, and pigment content of rocket leaves was studied. Leaves were treated by PAW at different times (2, [...] Read more.

Plasma activated water (PAW) has proven to be a promising alternative for the decontamination of rocket leaves. The impact of PAW on the volatile profile, phytosterols, and pigment content of rocket leaves was studied. Leaves were treated by PAW at different times (2, 5, 10, and 20 min). Compounds of the headspace were detected and quantified using GC–MS analysis. A total of 52 volatile organic compounds of different chemical classes were identified. Glucosinolate hydrolysis products are the major chemical class. PAW application induced some chemical modifications in the volatile compounds. Changes in the content of the major compounds varied with the increase or decrease in the treatment time. However, PAW-10 and -2 were grouped closely to the control. A significant decrease in the content of β-sitosterol and campesterol was observed after PAW treatment, except for PAW-10, which showed a non-significant reduction in both compounds. A significant increase in β carotene, luteolin, and chlorophyll b was observed after the shortest treatment time of PAW-2. A reduction in chlorophyll content was also observed, which is significant only at longer treatment, or PAW-20. Overall, PAW has proven to be a safe alternative for rocket decontamination. Full article

(This article belongs to the Special Issue Featured Papers on Bioactive Flavour and Fragrance Compounds 2022)

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Representative chromatogram of the control rocket samples showing the major detected VOCs. Full article ">Figure 2
Enzymatic hydrolysis of glucoerucin by myrosinase enzyme intro erucin and erucin nitrile. Full article ">Figure 3
(A): Relative abundance of erucin nitrile in control and PAW-treated samples, (B): Relative abundance of erucin and erucin nitrile in control and PAW-5-treated sample. Full article ">Figure 4
Dendrogram obtained from hierarchical clustering analysis (HCA) based on relative compositions of 52 VOCs detected by HS-SPME GC/MS in the control and PAW-treated rocket-salad samples at different processing times. Full article ">Figure 5
Changes in β-sitosterol and campesterol content of PAW treated rocket-salad samples at different processing times compared to control samples. Means that do not share letters for each compound differ significantly (p < 0.05) according to Tukey’s test. Legends: PAW-2, PAW-5, PAW-10, and PAW-20 refer to rocket samples subjected to plasma activated water (PAW) treatment for 2, 5, 10, and 20 min, respectively. Full article ">Figure 6
Changes in β-carotene and lutein contents of PAW treated rocket-salad samples at different processing times compared to control samples. Means that do not share letters for each compound differ significantly (p < 0.05) according to Tukey’s test. Legends: PAW-2, PAW-5, PAW-10, and PAW-20 refer to rocket samples subjected to plasma activated water (PAW) treatment for 2, 5, 10, and 20 min, respectively. Full article ">Figure 7
Schematic of the experimental setup of the corona source during the production of plasma activated water. Full article ">

17 pages, 2683 KiB

Open AccessArticle

Rationalisation of Patterns of Competing Reactivity by X-ray Structure Determination: Reaction of Isomeric (Benzyloxythienyl)oxazolines with a Base

by R. Alan Aitken, Andrew D. Harper and Alexandra M. Z. Slawin

Molecules 2021, 26(24), 7690; https://doi.org/10.3390/molecules26247690 - 20 Dec 2021

Cited by 6 | Viewed by 2699

Abstract

Three isomeric (benzyloxythienyl)oxazolines 9, 11 and 13 have been prepared and are found, upon treatment with a strong base, to undergo either Wittig rearrangement or intramolecular attack of the benzylic anion on the oxazoline function to give products derived from cleavage of [...] Read more.

