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Molecules, Volume 25, Issue 16 (August-2 2020) – 206 articles

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Cover Story (view full-size image) Corydalis solida Clairv. and Pseudofumaria lutea Borkh. (synonym Corydalis lutea DC.) from the [...] Read more.
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Open AccessArticle
Effect of Kerogen Thermal Maturity on Methane Adsorption Capacity: A Molecular Modeling Approach
Molecules 2020, 25(16), 3764; https://doi.org/10.3390/molecules25163764 - 18 Aug 2020
Viewed by 376
Abstract
The presence of kerogen in source rocks gives rise to a plethora of potential gas storage mechanisms. Proper estimation of the gas reserve requires knowledge of the quantities of free and adsorbed gas in rock pores and kerogen. Traditional methods of reserve estimation [...] Read more.
The presence of kerogen in source rocks gives rise to a plethora of potential gas storage mechanisms. Proper estimation of the gas reserve requires knowledge of the quantities of free and adsorbed gas in rock pores and kerogen. Traditional methods of reserve estimation such as the volumetric and material balance approaches are insufficient because they do not consider both the free and adsorbed gas compartments present in kerogens. Modified versions of these equations are based on adding terms to account for hydrocarbons stored in kerogen. None of the existing models considered the effect of kerogen maturing on methane gas adsorption. In this work, a molecular modeling was employed to explore how thermal maturity impacts gas adsorption in kerogen. Four different macromolecules of kerogen were included to mimic kerogens of different maturity levels; these were folded to more closely resemble the nanoporous kerogen structures of source rocks. These structures form the basis of the modeling necessary to assess the adsorption capacity as a function of the structure. The number of double bonds plus the number and type of heteroatoms (O, S, and N) were found to influence the final configuration of the kerogen structures, and hence their capacity to host methane molecules. The degree of aromaticity increased with the maturity level within the same kerogen type. The fraction of aromaticity gives rise to the polarity. We present an empirical mathematical relationship that makes possible the estimation of the adsorption capacity of kerogen based on the degree of polarity. Variations in kerogen adsorption capacity have significant implications on the reservoir scale. The general trend obtained from the molecular modeling was found to be consistent with experimental measurements done on actual kerogen samples. Shale samples with different kerogen content and with different maturity showed that shales with immature kerogen have small methane adsorption capacity compared to shales with mature kerogen. In this study, it is shown for the first time that the key factor to control natural gas adsorption is the kerogen maturity not the kerogen content. Full article
(This article belongs to the Section Physical Chemistry)
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Open AccessFeature PaperReview
Polyphenols and Other Bioactive Compounds of Sideritis Plants and Their Potential Biological Activity
Molecules 2020, 25(16), 3763; https://doi.org/10.3390/molecules25163763 - 18 Aug 2020
Viewed by 493
Abstract
Due to the growing problem of obesity associated with type 2 diabetes and cardiovascular diseases, causes of obesity are extensively investigated. In addition to a high caloric diet and low physical activity, gut microbiota disturbance may have a potential impact on excessive weight [...] Read more.
Due to the growing problem of obesity associated with type 2 diabetes and cardiovascular diseases, causes of obesity are extensively investigated. In addition to a high caloric diet and low physical activity, gut microbiota disturbance may have a potential impact on excessive weight gain. Some reports indicate differences in the composition of the intestinal microflora of obese people in comparison to lean. Bioactive compounds of natural origin with beneficial and multifaceted effects on the body are more frequently used in prevention and treatment of many metabolic diseases including obesity. Sideritis scardica is traditionally consumed as mountain tea in the Balkans to strengthen the body and improve mood. Many reports indicate a positive effect on digestive system, weight loss, and prevention of insulin resistance. Additionally, it exhibits antioxidant activity and anti-inflammatory effects. The positive effect of Sideritis scardica extracts on memory and general cognitive abilities is indicated as well. The multilevel positive effect on the body appears to originate from the abundant occurrence of phenolic compounds, especially phenolic acids in Sideritis scardica extracts. However, mechanisms underlying their action require careful discussion and further research. Therefore, the objective of this review is to summarize the available knowledge on the role and mechanism of action of biologically active compounds of Sideritis scardica and other related species from the genus Sideritis. Full article
(This article belongs to the Special Issue Plant Polyphenols and Gut Health)
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Open AccessArticle
Effect of Heavy Ion 12C6+ Radiation on Lipid Constitution in the Rat Brain
Molecules 2020, 25(16), 3762; https://doi.org/10.3390/molecules25163762 - 18 Aug 2020
Viewed by 329
Abstract
Heavy ions refer to charged particles with a mass greater than four (i.e., alpha particles). The heavy ion irradiation used in radiotherapy or that astronauts suffer in space flight missions induces toxicity in normal tissue and leads to short-term and long-term damage in [...] Read more.
Heavy ions refer to charged particles with a mass greater than four (i.e., alpha particles). The heavy ion irradiation used in radiotherapy or that astronauts suffer in space flight missions induces toxicity in normal tissue and leads to short-term and long-term damage in both the structure and function of the brain. However, the underlying molecular alterations caused by heavy ion radiation have yet to be completely elucidated. Herein, untargeted and targeted lipidomic profiling of the whole brain tissue and blood plasma 7 days after the administration of the 15 Gy (260 MeV, low linear energy (LET) = 13.9 KeV/μm) plateau irradiation of disposable 12C6+ heavy ions on the whole heads of rats was explored to study the lipid damage induced by heavy ion radiation in the rat brain using ultra performance liquid chromatography-mass spectrometry (UPLC–MS) technology. Combined with multivariate variables and univariate data analysis methods, our results indicated that an orthogonal partial least squares discriminant analysis (OPLS–DA) could clearly distinguish lipid metabolites between the irradiated and control groups. Through the combination of variable weight value (VIP), variation multiple (FC), and differential (p) analyses, the significant differential lipids diacylglycerols (DAGs) were screened out. Further quantitative targeted lipidomic analyses of these DAGs in the rat brain tissue and plasma supported the notion that DAG 47:1 could be used as a potential biomarker to study brain injury induced by heavy ion irradiation. Full article
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Open AccessArticle
Coupling Ultrafiltration-Based Processes to Concentrate Phenolic Compounds from Aqueous Goji Berry Extracts
Molecules 2020, 25(16), 3761; https://doi.org/10.3390/molecules25163761 - 18 Aug 2020
Viewed by 361
Abstract
In this work, a membrane-based process for the purification and concentration of antioxidant compounds from aqueous Goji (Lycium barbarum L.) berry extracts was investigated. The aqueous extract was previously clarified with hollow fiber ultrafiltration (UF) membranes in order to remove suspended solids [...] Read more.
