Journal Description
AppliedChem
AppliedChem
is an international, peer-reviewed, open access journal on all aspects of applied chemistry published quarterly online by MDPI.
- Open Access— free for readers, with article processing charges (APC) paid by authors or their institutions.
- Rapid Publication: manuscripts are peer-reviewed and a first decision is provided to authors approximately 17.2 days after submission; acceptance to publication is undertaken in 5.6 days (median values for papers published in this journal in the second half of 2023).
- Recognition of Reviewers: APC discount vouchers, optional signed peer review and reviewer names are published annually in the journal.
- AppliedChem is a companion journal of Applied Sciences.
Latest Articles
Australian Native Lemongrass (Cymbopogon ambiguus A. Camus): An Underestimated Herbal Plant
AppliedChem 2024, 4(2), 212-223; https://doi.org/10.3390/appliedchem4020014 - 27 May 2024
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Lemongrass (genus Cymbopogon) is commonly used in foods, beverages, cosmetics, pharmaceuticals, and material science. Cymbopogon ambiguus A. Camus, the Australian Native Lemongrass, is a lesser-known member of the genus Cymbopogon, and research on this plant is scarce. Australian Indigenous people use the
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Lemongrass (genus Cymbopogon) is commonly used in foods, beverages, cosmetics, pharmaceuticals, and material science. Cymbopogon ambiguus A. Camus, the Australian Native Lemongrass, is a lesser-known member of the genus Cymbopogon, and research on this plant is scarce. Australian Indigenous people use the stalks and leaves of C. ambiguus as teas. Dried chopped leaves are also used as herbs in cooking. The aim of this study was to determine the proximate composition and bioactive properties of Australian native lemongrass (C. ambiguus). Antimicrobial capacity was carried out using the well diffusion method, antioxidant capacity by the FRAP method, and antidiabetic capacity by using the α-glucosidase inhibitory activity assay. The results obtained in the current study were compared with previously published literature on lemongrass (C. citratus). The results showed that C. ambiguus has lower fat and protein content and lower antioxidant and antimicrobial capacities than C. citratus, but it is very rich in fibre (67.55%) and has strong α-glucosidase inhibitory capacity. The total phenolic and total flavonoid content determined in the aqueous extract of C. ambiguus are also notable. The results of the present study showed that Australian native lemongrass has promising bioactive potential to be used as an alternative native herbal tea.
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Open AccessArticle
Exploring Olive Pit Powder as a Filler for Enhanced Thermal Insulation in Epoxy Mortars to Increase Sustainability in Building Construction
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Veronica D’Eusanio, Andrea Marchetti, Stefano Pastorelli, Michele Silvestri, Lucia Bertacchini and Lorenzo Tassi
AppliedChem 2024, 4(2), 192-211; https://doi.org/10.3390/appliedchem4020013 - 7 May 2024
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This article explores the use of olive pit powder (OPP) as a promising resource for enhancing the thermal insulation properties of epoxy mortars. A comprehensive analysis of the chemical and physical characteristics of OPP was conducted, employing analytical techniques including scanning electron microscopy
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This article explores the use of olive pit powder (OPP) as a promising resource for enhancing the thermal insulation properties of epoxy mortars. A comprehensive analysis of the chemical and physical characteristics of OPP was conducted, employing analytical techniques including scanning electron microscopy (SEM), thermogravimetric analysis and emitted gas analysis (TG-MS-EGA), and proximal analysis. Experimental samples of epoxy grout were prepared by using different proportions of a conventional inorganic filler, quartz powder, and OPP within an epoxy mortar matrix. As the percentage of OPP in the formulation increased, the microstructure of the samples gradually became more porous and less compact. Consequently, there was a decrease in density with the increase in OPP content. The 28-day compressive strength decreased from 46 MPa to 12.8 MPa, respectively, in the samples containing only quartz (Sample E) and only OPP (Sample A) as a filler. Similarly, flexural strength decreased from 35.2 to 5.3 MPa. The thermal conductivity decreased from 0.3 W/mK in Sample E to 0.11 in Sample A. Therefore, increasing the %wt of OPP improved insulating properties while reducing the mechanical resistance values. This study highlights the potential of OPP as an environmentally friendly and thermally efficient filler for epoxy mortars, thereby promoting sustainable construction practices.