Three isomeric (benzyloxythienyl)oxazolines 9, 11 and 13 have been prepared and are found, upon treatment with a strong base, to undergo either Wittig rearrangement or intramolecular attack of the benzylic anion on the oxazoline function to give products derived from cleavage of the initially formed 3-aminothienofuran products. This pattern of reactivity is directly linked to the distance between the two reactive groups as determined by X-ray diffraction, with the greatest distance in 11 leading to exclusive Wittig rearrangement, the shortest distance in 13 giving exclusively cyclisation-derived products, and the intermediate distance in 9 leading to both processes being observed. The corresponding N-butyl amides were also obtained in two cases and one of these undergoes efficient Wittig rearrangement leading to a thieno[2,3-c]pyrrolone product. Full article

(This article belongs to the Special Issue Advances in Chemical Crystallography: A Themed Issue Honoring Professor Alexandra M. Z. Slawin on the Occasion of Her 60th Birthday)

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22 pages, 5476 KiB

Open AccessArticle

Stevioside Attenuates Insulin Resistance in Skeletal Muscle by Facilitating IR/IRS-1/Akt/GLUT 4 Signaling Pathways: An In Vivo and In Silico Approach

by Abilasha Deenadayalan, Vijayalakshmi Subramanian, Vijayalakshmi Paramasivan, Vishnu Priya Veeraraghavan, Gayathri Rengasamy, Janaki Coiambatore Sadagopan, Ponnulakshmi Rajagopal and Selvaraj Jayaraman

Molecules 2021, 26(24), 7689; https://doi.org/10.3390/molecules26247689 - 20 Dec 2021

Cited by 18 | Viewed by 4069

Abstract

Type-2 diabetes mellitus (T2DM), the leading global health burden of this century majorly develops due to obesity and hyperglycemia-induced oxidative stress in skeletal muscles. Hence, developing novel drugs that ameliorate these pathological events is an immediate priority. The study was designed to analyze [...] Read more.

Type-2 diabetes mellitus (T2DM), the leading global health burden of this century majorly develops due to obesity and hyperglycemia-induced oxidative stress in skeletal muscles. Hence, developing novel drugs that ameliorate these pathological events is an immediate priority. The study was designed to analyze the possible role of Stevioside, a characteristic sugar from leaves of Stevia rebaudiana (Bertoni) on insulin signaling molecules in gastrocnemius muscle of obesity and hyperglycemia-induced T2DM rats. Adult male Wistar rats rendered diabetic by administration of high fat diet (HFD) and sucrose for 60 days were orally administered with SIT (20 mg/kg/day) for 45 days. Various parameters were estimated including fasting blood glucose (FBG), serum lipid profile, oxidative stress markers, antioxidant enzymes and expression of insulin signaling molecules in diabetic gastrocnemius muscle. Stevioside treatment improved glucose and insulin tolerances in diabetic rats and restored their elevated levels of FBG, serum insulin and lipid profile to normalcy. In diabetic gastrocnemius muscles, Setvioside normalized the altered levels of lipid peroxidase (LPO), hydrogen peroxide (H₂O₂) and hydroxyl radical (OH*), antioxidant enzymes (CAT, SOD, GPx and GSH) and molecules of insulin signaling including insulin receptor (IR), insulin receptor substrate-1 (IRS-1) and Akt mRNA levels. Furthermore, Stevioside enhanced glucose uptake (GU) and oxidation in diabetic muscles by augmenting glucose transporter 4 (GLUT 4) synthesis very effectively in a similar way to metformin. Results of molecular docking analysis evidenced the higher binding affinity with IRS-1 and GLUT 4. Stevioside effectively inhibits oxidative stress and promotes glucose uptake in diabetic gastrocnemius muscles by activating IR/IRS-1/Akt/GLUT 4 pathway. The results of the in silico investigation matched those of the in vivo study. Hence, Stevioside could be considered as a promising phytomedicine to treat T2DM. Full article

(This article belongs to the Special Issue Bioactive Molecules for Biodegradation and Antimicrobials)

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14 pages, 1203 KiB

Open AccessArticle

Theoretical Investigation of Carbon Dioxide Adsorption on Li⁺-Decorated Nanoflakes

by Igor K. Petrushenko, Nikolay A. Ivanov and Konstantin B. Petrushenko

Molecules 2021, 26(24), 7688; https://doi.org/10.3390/molecules26247688 - 20 Dec 2021

Cited by 11 | Viewed by 2750

Abstract

Recently, the capture of carbon dioxide, the primary greenhouse gas, has attracted particular interest from researchers worldwide. In the present work, several theoretical methods have been used to study adsorption of CO₂ molecules on Li⁺-decorated coronene (Li⁺@coronene). It [...] Read more.