In this work, a membrane-based process for the purification and concentration of antioxidant compounds from aqueous Goji (Lycium barbarum L.) berry extracts was investigated. The aqueous extract was previously clarified with hollow fiber ultrafiltration (UF) membranes in order to remove suspended solids and β-carotene and to produce a clarified extract enriched in phenolic compounds. Then, three UF flat sheet polyamide membranes with a molecular weight cut-off (MWCO) in the range 1000–3500 Da were tested to purify and concentrate phenolic compounds from the clarified extract. The effect of MWCO and transmembrane pressure (TMP) on the performance of selected membranes in terms of productivity and selectivity towards total dissolved solids (TDS), total phenolic compounds (TPC), total carbohydrates (TC) and total antioxidant activity (TAA) was evaluated. Experimental results indicated that the 2500 Da membrane exhibited a lower fouling index, higher cleaning efficiency, lower rejection towards carbohydrates (lower than 30%) and higher rejection towards phenolic compounds (higher than 50%) in comparison to the other investigated membranes. The inclusion of a diafiltration process in the treatment of the clarified extract with this membrane in a spiral-wound configuration improved the concentration of sugar compounds in the permeate stream and increased the purification of phenolic compounds in the retentate fraction. Full article
(This article belongs to the Special Issue Bioactive Phenolic and Polyphenolic Compounds)
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Open AccessFeature PaperReview
Recent Advances in Polymeric Nanoparticle-Encapsulated Drugs against Intracellular Infections
Molecules 2020, 25(16), 3760; https://doi.org/10.3390/molecules25163760 - 18 Aug 2020
Viewed by 350
Abstract
Polymeric nanocarriers (PNs) have demonstrated to be a promising alternative to treat intracellular infections. They have outstanding performance in delivering antimicrobials intracellularly to reach an adequate dose level and improve their therapeutic efficacy. PNs offer opportunities for preventing unwanted drug interactions and degradation [...] Read more.
Polymeric nanocarriers (PNs) have demonstrated to be a promising alternative to treat intracellular infections. They have outstanding performance in delivering antimicrobials intracellularly to reach an adequate dose level and improve their therapeutic efficacy. PNs offer opportunities for preventing unwanted drug interactions and degradation before reaching the target cell of tissue and thus decreasing the development of resistance in microorganisms. The use of PNs has the potential to reduce the dose and adverse side effects, providing better efficiency and effectiveness of therapeutic regimens, especially in drugs having high toxicity, low solubility in the physiological environment and low bioavailability. This review provides an overview of nanoparticles made of different polymeric precursors and the main methodologies to nanofabricate platforms of tuned physicochemical and morphological properties and surface chemistry for controlled release of antimicrobials in the target. It highlights the versatility of these nanosystems and their challenges and opportunities to deliver antimicrobial drugs to treat intracellular infections and mentions nanotoxicology aspects and future outlooks. Full article
(This article belongs to the Special Issue Nanochemistry: Good Beginnings for a Cross-Disciplinary Platform)
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Open AccessArticle
Serum Metabolic Profiling Reveals Potential Anti-Inflammatory Effects of the Intake of Black Ginseng Extracts in Beagle Dogs
Molecules 2020, 25(16), 3759; https://doi.org/10.3390/molecules25163759 - 18 Aug 2020
Viewed by 342
Abstract
Black ginseng (BG) has better health benefits than white ginseng. The intake of BG changes the levels of metabolites, such as amino acids, fatty acids, and other metabolites. However, there is no research on the effect of BG extract intake on the metabolic [...] Read more.
Black ginseng (BG) has better health benefits than white ginseng. The intake of BG changes the levels of metabolites, such as amino acids, fatty acids, and other metabolites. However, there is no research on the effect of BG extract intake on the metabolic profile of dog serum. In this study, serum metabolic profiling was conducted to investigate metabolic differences following the intake of BG extracts in beagle dogs. The beagle dogs were separated into three groups and fed either a regular diet (RD, control), RD with a medium concentration of BG extract (BG-M), or RD with a high concentration of BG extract (BG-H). Differences were observed among the three groups after the dogs ingested the experimental diet for eight weeks. The concentrations of alanine, leucine, isoleucine, and valine changed with the intake of BG extracts. Furthermore, levels of glycine and β-alanine increased in the BG-H group compared to the control and BG-M groups, indicating that BG extracts are associated with anti-inflammatory processes. Our study is the first to demonstrate the potential anti-inflammatory effect of BG extract in beagle dogs. Glycine and β-alanine are proposed as candidate serum biomarkers in dogs that can discriminate between the effects of ingesting BG-H. Full article
(This article belongs to the Special Issue Current Trends in Ginseng Research)
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Open AccessArticle
Chemical Characterisation and Antihypertensive Effects of Locular Gel and Serum of Lycopersicum esculentum L. var. “Camone” Tomato in Spontaneously Hypertensive Rats
Molecules 2020, 25(16), 3758; https://doi.org/10.3390/molecules25163758 - 18 Aug 2020
Viewed by 314
Abstract
Blood pressure control in hypertensive subjects calls for changes in lifestyle, especially diet. Tomato is widely consumed and rich in healthy components (i.e., carotenoids, vitamins and polyphenols). The aim of this study was to evaluate the chemical composition and antihypertensive effects of locular [...] Read more.
Blood pressure control in hypertensive subjects calls for changes in lifestyle, especially diet. Tomato is widely consumed and rich in healthy components (i.e., carotenoids, vitamins and polyphenols). The aim of this study was to evaluate the chemical composition and antihypertensive effects of locular gel reconstituted in serum of green tomatoes of “Camone” variety. Tomato serum and locular gel were chemically characterised. The antihypertensive effects of the locular gel in serum, pure tomatine, and captopril, administered by oral gavage, were investigated for 4 weeks in male spontaneously hypertensive and normotensive rats. Systolic blood pressure and heart rate were monitored using the tail cuff method. Body and heart weight, serum glucose, triglycerides and inflammatory cytokines, aorta thickness and liver metabolising activity were also assessed. Locular gel and serum showed good tomatine and polyphenols content. Significant reductions in blood pressure and heart rate, as well as in inflammatory blood cytokines and aorta thickness, were observed in spontaneously hypertensive rats treated both with locular gel in serum and captopril. No significant effects were observed in normotensive rats. Green tomatoes locular gel and serum, usually discarded during tomato industrial processing, are rich in bioactive compounds (i.e., chlorogenic acid, caffeic acid and rutin, as well as the glycoalkaloids, α-tomatine and dehydrotomatine) that can lower in vivo blood pressure towards healthier values, as observed in spontaneously hypertensive rats. Full article
(This article belongs to the Special Issue Natural Products: Therapeutic Properties and Beyond)
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Open AccessFeature PaperReview
Hydrogen-Mediated Noncovalent Interactions in Solids: What Can NMR Crystallography Tell About?