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Open AccessArticle
Quantitative Analysis of Formate Production from Plasma-Assisted Electrochemical Reduction of CO2 on Pd-Based Catalysts
by
Jie Hu and Fuqiang Liu
AppliedChem 2024, 4(2), 174-191; https://doi.org/10.3390/appliedchem4020012 - 5 May 2024
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The escalating levels of atmospheric CO2, primarily attributed to human activities, underscore the urgent need for innovative solutions to mitigate environmental challenges. This study delves into the electrochemical reduction of CO2 as a promising avenue for sustainable carbon capture and
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The escalating levels of atmospheric CO2, primarily attributed to human activities, underscore the urgent need for innovative solutions to mitigate environmental challenges. This study delves into the electrochemical reduction of CO2 as a promising avenue for sustainable carbon capture and utilization. Focused on the formation of formate (HCOO−/HCOOH), a high-value product, the research explores the integration of nonthermal plasma (NTP) with electrochemical processes—an approach rarely studied in existing literature. A comprehensive investigation involves varying parameters such as plasma discharging voltage, carrier gas, discharging mode, electrolysis voltage, polarity, and plasma type. The electrochemical tests employ a 10 wt.% Pd/C catalyst, and formate production is quantitatively analyzed using NMR. Results reveal that NTP significantly enhances CO2 reduction, with key factors influencing formate yield elucidated. The study reveals the complexity of CO2 electrochemical reduction, providing novel insights into the synergistic effects of NTP. These findings contribute to advancing sustainable technologies for CO2 utilization, paving the way for more efficient and environmentally friendly processes in the pursuit of a carbon-neutral future.
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Open AccessArticle
Biochar–Nitrogen Composites: Synthesis, Properties, and Use as Fertilizer for Maize
by
Caio Pereira Mota and Carlos Alberto Silva
AppliedChem 2024, 4(2), 157-173; https://doi.org/10.3390/appliedchem4020011 - 17 Apr 2024
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Nitrogen (N) is highly reactive and prone to being easily lost into the air and soil water. Biochar–N composites have proven effective in nourishing and improving maize growth. The aim of this study was to synthesize and assess the properties of composites made
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Nitrogen (N) is highly reactive and prone to being easily lost into the air and soil water. Biochar–N composites have proven effective in nourishing and improving maize growth. The aim of this study was to synthesize and assess the properties of composites made from biochars (pyrolyzed at 300 °C) derived from chicken manure (N = 3.5%) and leguminous cake (N = 9%) and enriched with ammonium sulfate (AS), urea, and diammonium phosphate (DAP). The biochar pH was adjusted to approximately 6 using sulfuric and phosphoric acids prior to formulating the six tested composites. Maize was cultivated for 50 days under greenhouse conditions, with evaluations of the maize dry matter (DM) and N in the plant shoot. The biochar and composite properties underwent scrutiny for chemical and physicochemical attributes, as well as for soluble N in water and in an HCl solution. Throughout maize cultivation, the release of N as ammonium and nitrate from the composites and pure biochars in the Oxisol solution was successively assessed. Composites formulated with DAP and supplied at a dose of 270 mg kg−1 N yielded the same maize dry matter as composites in which 400 mg kg−1 N was supplied to plants. Regardless of the N source, at the end of maize cultivation, the residual N in the Oxisol was reduced and inadequate for a new cultivation, even in soils treated with urea. Notably, the biochar–N composites, particularly those formulated with DAP, were as effective as urea in nourishing and promoting robust maize growth. In contrast, the maize biomass was lower for plants fertilized with pure biochars, indicating that the N from the carbonized matrices was insufficient for optimal biomass production.