Recently, the capture of carbon dioxide, the primary greenhouse gas, has attracted particular interest from researchers worldwide. In the present work, several theoretical methods have been used to study adsorption of CO₂ molecules on Li⁺-decorated coronene (Li⁺@coronene). It has been established that Li⁺ can be strongly anchored on coronene, and then a physical adsorption of CO₂ will occur in the vicinity of this cation. Moreover, such a decoration has substantially improved interaction energy (E_int) between CO₂ molecules and the adsorbent. One to twelve CO₂ molecules per one Li⁺ have been considered, and their E_int values are in the range from −5.55 to −16.87 kcal/mol. Symmetry-adapted perturbation theory (SAPT0) calculations have shown that, depending on the quantity of adsorbed CO₂ molecules, different energy components act as the main reason for attraction. AIMD simulations allow estimating gravimetric densities (GD, wt.%) at various temperatures, and the maximal GDs have been calculated to be 9.3, 6.0, and 4.9% at T = 77, 300, and 400 K, respectively. Besides this, AIMD calculations validate stability of Li⁺@coronene complexes during simulation time at the maximum CO₂ loading. Bader’s atoms-in-molecules (QTAIM) and independent gradient model (IGM) techniques have been implemented to unveil the features of interactions between CO₂ and Li⁺@coronene. These methods have proved that there exists a non-covalent bonding between the cation center and CO₂. We suppose that findings, derived in this theoretical work, may also benefit the design of novel nanosystems for gas storage and delivery. Full article

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

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15 pages, 1869 KiB

Open AccessArticle

Deuterium Isotope Effects on Acid-Base Equilibrium of Organic Compounds

by Meiyi Liu and Jiali Gao

Molecules 2021, 26(24), 7687; https://doi.org/10.3390/molecules26247687 - 20 Dec 2021

Cited by 2 | Viewed by 2847

Abstract

Deuterium isotope effects on acid–base equilibrium have been investigated using a combined path integral and free-energy perturbation simulation method. To understand the origin of the linear free-energy relationship of [...] Read more.

Deuterium isotope effects on acid–base equilibrium have been investigated using a combined path integral and free-energy perturbation simulation method. To understand the origin of the linear free-energy relationship of

Δ p K_{a} = p K_{a}^{D_{2} O} - p K_{a}^{H_{2} O}

versus

p K_{a}^{H_{2} O}

, we examined two theoretical models for computing the deuterium isotope effects. In Model 1, only the intrinsic isotope exchange effect of the acid itself in water was included by replacing the titratable protons with deuterons. Here, the dominant contribution is due to the difference in zero-point energy between the two isotopologues. In Model 2, the medium isotope effects are considered, in which the free energy change as a result of replacing H₂O by D₂O in solute–solvent hydrogen-bonding complexes is determined. Although the average

Δ p K_{a}

change from Model 1 was found to be in reasonable agreement with the experimental average result, the

p K_{a}^{H_{2} O}

dependence of the solvent isotope effects is absent. A linear free-energy relationship is obtained by including the medium effect in Model 2, and the main factor is due to solvent isotope effects in the anion–water complexes. The present study highlights the significant roles of both the intrinsic isotope exchange effect and the medium solvent isotope effect. Full article

(This article belongs to the Section Physical Chemistry)