Molecules 2020, 25(16), 3757; https://doi.org/10.3390/molecules25163757 - 18 Aug 2020
Viewed by 320
Abstract
Hydrogen atoms play a crucial role in the aggregation of organic (bio)molecules through diverse number of noncovalent interactions that they mediate, such as electrostatic in proton transfer systems, hydrogen bonding, and CH–π interactions, to mention only the most prominent. To identify and adequately [...] Read more.
Hydrogen atoms play a crucial role in the aggregation of organic (bio)molecules through diverse number of noncovalent interactions that they mediate, such as electrostatic in proton transfer systems, hydrogen bonding, and CH–π interactions, to mention only the most prominent. To identify and adequately describe such low-energy interactions, increasingly sensitive methods have been developed over time, among which quantum chemical computations have witnessed impressive advances in recent years. For reaching the present state-of-the-art, computations had to rely on a pool of relevant experimental data, needed at least for validation, if not also for other purposes. In the case of molecular crystals, the best illustration for the synergy between computations and experiment is given by the so-called NMR crystallography approach. Originally designed to increase the confidence level in crystal structure determination of organic compounds from powders, NMR crystallography is able now to offer also a wealth of information regarding the noncovalent interactions that drive molecules to pack in a given crystalline pattern or another. This is particularly true for the noncovalent interactions which depend on the exact location of labile hydrogen atoms in the system: in such cases, NMR crystallography represents a valuable characterization tool, in some cases complementing even the standard single-crystal X-ray diffraction technique. A concise introduction in the field is made in this mini-review, which is aimed at providing a comprehensive picture with respect to the current accuracy level reached by NMR crystallography in the characterization of hydrogen-mediated noncovalent interactions in organic solids. Different types of practical applications are illustrated with the example of molecular crystals studied by our research group, but references to other representative developments reported in the literature are also made. By summarizing the major concepts and methodological progresses, the present work is also intended to be a guide to the practical potential of this relatively recent analytical tool for the scientists working in areas where crystal engineering represents the main approach for rational design of novel materials. Full article
(This article belongs to the Special Issue Non-Covalent Interaction in Solids and Large Clusters)
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Open AccessArticle
Radiochemical Synthesis and Evaluation of Novel Radioconjugates of Neurokinin 1 Receptor Antagonist Aprepitant Dedicated for NK1R-Positive Tumors
Molecules 2020, 25(16), 3756; https://doi.org/10.3390/molecules25163756 - 18 Aug 2020
Viewed by 315
Abstract
Aprepitant, a lipophilic and small molecular representative of neurokinin 1 receptor antagonists, is known for its anti-proliferative activity on numerous cancer cell lines that are sensitive to Substance P mitogen action. In the presented research, we developed two novel structural modifications of aprepitant [...] Read more.
Aprepitant, a lipophilic and small molecular representative of neurokinin 1 receptor antagonists, is known for its anti-proliferative activity on numerous cancer cell lines that are sensitive to Substance P mitogen action. In the presented research, we developed two novel structural modifications of aprepitant to create aprepitant conjugates with different radionuclide chelators. All of them were radiolabeled with 68Ga and 177Lu radionuclides and evaluated in terms of their lipophilicity and stability in human serum. Furthermore, fully stable conjugates were examined in molecular modelling with a human neurokinin 1 receptor structure and in a competitive radioligand binding assay using rat brain homogenates in comparison to the aprepitant molecule. This initial research is in the conceptual stage to give potential theranostic-like radiopharmaceutical pairs for the imaging and therapy of neurokinin 1 receptor-overexpressing cancers. Full article
(This article belongs to the Special Issue Radiolabeled Compounds for Diagnosis and Treatment of Cancer)
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Open AccessArticle
Cytotoxic and Anti-Plasmodial Activities of Stephania dielsiana Y.C. Wu Extracts and the Isolated Compounds
Molecules 2020, 25(16), 3755; https://doi.org/10.3390/molecules25163755 - 18 Aug 2020
Viewed by 351
Abstract
Natural products remain a viable source of novel therapeutics, and as detection and extraction techniques improve, we can identify more molecules from a broader set of plant tissues. The aim of this study was an investigation of the cytotoxic and anti-plasmodial activities of [...] Read more.
Natural products remain a viable source of novel therapeutics, and as detection and extraction techniques improve, we can identify more molecules from a broader set of plant tissues. The aim of this study was an investigation of the cytotoxic and anti-plasmodial activities of the methanol extract from Stephania dielsiana Y.C. Wu leaves and its isolated compounds. Our study led to the isolation of seven alkaloids, among which oxostephanine (1) is the most active against several cancer cell lines including HeLa, MDA-MB231, MDA-MB-468, MCF-7, and non-cancer cell lines, such as 184B5 and MCF10A, with IC50 values ranging from 1.66 to 4.35 μM. Morever, oxostephanine (1) is on average two-fold more active against cancer cells than stephanine (3), having a similar chemical structure. Cells treated with oxostephanine (1) are arrested at G2/M cell cycle, followed by the formation of aneuploidy and apoptotic cell death. The G2/M arrest appears to be due, at least in part, to the inactivation of Aurora kinases, which is implicated in the onset and progression of many forms of human cancer. An in-silico molecular modeling study suggests that oxostephanine (1) binds to the ATP binding pocket of Aurora kinases to inactivate their activities. Unlike oxostephanine (1), thailandine (2) is highly effective against only the triple-negative MDA-MB-468 breast cancer cells. However, it showed excellent selectivity against the cancer cell line when compared to its effects on non-cancer cells. Furthermore, thailandine (2) showed excellent anti-plasmodial activity against both chloroquine-susceptible 3D7 and chloroquine-resistant W2 Plasmodium falciparum strains. The structure–activity relationship of isolated compound was also discussed in this study. The results of this study support the traditional use of Stephania dielsiana Y.C. Wu and the lead molecules identified can be further optimized for the development of highly effective and safe anti-cancer and anti-plasmodial drugs. Full article
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Open AccessFeature PaperReview
IDH1 Targeting as a New Potential Option for Intrahepatic Cholangiocarcinoma Treatment—Current State and Future Perspectives
Molecules 2020, 25(16), 3754; https://doi.org/10.3390/molecules25163754 - 18 Aug 2020
Viewed by 342
Abstract
Cholangiocarcinoma is a primary malignancy of the biliary tract characterized by late and unspecific symptoms, unfavorable prognosis, and few treatment options. The advent of next-generation sequencing has revealed potential targetable or actionable molecular alterations in biliary tumors. Among several identified genetic alterations, the [...] Read more.