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Open AccessArticle
Antidiabetic Activities and GC-MS Analysis of 4-Methoxychalcone
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Leonard D. R. Acho, Edinilze S. C. Oliveira, Simone B. Carneiro, Fernanda Paula A. Melo, Leilane de S. Mendonça, Renyer A. Costa, Rosivaldo S. Borges, Marcos B. Machado, Hector H. F. Koolen, Igor Rafael dos S. Magalhães and Emersom S. Lima
AppliedChem 2024, 4(2), 140-156; https://doi.org/10.3390/appliedchem4020010 - 10 Apr 2024
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Diabetes mellitus is a chronic metabolic disease that is mainly characterized by hyperglycemia. Chalcones and their derivatives have demonstrated promising pharmacological potential for the treatment of diabetes. The aim of the study was to evaluate antidiabetic activities and analyze 4-methoxychalcone (MPP) using GC-MS.
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Diabetes mellitus is a chronic metabolic disease that is mainly characterized by hyperglycemia. Chalcones and their derivatives have demonstrated promising pharmacological potential for the treatment of diabetes. The aim of the study was to evaluate antidiabetic activities and analyze 4-methoxychalcone (MPP) using GC-MS. The compound was characterized using mass spectroscopy, nuclear magnetic resonance and headspace with gas chromatography coupled to mass spectrometry (HS-GC-MS). MPP was evaluated via the inhibition of the alpha-glucosidase enzyme, cell viability and antiglycation and hemolytic activities in vitro. The study of the interaction between the bovine serum albumin protein and MPP was investigated via molecular docking. Oral sucrose tolerance and oral glucose tolerance tests were performed in streptozotocin (STZ)-induced diabetic mice. The HS-GC-MS method was able to accurately detect and characterize the compound, and the interaction between MPP and BSA revealed the remarkable affinity for the two main binding sites of BSA. This was confirmed by the in vitro antiglycation test, since MPP showed activity through both oxidative and non-oxidative stress. MPP significantly attenuated the increase in glycemia after glucose loading in STZ-induced diabetic mice. These results confirm that MPP has antihyperglycemic activity and may be an alternative for the treatment of diabetes mellitus.
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Open AccessArticle
A New Simple Method for the Determination of Complex Wine Aroma Compounds Using GC-MS/MS—The Case of the Greek Variety “Agiorgitiko”
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Ioannis Ligas, Elli Goulioti, Petros Tarantilis and Yorgos Kotseridis
AppliedChem 2024, 4(2), 122-139; https://doi.org/10.3390/appliedchem4020009 - 10 Apr 2024
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Wine exerts a fundamental influence on the global market, and its aroma remains a crucial attribute contributing to its commercial value. The market could benefit significantly if a simple and cheap method of analyzing a wine’s aromatic profile were developed. The purpose of
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Wine exerts a fundamental influence on the global market, and its aroma remains a crucial attribute contributing to its commercial value. The market could benefit significantly if a simple and cheap method of analyzing a wine’s aromatic profile were developed. The purpose of this study is to develop such a method. A multi-analytical method for quantifying 39 volatile compounds of wine aroma was developed and validated using liquid–liquid extraction and gas chromatography/mass spectrometry/mass spectrometry (GC-MS/MS). The method was validated for its linearity, reproducibility, recovery, limit of detection, and limit of quantification and showed excellent results for almost all compounds. The method was applied to 25 commercial Protected Designation of Origin “Nemea” wines, and the results were compared and correlated with the sensory analysis results by a trained panel. The correlations among the parameters indicated that the newly developed GC-MS/MS method produces similar results to human responses.
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Open AccessArticle
Quantitative Analysis of NDMA in Drug Products: A Proposed High-Throughput Approach Using Headspace–SIFT-MS
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Mark J. Perkins, Colin J. Hastie and Vaughan S. Langford
AppliedChem 2024, 4(1), 107-121; https://doi.org/10.3390/appliedchem4010008 - 20 Mar 2024
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Since the initial 2018 recall of angiotensin receptor blockers due to unacceptable levels of mutagenic N-nitrosodimethylamine (NDMA) impurity, numerous drug products delivering diverse active pharmaceutical ingredients (APIs) have been recalled. Regulators and the industry are working together to understand and address this
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Since the initial 2018 recall of angiotensin receptor blockers due to unacceptable levels of mutagenic N-nitrosodimethylamine (NDMA) impurity, numerous drug products delivering diverse active pharmaceutical ingredients (APIs) have been recalled. Regulators and the industry are working together to understand and address this widescale problem. Conventional analysis of NDMA utilizes liquid or gas chromatography-based procedures that can involve complicated sample preparation and slow sample analysis. Selected ion flow tube mass spectrometry (SIFT-MS) analyses NDMA directly in the gas phase using soft chemical ionization, with an LOQ of 2 ng g−1. Through the novel application of the multiple headspace extraction (MHE) technique, NDMA was quantified directly and rapidly from the drug product without dissolution, at levels well below the regulatory acceptable intake of 96 ng day−1. A comparative analysis of recalled metformin using MHE-SIFT-MS and a conventional liquid chromatography–mass spectrometry/mass spectrometry (LC-MS/MS) method showed good agreement. Use of the novel MHE-SIFT-MS approach may enable a wider screening of drug products to be conducted, since it provides around a three-fold increase in daily sample throughput.