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Figure 1
Experimental and computed deuterium isotope effects on acidity constants. The computational results determined by using density functional theory and polarizable continuum solvation model with B3LYP-PCM/6-311++G(d,p) are taken from reference [<a href="#B19-molecules-26-07687" class="html-bibr">19</a>]. Full article ">Figure 2
Experimental and computed isotope effects on acidity using Model 1 and path integral-free energy perturbation simulations. Full article ">Figure 3
Experimental and computed isotope effects on acidity using Model 2 and path integral-free energy perturbation simulations. Medium isotope effects on specific acid–base interactions with the solvent are included in Model 2. Full article ">Figure 4
Correlation of the total isotope medium effects (∆GME) on acid and base equilibrium with the difference in hydrogen-bonding energies between the conjugate base and acid, ∆∆Eint = ∆EHB(A−…HOH)—∆EHB(AH…OH2), due to the replacement of a water (H2O) by a heavy water (D2O) molecule. Energies are given in kcal/mol. Full article ">Scheme 1
Thermodynamic cycle depicting acid–base equilibrium in water and in D2O. Full article ">

16 pages, 45983 KiB

Open AccessArticle

Photocatalytic Degradation of Single and Binary Mixture of Brilliant Green and Rhodamine B Dyes by Zinc Sulfide Quantum Dots

by Peter A. Ajibade and Abimbola E. Oluwalana

Molecules 2021, 26(24), 7686; https://doi.org/10.3390/molecules26247686 - 19 Dec 2021

Cited by 13 | Viewed by 3658

Abstract

We present the preparation of octadecylamine-capped ZnS quantum dots from bis(morpholinyldithiocarbamato)Zn(II) complex. The complex was thermolyzed at 130 °C in octadecylamine at different times, to study the effect of reaction time on the morphological and photocatalytic properties of the ZnS quantum dots. Powder [...] Read more.

We present the preparation of octadecylamine-capped ZnS quantum dots from bis(morpholinyldithiocarbamato)Zn(II) complex. The complex was thermolyzed at 130 °C in octadecylamine at different times, to study the effect of reaction time on the morphological and photocatalytic properties of the ZnS quantum dots. Powder X-ray diffraction patterns confirmed a hexagonal wurtzite crystalline phase of ZnS, while HRTEM images showed particle sizes of about 1–3 nm, and energy band gaps of 3.68 eV (ZnS–1), 3.87 eV (ZnS–2), and 4.16 eV (ZnS–3) were obtained from the Tauc plot for the ZnS nanoparticles. The as-prepared ZnS were used as photocatalysts for the degradation of brilliant green, rhodamine B, and binary dye consisting of a mixture of brilliant green-rhodamine B. The highest photocatalytic degradation efficiency of 94% was obtained from ZnS–3 with low photoluminescence intensity. The effect of catalytic dosage and pH of the dyes solution on the photocatalytic process shows that pH 8 is optimal for the degradation of brilliant green, while pH 6.5 is the best for photocatalytic degradation of rhodamine B. The degradation of the binary dyes followed the same trends. The effect of catalytic dosage shows that 1 mg mL⁻¹ of the ZnS nano-photocatalyst is the optimum dosage for the degradation of organic dyes. Reusability studies show that the ZnS quantum dots can be reused five times without a significant reduction in degradation efficiency. Full article

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16 pages, 3649 KiB

Open AccessArticle

Study on the Synthesis of ZnO Nanoparticles Using Azadirachta indica Extracts for the Fabrication of a Gas Sensor

by Tirtha Raj Acharya, Pradeep Lamichhane, Rizwan Wahab, Dinesh Kumar Chaudhary, Bhanu Shrestha, Leela Pradhan Joshi, Nagendra Kumar Kaushik and Eun Ha Choi

Molecules 2021, 26(24), 7685; https://doi.org/10.3390/molecules26247685 - 19 Dec 2021

Cited by 19 | Viewed by 3788

Abstract

This paper compared the effects of A. indica plant proteins over chemical methods in the morphology of zinc oxide nanoparticles (ZnO NPs) prepared by a co-precipitation method, and ethanol sensing performance of prepared thin films deposited over a fluorene-doped tin oxide (FTO) bind [...] Read more.