Cholangiocarcinoma is a primary malignancy of the biliary tract characterized by late and unspecific symptoms, unfavorable prognosis, and few treatment options. The advent of next-generation sequencing has revealed potential targetable or actionable molecular alterations in biliary tumors. Among several identified genetic alterations, the IDH1 mutation is arousing interest due to its role in epigenetic and metabolic remodeling. Indeed, some IDH1 point mutations induce widespread epigenetic alterations by means of a gain-of-function of the enzyme, which becomes able to produce the oncometabolite 2-hydroxyglutarate, with inhibitory activity on α-ketoglutarate-dependent enzymes, such as DNA and histone demethylases. Thus, its accumulation produces changes in the expression of several key genes involved in cell differentiation and survival. At present, small-molecule inhibitors of IDH1 mutated enzyme are under investigation in preclinical and clinical phases as promising innovative treatments for IDH1-mutated intrahepatic cholangiocarcinomas. This review examines the molecular rationale and the results of preclinical and early-phase studies on novel pharmacological agents targeting mutant IDH1 in cholangiocarcinoma patients. Contextually, it will offer a starting point for discussion on combined therapies with metabolic and epigenetic drugs, to provide molecular support to target the interplay between metabolism and epigenetics, two hallmarks of cancer onset and progression. Full article
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Open AccessArticle
Inequality in the Frequency of the Open States Occurrence Depends on Single 2H/1H Replacement in DNA
Molecules 2020, 25(16), 3753; https://doi.org/10.3390/molecules25163753 - 18 Aug 2020
Cited by 1 | Viewed by 410
Abstract
In the present study, the effect of 2H/1H isotopic exchange in hydrogen bonds between nitrogenous base pairs on occurrence and open states zones dynamics is investigated. These processes are studied using mathematical modeling, taking into account the number of open [...] Read more.
In the present study, the effect of 2H/1H isotopic exchange in hydrogen bonds between nitrogenous base pairs on occurrence and open states zones dynamics is investigated. These processes are studied using mathematical modeling, taking into account the number of open states between base pairs. The calculations of the probability of occurrence of open states in different parts of the gene were done depending on the localization of the deuterium atom. The mathematical modeling study demonstrated significant inequality (dependent on single 2H/1H replacement in DNA) among three parts of the gene similar in length of the frequency of occurrence of the open states. In this paper, the new convenient approach of the analysis of the abnormal frequency of open states in different parts of the gene encoding interferon alpha 17 was presented, which took into account both rising and decreasing of them that allowed to make a prediction of the functional instability of the specific DNA regions. One advantage of the new algorithm is diminishing the number of both false positive and false negative results in data filtered by this approach compared to the pure fractile methods, such as deciles or quartiles. Full article
(This article belongs to the Special Issue Medicinal Biochemistry of Deuterium Discrimination)
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Open AccessArticle
Application of Pineapple Leaves as Adsorbents for Removal of Rose Bengal from Wastewater: Process Optimization Operating Face-Centered Central Composite Design (FCCCD)
Molecules 2020, 25(16), 3752; https://doi.org/10.3390/molecules25163752 - 18 Aug 2020
Viewed by 302
Abstract
Adsorptive removal of rose bengal (RB) from contaminated water samples was approached using pineapple leaves (PAL). Three adsorbents were utilized for that purpose; raw pineapple leaves (RPAL) and the thermally activated bio-waste leaves at 250 and 500 °C. Two measures were executed to [...] Read more.
Adsorptive removal of rose bengal (RB) from contaminated water samples was approached using pineapple leaves (PAL). Three adsorbents were utilized for that purpose; raw pineapple leaves (RPAL) and the thermally activated bio-waste leaves at 250 and 500 °C. Two measures were executed to evaluate the functionality of exploited biomasses; percentage removal (%R) and adsorption capacity (qe). Face-centered central composite design (FCCCD) was conducted to experiment the influence of variables on the %R. Dose of PAL as adsorbent (AD), concentration of RB (DC), pH and contact time (CT), were the inspected factors. Existence of functional groups and formation of activated carbon was instigated employing Fourier-transform infrared (FT-IR) and Raman spectroscopies. Scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDX) analyses were used to explore surface features. Thermal behavior of adsorbents was studied using thermogravimetric analysis (TGA). The surface area and other surface structural properties were established using the Brunauer Emmett-Teller (BET) analysis. An amount of 92.53% of RB could be removed with an adsorption capacity of 58.8 mg/g using a combination of pH 5.00 ± 0.20, RPAL dose of 0.05 mg/50 mL, and 10-ppm RB for 180 min. Equilibrium studies divulge a favorable adsorption that follows the Freundlich isotherm. Pseudo-second-order model explains the observed adsorption kinetics. Full article
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Open AccessArticle
Cellulose Acetate Fabrics Loaded with Rhodamine B Hydrazide for Optical Detection of Cu(II)
Molecules 2020, 25(16), 3751; https://doi.org/10.3390/molecules25163751 - 17 Aug 2020
Viewed by 382
Abstract
In this work, different materials were fabricated from cellulose acetate, loaded with rhodamine B hydrazide and tested as Cu(II) optical sensor. We prepared membranes displaying a sub-micron porous structure using the phase inversion technique, clusters of fibers with varying diameter depending on the [...] Read more.
In this work, different materials were fabricated from cellulose acetate, loaded with rhodamine B hydrazide and tested as Cu(II) optical sensor. We prepared membranes displaying a sub-micron porous structure using the phase inversion technique, clusters of fibers with varying diameter depending on the preparation procedure using electrospinning, and casted films presenting a smooth non porous structure. Loading of rhodamine B hydrazide on the fabrics after their production was found to be the best procedure to ensure the stability of the dye in the polymeric materials. Absorption and emission analysis of the solid substrates revealed the presence of the dye on the porous fabrics and allowed to choose the most suited materials and loading conditions to test their response towards Cu(II) ions. Reaction of the loaded rhodamine B hydrazide with Cu(II) was confirmed by absorption and emission spectroscopies and by confocal fluorescence imaging, through detection of the product rhodamine B. The results point to promising sensing applications of the prepared composite materials. Full article
(This article belongs to the Special Issue Polymeric Photonic Materials)
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Open AccessArticle
Chemical Fingerprinting and Biological Evaluation of the Endemic Chilean Fruit Greigia sphacelata (Ruiz and Pav.) Regel (Bromeliaceae) by UHPLC-PDA-Orbitrap-Mass Spectrometry
Molecules 2020, 25(16), 3750; https://doi.org/10.3390/molecules25163750 - 17 Aug 2020
Viewed by 461
Abstract
Greigia sphacelata (Ruiz and Pav.) Regel (Bromeliaceae) is a Chilean endemic plant popularly known as “quiscal” and produces an edible fruit consumed by the local Mapuche communities named as “chupón”. In this study, several metabolites including phenolic acids, organic acids, sugar derivatives, catechins, [...] Read more.