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Open AccessReview
Controlled Nickel Nanoparticles: A Review on How Parameters of Synthesis Can Modulate Their Features and Properties
by
Felipe Anchieta e Silva, Vera Maria Martins Salim and Thenner Silva Rodrigues
AppliedChem 2024, 4(1), 86-106; https://doi.org/10.3390/appliedchem4010007 - 13 Mar 2024
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Nickel nanoparticles have wide-ranging applications in diverse fields, including electronics, catalysis, and biomedicine. The unique properties of these nanoparticles depend on their physical and chemical attributes. Consequently, there is a growing interest in understanding the performance relationships through a nuanced comprehension of their
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Nickel nanoparticles have wide-ranging applications in diverse fields, including electronics, catalysis, and biomedicine. The unique properties of these nanoparticles depend on their physical and chemical attributes. Consequently, there is a growing interest in understanding the performance relationships through a nuanced comprehension of their controlled synthesis. This review explores the advancements related to precisely defined nickel nanoparticles, with a specific focus on unraveling the connections between performance and their physical/chemical characteristics. The emphasis is on elucidating how manipulating synthetic parameters, such as precursor concentration, reductant agent properties, temperature, time, and the presence of stabilizing agents, can provide additional avenues for refining the performance in terms of size and morphology. Through the analysis of each variable, we illustrate the methodology for synthesizing well-controlled nickel nanoparticles, showcasing the ability to exert precision over their composition, size, and surface morphology.
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(This article belongs to the Special Issue Latest Perspectives and Reviews in AppliedChem)
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Synergizing Immune Balance: Curcumin Gold Nanoparticles and Ultrasound Irradiation for Macrophage Down-Regulation
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Bruna Henrique Teixeira, Karina de Oliveira Gonçalves, Daniel Perez Vieira and Lilia Coronato Courrol
AppliedChem 2024, 4(1), 70-85; https://doi.org/10.3390/appliedchem4010006 - 6 Mar 2024
Abstract
The multifaceted health benefits of curcumin (Curcuma longa), attributed to its antioxidant, antitumor, and anti-inflammatory activities, have drawn significant scientific attention. Curcumin shows promise as a potential modulator of macrophage polarization, offering a natural strategy for managing inflammation and promoting tissue repair. However,
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The multifaceted health benefits of curcumin (Curcuma longa), attributed to its antioxidant, antitumor, and anti-inflammatory activities, have drawn significant scientific attention. Curcumin shows promise as a potential modulator of macrophage polarization, offering a natural strategy for managing inflammation and promoting tissue repair. However, a limiting factor for this beneficial molecule is its limited bioavailability due to its low solubility in water. This study aimed to quantify the effect of curcumin gold nanoparticle (CurAuNP)-mediated ultrasound irradiation on THP-1-derived macrophages as potential therapeutic targets. The photoreduction method was applied to synthesize the gold nanoparticles with curcumin as a ligand (CurAu). The effect of adding polyethylene glycol in the synthesis process was studied (CurAuPEG). CurAuNP characterization included UV/Vis, Zeta potential, transmission electron microscopy, and FTIR. The amount of singlet oxygen released by curcumin and CurAuNPs was quantified by observing 1.3-diphenylisobenzofuran quenching upon ultrasound irradiation (1 MHz and 1 W/cm2). The results indicated that ultrasound therapy for 4 min with CurAuNPs significantly enhanced singlet oxygen generation and reduced macrophage viability compared to curcumin alone. The increased sonoluminescence and curcumin delivery facilitated by CurAuNPs led to greater curcumin activation. Consequently, CurAuNPs could offer promising therapeutic options for modulating macrophage polarization in pro-inflammatory and anti-inflammatory stages.