This paper compared the effects of A. indica plant proteins over chemical methods in the morphology of zinc oxide nanoparticles (ZnO NPs) prepared by a co-precipitation method, and ethanol sensing performance of prepared thin films deposited over a fluorene-doped tin oxide (FTO) bind glass substrate using spray pyrolysis technique. The average crystallite sizes and diameters of the grain-sized cluster ZnO NPs were 25 and (701.79 ± 176.21) nm for an undoped sample and 20 and (489.99 ± 112.96) nm for A. india dye-doped sample. The fourier transform infrared spectroscopy (FTIR) analysis confirmed the formation of the Zn–O bond at 450 cm⁻¹, and also showed the presence of plant proteins due to A. indica dye extracts. ZnO NPs films exhibited good response (up to 51 and 72% for without and with A. indica dye-doped extracts, respectively) toward ethanol vapors with quick response-recovery characteristics at a temperature of 250 °C for undoped and 225 °C for A. indica dye-doped ZnO thin films. The interaction of A. indica dye extracts helps to decrease the operating temperature and increased the response and recovery rates of the sensor, which may be due to an increase in the specific surface area, resulting in adsorption of more oxygen and hence high response results. Full article

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14 pages, 6863 KiB

Open AccessArticle

Nanogold Particles Suppresses 5-Flurouracil-Induced Renal Injury: An Insight into the Modulation of Nrf-2 and Its Downstream Targets, HO-1 and γ-GCS

by Mohamed El-Sherbiny, Eslam K. Fahmy, Nada H. Eisa, Eman Said, Hany A. Elkattawy, Hasnaa Ali Ebrahim, Nehal M. Elsherbiny and Fatma M. Ghoneim

Molecules 2021, 26(24), 7684; https://doi.org/10.3390/molecules26247684 - 19 Dec 2021

Cited by 11 | Viewed by 3256

Abstract

The development of the field of nanotechnology has revolutionized various aspects in the fields of modern sciences. Nano-medicine is one of the primary fields for the application of nanotechnology techniques. The current study sheds light on the reno-protective impacts of gold nano-particles; nanogold [...] Read more.

The development of the field of nanotechnology has revolutionized various aspects in the fields of modern sciences. Nano-medicine is one of the primary fields for the application of nanotechnology techniques. The current study sheds light on the reno-protective impacts of gold nano-particles; nanogold (AuNPs) against 5-flurouracil (5-FU)-induced renal toxicity. Indeed, the use of 5-FU has been associated with kidney injury which greatly curbs its therapeutic application. In the current study, 5-FU injection was associated with a significant escalation in the indices of renal injury, i.e., creatinine and urea. Alongside this, histopathological and ultra-histopathological changes confirmed the onset of renal injury. Both gene and/or protein expression of nuclear factor erythroid 2–related factor 2 (Nrf-2) and downstream antioxidant enzymes revealed consistent paralleled anomalies. AuNPs administration induced a significant renal protection on functional, biochemical, and structural levels. Renal expression of the major sensor of the cellular oxidative status Nrf-2 escalated with a paralleled reduction in the renal expression of the other contributor to this axis, known as Kelch-like ECH-associated protein 1 (Keap-1). On the level of the effector downstream targets, heme oxygenase 1 (HO-1) and gamma-glutamylcysteine synthetase (γ-GCS) AuNPs significantly restored their gene and protein expression. Additionally, combination of AuNPs with 5-FU showed better cytotoxic effect on MCF-7 cells compared to monotreatments. Thus, it can be inferred that AuNPs conferred reno-protective impact against 5-FU with an evident modulatory impact on Nrf-2/Keap-1 and its downstream effectors, HO-1 and γ-GCS, suggesting its potential use in 5-FU regimens to improve its therapeutic outcomes and minimize its underlying nephrotoxicity. Full article

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13 pages, 1620 KiB

Open AccessArticle

Puree and Juice of Thai Mango and Pineapple Analyzed by High-Performance Thin-Layer Chromatography Hyphenated with Effect-Directed Assays

by Gertrud E. Morlock, Newitchaya Wutthinithisanand and Doris Rauhut

Molecules 2021, 26(24), 7683; https://doi.org/10.3390/molecules26247683 - 19 Dec 2021

Cited by 4 | Viewed by 2991

Abstract

The requirements for analytical tools are changing due to the global production chain, the increasing cases of adulteration, and the growing trend towards consumption of plant-based food products worldwide. The assessment of bioactivity of natural foods is currently not a quality criterion, and [...] Read more.