Greigia sphacelata (Ruiz and Pav.) Regel (Bromeliaceae) is a Chilean endemic plant popularly known as “quiscal” and produces an edible fruit consumed by the local Mapuche communities named as “chupón”. In this study, several metabolites including phenolic acids, organic acids, sugar derivatives, catechins, proanthocyanidins, fatty acids, iridoids, coumarins, benzophenone, flavonoids, and terpenes were identified in G. sphacelata fruits using ultrahigh performance liquid chromatography-photodiode array detection coupled with a Orbitrap mass spectrometry (UHPLC-PDA-Orbitrap-MS) analysis for the first time. The fruits showed moderate antioxidant capacities (i.e., 487.11 ± 26.22 μmol TE/g dry weight) in the stable radical DPPH assay, 169.08 ± 9.81 TE/g dry weight in the ferric reducing power assay, 190.32 ± 6.23 TE/g dry weight in the ABTS assay, and 76.46 ± 3.18% inhibition in the superoxide anion scavenging assay. The cholinesterase inhibitory potential was evaluated against acetylcholinesterase (AChE) and butyrylcholinesterase (BChE). From the findings, promising results were observed for pulp and seeds. Our findings suggest that G. sphacelata fruits are a rich source of diverse secondary metabolites with antioxidant capacities. In addition, the inhibitory effects against AChE and BChE suggest that natural products or food supplements derived from G. sphacelata fruits are of interest for their neuroprotective potential. Full article
(This article belongs to the Special Issue Natural Products for Neurodegenerative Diseases)
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Open AccessArticle
The Potential Transformation Mechanisms of the Marker Components of Schizonepetae Spica and Its Charred Product
Molecules 2020, 25(16), 3749; https://doi.org/10.3390/molecules25163749 - 17 Aug 2020
Viewed by 295
Abstract
Schizonepetae Spica (SS) is commonly used for treating colds, fevers, bloody stool and metrorrhagia in China. To treat colds and fevers, traditional Chinese medicine doctors often use raw SS, while to treat bloody stool and metrorrhagia, they usually use Schizonepetae Spica Carbonisata (SSC; [...] Read more.
Schizonepetae Spica (SS) is commonly used for treating colds, fevers, bloody stool and metrorrhagia in China. To treat colds and fevers, traditional Chinese medicine doctors often use raw SS, while to treat bloody stool and metrorrhagia, they usually use Schizonepetae Spica Carbonisata (SSC; raw SS processed by stir-frying until carbonization). However, there have been limited investigations designed to uncover the mechanism of stir-fry processing. In the present study, a method combining gas chromatography-mass spectrometry (GC-MS) and high-performance liquid chromatography (HPLC) was developed for the comprehensive analysis of the chemical profiles of SS and SSC samples. Principal component analysis of the GC-MS data demonstrated that there were 16 significant differences in volatile compounds between the SS and SSC samples. The simultaneous quantification of six nonvolatile compounds was also established based on HPLC, and remarkable differences were found between the two products. These changes were probably responsible for the various pharmacological effects of SS and SSC as well as the observed hepatotoxicity. Finally, the mechanisms could be rationalized by deducing possible reactions involved in the transformation of these marker components. This work reports a new strategy to reveal the chemical transformation of SS during stir-fry processing. Full article
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Open AccessReview
Antifungal Activity of Phenolic and Polyphenolic Compounds from Different Matrices of Vitis vinifera L. against Human Pathogens
Molecules 2020, 25(16), 3748; https://doi.org/10.3390/molecules25163748 - 17 Aug 2020
Viewed by 387
Abstract
Phenolic compounds, the most widely distributed class of natural products in the plants, show several biological properties including antifungal activity. Phenolics contained in grapes can be classified in two main groups, flavonoids and non-flavonoids compounds. Variability and yield extraction of phenolic and polyphenolic [...] Read more.
Phenolic compounds, the most widely distributed class of natural products in the plants, show several biological properties including antifungal activity. Phenolics contained in grapes can be classified in two main groups, flavonoids and non-flavonoids compounds. Variability and yield extraction of phenolic and polyphenolic compounds from different matrices of Vitis vinifera depends of cultivar, climate, soil condition and process technology. Unripe grapes, berry skins and seeds, leaves, canes and stems and not-fermented and fermented pomaces represent large reusable and valuable wastes from agricultural and agro-industrial processes. This review summarizes studies that examine the extraction method, chemical characterization, and antifungal activity of phenolic and polyphenolic compounds from edible and non-edible V. vinifera matrices against human fungal pathogens. In the world, around one billion people have fungal diseases related to skin, nail or hair and around 150 million have systemic diseases caused by fungi. Few studies on antifungal activity of plant extracts have been performed. This review provides useful information for the application of V. vinifera phenolics in the field of antifungals for human use. Full article
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Open AccessArticle
Physalis alkekengi L. Extract Reduces the Oxidative Stress, Inflammation and Apoptosis in Endothelial Vascular Cells Exposed to Hyperglycemia
Molecules 2020, 25(16), 3747; https://doi.org/10.3390/molecules25163747 - 17 Aug 2020
Viewed by 344
Abstract
To find new natural remedies in diabetes, this study investigated the biological activity of two extracts obtained from the fruits (PhyF) and herba (PhyH) of Physalis alkekengi var. franchetii L. on human umbilical vein endothelial cells (HUVECs) exposed to normo- and hyperglycemic conditions. [...] Read more.