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(This article belongs to the Special Issue Nanomaterial Synthesis and Processing for Advanced Applications)
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Green Extraction of Oleoresin from Pink Pepper Fruits: Effect of Experimental Conditions and Characterization
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Ana Flávia A. de Mello, Jaqueline Hoscheid, Djéssica T. Raspe, Natália Stevanato and Camila da Silva
AppliedChem 2024, 4(1), 56-69; https://doi.org/10.3390/appliedchem4010005 - 28 Feb 2024
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This work evaluated the green extraction of oleoresin from pink pepper fruits (ORPPF) using ultrasound-assisted extraction (UAE) and ethanol as a solvent. The effects of temperature, ultrasound power intensity, sample to solvent ratio and time on the global extraction yield (Y
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This work evaluated the green extraction of oleoresin from pink pepper fruits (ORPPF) using ultrasound-assisted extraction (UAE) and ethanol as a solvent. The effects of temperature, ultrasound power intensity, sample to solvent ratio and time on the global extraction yield (YGE) and phenolic compounds yield (YPC) were evaluated. The oleoresin samples were characterized and its antimicrobial activity determined, and the obtained results were compared to conventional extraction in Soxhlet. From the results it was found that the application of the highest levels of the independent variables favored the extraction process. The maximum values of YGE and YPC were 28.60 wt% and 6.37 mg GAE per g fruit, respectively, obtained at 60 °C, 100% of ultrasound power (165 W), 1:20 g mL−1 (sample:solvent) and 45 min. Under maximized conditions, the ORPPF obtained by UAE showed a content of phenolic compounds and antioxidant activity inferior to soxhlet–ethanol extraction. However, the time and solvent consumption were reduced. Oleic and linoleic acids predominated in the fatty acid composition of ORPPF, in addition to sesquiterpenes and gallic and syringic acids. The ORPPF presented weak antibacterial activity, with minimum inhibitory concentration ranging from 31.25 to 125 mg mL−1.
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Open AccessArticle
Hydroxyalkyl Amination of Agarose Gels Improves Adsorption of Bisphenol A and Diclofenac from Water: Conceivable Prospects
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Lennart Ljunggren, Svetlana Ivanova and Alexander E. Ivanov
AppliedChem 2024, 4(1), 42-55; https://doi.org/10.3390/appliedchem4010004 - 24 Feb 2024
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The hydroxyalkyl amination of agarose gels was studied as an approach to improve adsorption of polyphenols and pharmaceuticals from water. Three commercially available agarose gels, Zetarose FlashFlow4, ZetaCell-CL6B and Sepharose 4B were chemically modified using tris-(hydroxymethyl)aminomethane, TRIS, and ethanolamine, EA. The adsorbed amounts
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The hydroxyalkyl amination of agarose gels was studied as an approach to improve adsorption of polyphenols and pharmaceuticals from water. Three commercially available agarose gels, Zetarose FlashFlow4, ZetaCell-CL6B and Sepharose 4B were chemically modified using tris-(hydroxymethyl)aminomethane, TRIS, and ethanolamine, EA. The adsorbed amounts of bisphenol A and diclofenac were significantly higher on TRIS- and EA-derivatives compared with the parent gels. Regarding bisphenol A adsorption on TRIS-ZetaCell-CL6B, a maximal adsorption capacity, Q max of 16 μmol/mL gel and an equilibrium dissociation constant KL of 2.7 × 10−4 mol/L were observed. Filtration of diclofenac-contaminated water through TRIS-Zetarose FlashFlow 4 resulted in a 10-fold reduction of the pollutant concentration within 64 column volumes of the effluent. The moderate binding affinity of polyphenols to TRIS- and EA-adsorbents facilitates efficient polyphenol desorption and column regeneration. The effects of TRIS- and EA-substituents in agarose gels, can be harnessed for the development of environmental adsorbents, as well as for the preparative separation of polyphenols and pharmaceuticals. We consider the physical shapes and textures of the prospective adsorbents with a particular focus on spongy macroporous cryogels. These innovative materials hold promise for future applications in liquid and air filtration.