The requirements for analytical tools are changing due to the global production chain, the increasing cases of adulteration, and the growing trend towards consumption of plant-based food products worldwide. The assessment of bioactivity of natural foods is currently not a quality criterion, and a paradigm shift is postulated. A non-targeted effect-directed profiling by high-performance thin-layer chromatography hyphenated with five different effect-directed assays was developed exemplarily for the puree and juice products of mango Mangifera indica L. (Anacardiaceae) and pineapple Ananas comosus (L.) Merr. (Bromeliaceae). Several bioactive compounds were detected in each sample. The additional bioactivity information obtained through effect-directed profiles improves, expands and modernizes product control. Non-target effect-directed profiling adds a new perspective to previous target analysis results that can be used not only to ensure health claims based on bioactive compounds, but also to detect unknown bioactive compounds coming from contamination or residues or changes caused by food processing. Full article

(This article belongs to the Special Issue Food Bioactive Compounds: Chemical Challenges and Opportunities)

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Figure 1
Saccharide analysis: HPTLC-Vis chromatogram of fructose (Fru), glucose (Glc) and sucrose (Suc) present in fruit product extracts (IDs 1–8, <a href="#molecules-26-07683-t002" class="html-table">Table 2</a>, 0.4 g/mL in methanol, 0.5 µL/area) on HPTLC plates silica gel 60 F254 with acetonitrile–water 4:1, V/V, plus 8 mg diphenylboric acid-2-aminoethylester (<a href="#app1-molecules-26-07683" class="html-app">Table S1 from Supplementary Materials</a>, mobile phase 6) derivatized with diphenylamine aniline o-phosphoric acid reagent and documented at white light illumination. Full article ">Figure 2
Investigation of different solvent selectivities for extraction: HPTLC chromatogram at FLD 366 nm after derivatization with anisaldehyde sulfuric acid reagent (A), at FLD 366 nm before the bioassay (B) and bioautogram after Aliivibrio fischeri bioassay, depicting bioluminescence after 30 min as grey scale image (C) of methanol (MeOH), mixture of methanol/acetone 1:1 (Mix), acetone, ethanol (EtOH), ethyl acetate (EtOAc) and acetonitrile (ACN) extracts of puree sample IDs 1 and 3 (<a href="#molecules-26-07683-t002" class="html-table">Table 2</a>, 0.4 g/mL) applied as area (6.0 × 3.0 mm, 10 µL/area), developed on HPTLC plates silica gel 60 F254 with toluene–ethyl acetate–methanol–formic acid 2.4:1.8:0.7:0.06, v/v/v/v, in twin-trough chamber 20 × 10 cm (* yellow acetone-soluble conta mination from plastic flask material). Full article ">Figure 3
Physico-chemical profiling: HPTLC chromatograms at white light illumination (Vis, A), UV 254 nm (B), FLD 366 nm (C) and after derivatization with anisaldehyde sulfuric acid reagent (D FLD 366 nm and E Vis) of the puree and juice extracts (IDs 1–8, <a href="#molecules-26-07683-t002" class="html-table">Table 2</a>, 0.2 g/mL in ethyl acetate, 100 µL/area of 8.0 × 6.0 mm) developed on HPTLC plates silica gel 60 F254 with toluene–ethyl acetate–methanol–formic acid 2.4:1.8:0.7:0.06, v/v/v/v, in twin-trough chamber 10 cm × 10 cm. Full article ">Figure 4
Effect-directed profiling: HPTLC autograms after DPPH• assay (A), Aliivibrio fischeri bioassay, instantly and after 30 min (B), Bacillus subtilis bioassay (C), AChE (D, here zones shifted upwards by 2 mm) and tyrosinase inhibition assays I detected at white light illumination (except for B: bioluminescence depicted as grey scale image) of puree and juice extracts (IDs 1–8, <a href="#molecules-26-07683-t002" class="html-table">Table 2</a>, 0.2 g/mL in ethyl acetate, 100 µL/area of 8.0 × 6.0 mm) developed on HPTLC plates silica gel 60 F254 with toluene–ethyl acetate–methanol–formic acid 2.4:1.8:0.7:0.06, v/v/v/v, in twin-trough chamber 10 cm × 10 cm (chromatograms at UV 254 nm and FLD 366 nm before the respective assay detection in <a href="#app1-molecules-26-07683" class="html-app">Table S2 from Supplementary Materials</a>). Full article ">