To find new natural remedies in diabetes, this study investigated the biological activity of two extracts obtained from the fruits (PhyF) and herba (PhyH) of Physalis alkekengi var. franchetii L. on human umbilical vein endothelial cells (HUVECs) exposed to normo- and hyperglycemic conditions. The biological effect was quantified by malondialdehyde, IL-31 and IL-33 levels in correlation with physico-chemical characterization and antioxidant activity. Additionally, from PhyP extract, the caspase-3, IL-6, IL-10, tumor necrosis factor (TNF)-α and nuclear transcription factor NFkB expressions were evaluated. HPLC analysis revealed a significant number of phenolic compounds, especially in PhyF extract, with a good antioxidant activity as highlighted by TEAC, CUPRAC or DPPH methods. On HUVECS cells, the extracts were not toxic even at high concentrations. Particularly PhyF extract, diminished lipid peroxidation and inhibited the IL-31 and IL-33 secretions induced by hyperglycemia. The inhibitory effect on proinflammatory cytokines was noticed after both doses of PhyF extract in parallel with the upregulation of anti-inflammatory cytokine IL-10. Moreover, PhyF, especially in a low dose, reduced caspase-3 active form. These experimental findings suggest that Physalis fruits extract exerted beneficial effects in hyperglycemia by inhibition of oxidative stress, inflammation and apoptosis being a good adjuvant option in diabetes. Full article
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Open AccessArticle
Effect of Reducing Agent on Solution Synthesis of Li3V2(PO4)3 Cathode Material for Lithium Ion Batteries
Molecules 2020, 25(16), 3746; https://doi.org/10.3390/molecules25163746 - 17 Aug 2020
Viewed by 335
Abstract
In this study, Li3V2(PO4)3 (LVP) powders are prepared by a solution synthesis method. The effects of two reducing agents on crystal structure and morphology and electrochemical properties are investigated. Preliminary studies on reducing agents such as [...] Read more.
In this study, Li3V2(PO4)3 (LVP) powders are prepared by a solution synthesis method. The effects of two reducing agents on crystal structure and morphology and electrochemical properties are investigated. Preliminary studies on reducing agents such as oxalic acid and citric acid, are used to reduce the vanadium (V) precursor. The oxalic acid-assisted synthesis induces smaller particles (30 nm) compared with the citric acid-assisted synthesis (70 nm). The LVP powders obtained by the oxalic acid exhibit a higher specific capacity (124 mAh g−1 at 1C) and better cycling performance (122 mAh g−1 following 50 cycles at 1C rate) than those for the citric acid. This is due to their higher electronic conductivity caused by carbon coating and downsizing the particles. The charge-discharge plateaus obtained from cyclic voltammetry are in good agreement with galvanostatic cycling profiles. Full article
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Open AccessArticle
Putative SARS-CoV-2 Mpro Inhibitors from an In-House Library of Natural and Nature-Inspired Products: A Virtual Screening and Molecular Docking Study
Molecules 2020, 25(16), 3745; https://doi.org/10.3390/molecules25163745 - 17 Aug 2020
Viewed by 448
Abstract
A novel coronavirus (severe acute respiratory syndrome coronavirus 2, SARS-CoV-2) has been the cause of a recent global pandemic. The highly contagious nature of this life-threatening virus makes it imperative to find therapies to counteract its diffusion. The main protease (Mpro) [...] Read more.
A novel coronavirus (severe acute respiratory syndrome coronavirus 2, SARS-CoV-2) has been the cause of a recent global pandemic. The highly contagious nature of this life-threatening virus makes it imperative to find therapies to counteract its diffusion. The main protease (Mpro) of SARS-CoV-2 is a promising drug target due to its indispensable role in viral replication inside the host. Using a combined two-steps approach of virtual screening and molecular docking techniques, we have screened an in-house collection of small molecules, mainly composed of natural and nature-inspired compounds. The molecules were selected with high structural diversity to cover a wide range of chemical space into the enzyme pockets. Virtual screening experiments were performed using the blind docking mode of the AutoDock Vina software. Virtual screening allowed the selection of structurally heterogeneous compounds capable of interacting effectively with the enzymatic site of SARS-CoV-2 Mpro. The compounds showing the best interaction with the protein were re-scored by molecular docking as implemented in AutoDock, while the stability of the complexes was tested by molecular dynamics. The most promising candidates revealed a good ability to fit into the protein binding pocket and to reach the catalytic dyad. There is a high probability that at least one of the selected scaffolds could be promising for further research Full article
(This article belongs to the Special Issue Herbal Medicines as Antivirals)
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Open AccessArticle
Isolation and Antibacterial Activity of Indole Alkaloids from Pseudomonas aeruginosa UWI-1
Molecules 2020, 25(16), 3744; https://doi.org/10.3390/molecules25163744 - 17 Aug 2020
Viewed by 367
Abstract
In this study, we report the first isolation of three antibiotic indole alkaloid compounds from a Pseudomonad bacterium, Pseudomonas aeruginosa UWI-1. The bacterium was batch fermented in a modified Luria Broth medium and compounds were solvent extracted and isolated by bioassay-guided fractionation. The [...] Read more.
In this study, we report the first isolation of three antibiotic indole alkaloid compounds from a Pseudomonad bacterium, Pseudomonas aeruginosa UWI-1. The bacterium was batch fermented in a modified Luria Broth medium and compounds were solvent extracted and isolated by bioassay-guided fractionation. The three compounds were identified as (1) tris(1H-indol-3-yl) methylium, (2) bis(indol-3-yl) phenylmethane, and (3) indolo (2, 1b) quinazoline-6, 12 dione. A combination of 1D and 2D NMR, high-resolution mass spectrometry data and comparison from related data from the literature was used to determine the chemical structures of the compounds. Compounds 1–3 were evaluated in vitro for their antimicrobial activities against a wide range of microorganisms using the broth microdilution technique. Compounds 1 and 2 displayed antibacterial activity against only Gram-positive pathogens, although 1 had significantly lower minimum inhibitory concentration (MIC) values than 2. Compound 3 displayed potent broad-spectrum antimicrobial activity against a range of Gram positive and negative bacteria. Several genes identified from the genome of P. aeruginosa UWI-1 were postulated to contribute to the biosynthesis of these compounds and we attempted to outline a possible route for bacterial synthesis. This study demonstrated the extended metabolic capability of Pseudomonas aeruginosa in synthesizing new chemotypes of bioactive compounds. Full article
(This article belongs to the Special Issue Microbial Natural Products)
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Open AccessArticle
Cause of Color Modification in Tanzanite after Heat Treatment
Molecules 2020, 25(16), 3743; https://doi.org/10.3390/molecules25163743 - 16 Aug 2020
Viewed by 432
Abstract
Natural tanzanites usually show strongly trichroic coloration from violet to blue, and brown colors in different directions. However, this characteristic is easily changed to violet-blue dichroism after heat treatment. Moreover, the cause of color modification after heating is still controversial. A few researchers [...] Read more.