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Open AccessArticle
Synthesis of Thiophene-Fused Siloles through Rhodium-Catalyzed Trans-Bis-Silylation
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Akinobu Naka, Maho Inoue, Haruna Kawabe and Hisayoshi Kobayashi
AppliedChem 2024, 4(1), 29-41; https://doi.org/10.3390/appliedchem4010003 - 2 Feb 2024
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Rhodium-catalyzed reactions of 3-ethynyl-2-pentamethyldisilanylthiophene derivatives (1a–1c) have been reported. At 110 °C, compounds 1a–1c reacted in the presence of a rhodium complex catalyst, yielding thiophene-fused siloles (2a–2c) through intramolecular trans-bis-silylation. To understand
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Rhodium-catalyzed reactions of 3-ethynyl-2-pentamethyldisilanylthiophene derivatives (1a–1c) have been reported. At 110 °C, compounds 1a–1c reacted in the presence of a rhodium complex catalyst, yielding thiophene-fused siloles (2a–2c) through intramolecular trans-bis-silylation. To understand the production of 2a from 1a, the mechanism was investigated using density functional theory (DFT) calculations.
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Open AccessReview
The Medicinal Moroccan Plant Cladanthus arabicus as a Prominent Source of Sesquiterpenes Cladantholide and Sintenin
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Latifa Bouissane and Christian Bailly
AppliedChem 2024, 4(1), 15-28; https://doi.org/10.3390/appliedchem4010002 - 25 Jan 2024
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The yellow-flowering plant Cladanthus arabicus (L.) Cass., commonly called Arabian Cladanthus or palm springs daisy, is typical of the West Mediterranean region and is particularly abundant in Morocco. The plant is used in traditional Moroccan medicine for the treatment of diabetes and other
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The yellow-flowering plant Cladanthus arabicus (L.) Cass., commonly called Arabian Cladanthus or palm springs daisy, is typical of the West Mediterranean region and is particularly abundant in Morocco. The plant is used in traditional Moroccan medicine for the treatment of diabetes and other ailments. Over the past 20 years, this abundant wild plant has been neglected from a phytochemical viewpoint. For the first time, the present review provides a survey of the pharmacological properties reported from extracts of C. arabicus and from essential oils derived from the aerial parts, mainly antimicrobial, antioxidant, and anti-inflammatory properties. The main bioactive natural products are discussed, with a focus on two rare sesquiterpenes of major interest, which are abundant in the stems and leaves: the 6,12-guaianolide cladantholide and the germacranolide sintenin. These sesquiterpene lactones and their analogues are presented to highlight their properties, extraction or total synthesis, and their therapeutic benefits. They both represent convenient biosourced precursors for the synthesis of derivatives. Sintenin may be used as a starting material for the design of hemi-synthetic germacradienolide-type costunolide or parthenolide derivatives. The 6,12-guaianolide scaffold of cladantholide offers opportunities to design novel arglabin derivatives. The therapeutic potential of the neglected and under-utilized plant Cladanthus arabicus and its original phytochemicals shall be explored further.
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Open AccessReview
Interaction Parameters for the Formation of Mixed Micelles and Partitioning of Solutes in Them: A Review
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Nozomu Suzuki
AppliedChem 2024, 4(1), 1-14; https://doi.org/10.3390/appliedchem4010001 - 10 Jan 2024
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When two or more surfactants are mixed, the critical micelle concentration and solubilization capability are changed, and a careful selection of the combination promotes the micelle formation and enhances the solubilizing capability. Thus, understanding the mechanism behind the phenomena is essential for controlling
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When two or more surfactants are mixed, the critical micelle concentration and solubilization capability are changed, and a careful selection of the combination promotes the micelle formation and enhances the solubilizing capability. Thus, understanding the mechanism behind the phenomena is essential for controlling the physical properties of the mixed micelle. The interaction parameters β and B that describe the formation of mixed micelles and their partitioning of solutes, respectively, were proposed by Treiner four decades ago. In this work, data on the formation and partitioning in binary surfactant systems were collected. Although the data on the parameters β and B for polar solutes and theoretical development are still insufficient, the directions of research to acquire an in-depth understanding of the formation and partitioning of the mixed micelle are proposed.