14 pages, 2926 KiB

Open AccessArticle

Chemical and Mechanical Characterization of Licorice Root and Palm Leaf Waste Incorporated into Poly(urethane-acrylate) (PUA)

by Serena Gabrielli, Genny Pastore, Francesca Stella, Enrico Marcantoni, Fabrizio Sarasini, Jacopo Tirillò and Carlo Santulli

Molecules 2021, 26(24), 7682; https://doi.org/10.3390/molecules26247682 - 19 Dec 2021

Cited by 8 | Viewed by 3376

Abstract

A poly(urethane-acrylate) polymer (PUA) was synthesized, and a sufficiently high molecular weight starting from urethane-acrylate oligomer (UAO) was obtained. PUA was then loaded with two types of powdered ligno-cellulosic waste, namely from licorice root and palm leaf, in amounts of 1, 5 and [...] Read more.

A poly(urethane-acrylate) polymer (PUA) was synthesized, and a sufficiently high molecular weight starting from urethane-acrylate oligomer (UAO) was obtained. PUA was then loaded with two types of powdered ligno-cellulosic waste, namely from licorice root and palm leaf, in amounts of 1, 5 and 10%, and the obtained composites were chemically and mechanically characterized. FTIR analysis of final PUA synthesized used for the composite production confirmed the new bonds formed during the polymerization process. The degradation temperatures of the two types of waste used were in line with what observed in most common natural fibers with an onset at 270 °C for licorice waste, and at 290 °C for palm leaf one. The former was more abundant in cellulose (44% vs. 12% lignin), whilst the latter was richer in lignin (30% vs. 26% cellulose). In the composites, only a limited reduction of degradation temperature was observed for palm leaf waste addition and some dispersion issues are observed for licorice root, leading to fluctuating results. Tensile performance of the composites indicates some reduction with respect to the pure polymer in terms of tensile strength, though stabilizing between data with 5 and 10% filler. In contrast, Shore A hardness of both composites slightly increases with higher filler content, while in stiffness-driven applications licorice-based composites showed potential due to an increase up to 50% compared to neat PUA. In general terms, the fracture surfaces tend to become rougher with filler introduction, which indicates the need for optimizing interfacial adhesion. Full article

(This article belongs to the Special Issue Lignin: From Nature to Advanced Materials)

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14 pages, 2878 KiB

Open AccessArticle

Metabolomics Study of Flavonoids of Taxilluschinensis on Different Hosts Using UPLC-ESI-MS/MS

by Li Li, Jianbei Teng, Yilin Zhu, Fengfeng Xie, Jing Hou, Yuan Ling and Hua Zhu

Molecules 2021, 26(24), 7681; https://doi.org/10.3390/molecules26247681 - 19 Dec 2021

Cited by 8 | Viewed by 2699

Abstract

The goal of this study was to identify and compare the main biomarkers of Taxillus chinensis from different hosts. A metabolomics approach utilizing ultra-pressure liquid chromatography coupled with tandem mass spectrometry (UPLC-MS), including cluster analysis, sample correlation analysis and orthogonal partial least squares [...] Read more.