Natural tanzanites usually show strongly trichroic coloration from violet to blue, and brown colors in different directions. However, this characteristic is easily changed to violet-blue dichroism after heat treatment. Moreover, the cause of color modification after heating is still controversial. A few researchers have previously suggested that trace amounts of either vanadium or titanium substituted in aluminum site should be the main determinant of color after the heat treatment. Alteration of either V3+ to V4+ or Ti3+ to Ti4+ may relate to light absorption around 450–460 nm, which is the main cause. UV/vis/NIR absorption spectroscopy and X-ray absorption spectroscopy (XAS), a utility of synchrotron radiation, were applied for this experiment. As a result, the violet-blue absorption band (centered around 450–460 nm) as well as green absorption band (centered around 520 nm) were obviously decreased along the c-axis after heating, and XAS analysis indicated the increasing of the oxidation state of vanadium. This result was well supported by the chemical composition of samples. Consequently, vanadium was strongly suggested as the significant coloring agent in tanzanite after heat treatment. Full article
(This article belongs to the Special Issue Analysis of Geological Samples by Spectrochemical Techniques)
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Open AccessFeature PaperReview
Applications of Photoinduced Phenomena in Supramolecularly Arranged Phthalocyanine Derivatives: A Perspective
Molecules 2020, 25(16), 3742; https://doi.org/10.3390/molecules25163742 - 16 Aug 2020
Viewed by 435
Abstract
This review focuses on the description of several examples of supramolecular assemblies of phthalocyanine derivatives differently functionalized and interfaced with diverse kinds of chemical species for photo-induced phenomena applications. In fact, the role of different substituents was investigated in order to tune peculiar [...] Read more.
This review focuses on the description of several examples of supramolecular assemblies of phthalocyanine derivatives differently functionalized and interfaced with diverse kinds of chemical species for photo-induced phenomena applications. In fact, the role of different substituents was investigated in order to tune peculiar aggregates formation as well as, with the same aim, the possibility to interface these derivatives with other molecular species, as electron donor and acceptor, carbon allotropes, cyclodextrins, protein cages, drugs. Phthalocyanine photo-physical features are indeed really interesting and appealing but need to be preserved and optimized. Here, we highlight that the supramolecular approach is a versatile method to build up very complex and functional architectures. Further, the possibility to minimize the organization energy and to facilitate the spontaneous assembly of the molecules, in numerous examples, has been demonstrated to be more useful and performing than the covalent approach. Full article
(This article belongs to the Special Issue Phthalocyanines and Their Analogues: Something Old, Something New)
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Open AccessFeature PaperArticle
Mercury(II) Complexes of Anionic N-Heterocyclic Carbene Ligands: Steric Effects of the Backbone Substituent
Molecules 2020, 25(16), 3741; https://doi.org/10.3390/molecules25163741 - 16 Aug 2020
Viewed by 371
Abstract
Mercury(II) complexes (Me-maloNHCDipp)HgCl (1b), (t-Bu-maloNHCDipp)HgCl (2b) and (t-Bu-maloNHCDipp)HgMe (2c) supported by anionic N-heterocyclic carbenes have been obtained in good yields from the reaction of the potassium [...] Read more.
Mercury(II) complexes (Me-maloNHCDipp)HgCl (1b), (t-Bu-maloNHCDipp)HgCl (2b) and (t-Bu-maloNHCDipp)HgMe (2c) supported by anionic N-heterocyclic carbenes have been obtained in good yields from the reaction of the potassium salt of N-heterocyclic carbene ligand precursors and mercury(II) salts, HgCl2 and MeHgI. These molecules have been characterized by 1H-NMR, 13C-NMR and IR spectroscopy and elemental analysis. X-ray crystal structures of 1b and 2b are also presented. Interestingly, complex 1b is polymeric {(Me-maloNHCDipp)HgCl}n in the solid state, as a result of inter-molecular Hg-O contacts, and features rare three coordinate mercury sites with a T-shaped arrangement, whereas the (t-Bu-maloNHCDipp)HgCl (2b) is monomeric and has a linear, two-coordinate mercury center. The formation of T-shaped structure and the aggregation of complex 1b is attributable to the reduced steric demand of the N-heterocyclic carbene ligand backbone substituent. Full article
(This article belongs to the Special Issue Carbon Ligands: From Fundamental Aspects to Applications)
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Open AccessReview
Boron and Silicon-Substituted 1,3-Dienes and Dienophiles and Their Use in Diels-Alder Reactions
Molecules 2020, 25(16), 3740; https://doi.org/10.3390/molecules25163740 - 16 Aug 2020
Viewed by 351
Abstract
Boron and silicon-substituted 1,3-dienes and boron and silicon-substituted alkenes and alkynes have been known for years and the last 10 years have seen a number of new reports of their preparation and use in Diels-Alder reactions. This review first covers boron-substituted dienes and [...] Read more.
Boron and silicon-substituted 1,3-dienes and boron and silicon-substituted alkenes and alkynes have been known for years and the last 10 years have seen a number of new reports of their preparation and use in Diels-Alder reactions. This review first covers boron-substituted dienes and dienophiles and then moves on to discuss silicon-substituted dienes and dienophiles. Full article
(This article belongs to the Special Issue Diels-Alder Reaction in Organic Synthesis)
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Open AccessArticle
Screening of Heteroaromatic Scaffolds against Cystathionine Beta-Synthase Enables Identification of Substituted Pyrazolo[3,4-c]Pyridines as Potent and Selective Orthosteric Inhibitors
Molecules 2020, 25(16), 3739; https://doi.org/10.3390/molecules25163739 - 16 Aug 2020
Viewed by 418
Abstract
Cystathionine β-synthase (CBS) is a key enzyme in the production of the signaling molecule hydrogen sulfide, deregulation of which is known to contribute to a range of serious pathological states. Involvement of hydrogen sulfide in pathways of paramount importance for cellular homeostasis [...] Read more.
Cystathionine β-synthase (CBS) is a key enzyme in the production of the signaling molecule hydrogen sulfide, deregulation of which is known to contribute to a range of serious pathological states. Involvement of hydrogen sulfide in pathways of paramount importance for cellular homeostasis renders CBS a promising drug target. An in-house focused library of heteroaromatic compounds was screened for CBS modulators by the methylene blue assay and a pyrazolopyridine derivative with a promising CBS inhibitory potential was discovered. The compound activity was readily comparable to the most potent CBS inhibitor currently known, aminoacetic acid, while a promising specificity over the related cystathionine γ-lyase was identified. To rule out any possibility that the inhibitor may bind the enzyme regulatory domain due to its high structural similarity with cofactor s-adenosylmethionine, differential scanning fluorimetry was employed. A sub-scaffold search guided follow-up screening of related compounds, providing preliminary structure-activity relationships with respect to requisites for efficient CBS inhibition by this group of heterocycles. Subsequently, a hypothesis regarding the exact binding mode of the inhibitor was devised on the basis of the available structure-activity relationships (SAR) and a deep neural networks analysis and further supported by induced-fit docking calculations. Full article
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Open AccessReview
NMR Metabolomics Applied on the Discrimination of Variables Influencing Tomato (Solanum lycopersicum)
Molecules 2020, 25(16), 3738; https://doi.org/10.3390/molecules25163738 - 16 Aug 2020
Viewed by 398
Abstract
Tomato composition and nutritional value are attracting increasing attention and interest from both consumers and producers. The interest in enhancing fruits’ quality with respect to beneficious nutrients and flavor/aroma components is based not only in their economic added value but also in their [...] Read more.
Tomato composition and nutritional value are attracting increasing attention and interest from both consumers and producers. The interest in enhancing fruits’ quality with respect to beneficious nutrients and flavor/aroma components is based not only in their economic added value but also in their implications involving organoleptic and healthy properties and has generated considerable research interest among nutraceutical and horticultural industries. The present article reviews up to March 2020 some of the most relevant studies based on the application of NMR coupled to multivariate statistical analysis that have addressed the investigation on tomato (Solanum lycopersicum). Specifically, the NMR untargeted technique in the agri-food sector can generate comprehensive data on metabolic networks and is paving the way towards the understanding of variables affecting tomato crops and composition such as origin, variety, salt-water irrigation, cultivation techniques, stage of development, among many others. Such knowledge is helpful to improve fruit quality through cultural practices that divert the metabolism towards the desired pathways and, probably more importantly, drives further efforts towards the differentiation of those crops developed under controlled and desired agronomical conditions. Full article
(This article belongs to the Special Issue NMR-Based Metabolomics)
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Open AccessArticle
Ten New Dammarane-Type Saponins with Hypolipidemia Activity from a Functional Herbal Tea—Gynostemma pentaphyllum
Molecules 2020, 25(16), 3737; https://doi.org/10.3390/molecules25163737 - 15 Aug 2020
Viewed by 449
Abstract
Gynostemma pentaphyllum (thumb.) Makino is a functional herbal tea commonly used in Asian countries and regions to reduce blood lipid levels. G. pentaphyllum saponin is the main component, but there are still a large number of components with lipid-lowering activity that have not [...] Read more.
Gynostemma pentaphyllum (thumb.) Makino is a functional herbal tea commonly used in Asian countries and regions to reduce blood lipid levels. G. pentaphyllum saponin is the main component, but there are still a large number of components with lipid-lowering activity that have not been found. In this study, 10 novel dammarane-type saponins, (110) and a known one (11) were isolated from G. pentaphyllum. Ten new compounds were identified and named as yunnangypenosides A-J (110), and another known one (11) was also obtained. Their chemical structures were determined by MS, NMR spectroscopic analyses. Moreover, the cytotoxicities on human HepG-2 hepatocellular carcinoma cells of these isolates were evaluated, and the results showed that compounds 111 had no obvious cytotoxicity. Finally, all these compounds were evaluated for their lipid-lowering effect by means of the oil red O staining method. Ten compounds could significantly reduce lipid levels except of 2, especially 8 exhibite the strongest hypolipidemia activity. Full article
(This article belongs to the Special Issue Phytochemicals in Medicine and Food)
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Open AccessArticle
The Study of Antioxidant Components in Grape Seeds
Molecules 2020, 25(16), 3736; https://doi.org/10.3390/molecules25163736 - 15 Aug 2020
Viewed by 425
Abstract
The paper deals with the study of antioxidant properties of extracts from vine seeds (Vitis vinifera L.) using spectrometric and chromatographic techniques. Ten vine varieties (Cerason, Laurot, Kofranka, Gewürztraminer, Hibernal, Blaufrankisch, Zweigeltrebe, Erilon, Palava, and Welschriesling) obtained from the years 2015, 2016, [...] Read more.
The paper deals with the study of antioxidant properties of extracts from vine seeds (Vitis vinifera L.) using spectrometric and chromatographic techniques. Ten vine varieties (Cerason, Laurot, Kofranka, Gewürztraminer, Hibernal, Blaufrankisch, Zweigeltrebe, Erilon, Palava, and Welschriesling) obtained from the years 2015, 2016, and 2017 were selected for the study. The antioxidant activity was determined spectrophotometrically using four fundamentally different methods; the content of total polyphenolic compounds was determined using the Folin–Ciocalteu method. In 2015, the content of 14 antioxidants (gallic acid, caffeic acid, coumaric acid, coutaric acid, ferulic acid, fertaric acid, trans-piceid, trans-piceatannol, rutin, quercetin-3-β-d-glucoside, quercitrin, myricetin, catechin, and epicatechin) were studied. The results of the study show the high content of antioxidant components in grape seeds and the differences in content in individual varieties and in individual years. Full article
(This article belongs to the Special Issue Bioactive Compounds of Fruits, Vegetables and Mushrooms)
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Open AccessReview
Designing Nanoparticles and Nanoalloys for Gas-Phase Catalysis with Controlled Surface Reactivity Using Colloidal Synthesis and Atomic Layer Deposition
Molecules 2020, 25(16), 3735; https://doi.org/10.3390/molecules25163735 - 15 Aug 2020
Viewed by 441
Abstract
Supported nanoparticles are commonly applied in heterogeneous catalysis. The catalytic performance of these solid catalysts is, for a given support, dependent on the nanoparticle size, shape, and composition, thus necessitating synthesis techniques that allow for preparing these materials with fine control over those [...] Read more.
Supported nanoparticles are commonly applied in heterogeneous catalysis. The catalytic performance of these solid catalysts is, for a given support, dependent on the nanoparticle size, shape, and composition, thus necessitating synthesis techniques that allow for preparing these materials with fine control over those properties. Such control can be exploited to deconvolute their effects on the catalyst’s performance, which is the basis for knowledge-driven catalyst design. In this regard, bottom-up synthesis procedures based on colloidal chemistry or atomic layer deposition (ALD) have proven successful in achieving the desired level of control for a variety of fundamental studies. This review aims to give an account of recent progress made in the two aforementioned synthesis techniques for the application of controlled catalytic materials in gas-phase catalysis. For each technique, the focus goes to mono- and bimetallic materials, as well as to recent efforts in enhancing their performance by embedding colloidal templates in porous oxide phases or by the deposition of oxide overlayers via ALD. As a recent extension to the latter, the concept of area-selective ALD for advanced atomic-scale catalyst design is discussed. Full article
(This article belongs to the Special Issue Research on Nanostructured Materials)
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