The goal of this study was to identify and compare the main biomarkers of Taxillus chinensis from different hosts. A metabolomics approach utilizing ultra-pressure liquid chromatography coupled with tandem mass spectrometry (UPLC-MS), including cluster analysis, sample correlation analysis and orthogonal partial least squares discriminant analysis, was used to explore the flavonoid metabolites of Taxillus chinensis growing on different hosts. Results: The total flavonoids content (up to 30.08 mg/g) in Taxillus chinensis from Morus alba (CSG) was significantly higher than that from growth on Liquidambar formosana (CFG) or Clausena lansium (CHG) (p < 0.01). There were 23 different metabolites between CSG and CHG, 23 different metabolites between CSG and CFG, and 19 different metabolites between CHG and CFG. The results demonstrated that different hosts exerted a large influence on the metabolites of Taxillus chinensis; it was found that CSG differed from CFG and CHG in eleven metabolic compounds, ten of which were upregulated and one of which was downregulated. Most of these metabolites derive from compounds contained in the host plant, white mulberry (Morus alba); many feature potent anti-cancer effects. Differences in host can influence the type and abundance of flavonoids in parasitic plants such as Taxillus chinensis, which is of great significance to researchers seeking to understand the formation mechanism of Taxillus chinensis metabolites. Therefore, attention should be paid to the species of host plant when studying the Taxillus chinensis metabolome. Plants grown on Morus alba offer the greatest potential for the development of new anti-cancer drugs. Full article

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9 pages, 2806 KiB

Open AccessArticle

Acridine Based Small Molecular Hole Transport Type Materials for Phosphorescent OLED Application

by Ramanaskanda Braveenth, Keunhwa Kim, Il-Ji Bae, Kanthasamy Raagulan, Bo Mi Kim, Miyoung Kim and Kyu Yun Chai

Molecules 2021, 26(24), 7680; https://doi.org/10.3390/molecules26247680 - 19 Dec 2021

Cited by 3 | Viewed by 2735

Abstract

Two small molecular hole-transporting type materials, namely 4-(9,9-dimethylacridin-10(9H)-yl)-N-(4-(9,9-dimethylacridin-10(9H)-yl)phenyl)-N-phenylaniline (TPA-2ACR) and 10,10′-(9-phenyl-9H-carbazole-3,6-diyl)bis(9,9-dimethyl-9,10-dihydroacridine) (PhCAR-2ACR), were designed and synthesized using a single-step Buchwald–Hartwig amination between the dimethyl acridine and triphenylamine or carbazole moieties. Both materials showed [...] Read more.

Two small molecular hole-transporting type materials, namely 4-(9,9-dimethylacridin-10(9H)-yl)-N-(4-(9,9-dimethylacridin-10(9H)-yl)phenyl)-N-phenylaniline (TPA-2ACR) and 10,10′-(9-phenyl-9H-carbazole-3,6-diyl)bis(9,9-dimethyl-9,10-dihydroacridine) (PhCAR-2ACR), were designed and synthesized using a single-step Buchwald–Hartwig amination between the dimethyl acridine and triphenylamine or carbazole moieties. Both materials showed high thermal decomposition temperatures of 402 and 422 °C at 5% weight reduction for PhCAR-2ACR and TPA-2ACR, respectively. TPA-2ACR as hole-transporting material exhibited excellent current, power, and external quantum efficiencies of 55.74 cd/A, 29.28 lm/W and 21.59%, respectively. The achieved device efficiencies are much better than that of the referenced similar, 1,1-Bis[(di-4-tolylamino)phenyl]cyclohexane (TAPC)-based device (32.53 cd/A, 18.58 lm/W and 10.6%). Moreover, phenyl carbazole-based PhCAR-2ACR showed good device characteristics when applied for host material in phosphorescent OLEDs. Full article

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