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Open AccessReview
Aroma Compounds of Carrier Oils
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Tyler Marshall, Noura S. Dosoky, Prabodh Satyal and William N. Setzer
AppliedChem 2023, 3(4), 546-580; https://doi.org/10.3390/appliedchem3040034 - 8 Dec 2023
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Carrier oils are used with essential oils to dilute and enhance skin penetration. They are composed of fatty acids, triglycerides, monoterpenes, and sesquiterpenes and are added to reduce potency and odor. Carrier oils have pharmaceutical applications and reduce cytotoxicity. Solvent extraction is a
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Carrier oils are used with essential oils to dilute and enhance skin penetration. They are composed of fatty acids, triglycerides, monoterpenes, and sesquiterpenes and are added to reduce potency and odor. Carrier oils have pharmaceutical applications and reduce cytotoxicity. Solvent extraction is a common practice in the production of industrial-scale carrier oils, but harmful to the environment, so new eco-friendly methods are being researched. This review documents the available characteristics of various carrier oils and identifies knowledge gaps for future studies.
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Open AccessFeature PaperReview
Light and Shadow in Near-Infrared Spectroscopy: A Powerful Tool for Cannabis sativa L. Analysis
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María del Carmen Díaz-Liñán, Verónica Sánchez de Medina, Carlos Ferreiro-Vera and María Teresa García-Valverde
AppliedChem 2023, 3(4), 526-545; https://doi.org/10.3390/appliedchem3040033 - 29 Nov 2023
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Cannabis sativa L. is an ancient cultivar that has found applications in various fields, e.g., medicine, due to its beneficial effects. However, due to its psychotropic effects, the regulation of this cultivar has increased throughout the decades. In this context, the need for
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Cannabis sativa L. is an ancient cultivar that has found applications in various fields, e.g., medicine, due to its beneficial effects. However, due to its psychotropic effects, the regulation of this cultivar has increased throughout the decades. In this context, the need for rapid and reliable analytical methods to ensure the quality control of Cannabis cultivars has become of extreme importance. NIRS has arisen as a powerful tool in this field due to its multiple advantages, e.g., non-destructive, rapid, and cost-effective. In this article, the chemometric techniques commonly employed in NIRS method development are described, along with their application for the analysis of Cannabis samples. Regarding qualitative methods, different mathematical treatments and classification models are explained. As for quantitative methods, the representative linear and non-linear modelling techniques applied for the development of prediction equations are described, alongside their application in the Cannabis field. To the best of our knowledge, this is the first time this type of review is written, since there are several articles which address cannabinoid determination, but the main purpose of this review is to enhance the potential of NIRS over the traditional techniques employed for the analysis of Cannabis samples.
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Open AccessFeature PaperArticle
Tetrahydroisoquinoline-Triazole Derivatives: Novel Nicotinamide N-Methyltransferase Inhibitors
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Alison T. Ung and Matthew Payne
AppliedChem 2023, 3(4), 509-525; https://doi.org/10.3390/appliedchem3040032 - 21 Nov 2023
Abstract
Through the Lilly Open Innovation Drug Discovery program (OIDD), we discovered five cationic bis(aryltriazol-4-yl)methyl)-6,7-dimethoxytetrahydroisoquinolinium derivatives that effectively inhibit human nicotinamide N-methyltransferase. Compounds 4a, 4c, and 4f demonstrated activity against hNNMT in enzymatic-based testing, with IC50 values of 3.177 μM, 7.9 μM,
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Through the Lilly Open Innovation Drug Discovery program (OIDD), we discovered five cationic bis(aryltriazol-4-yl)methyl)-6,7-dimethoxytetrahydroisoquinolinium derivatives that effectively inhibit human nicotinamide N-methyltransferase. Compounds 4a, 4c, and 4f demonstrated activity against hNNMT in enzymatic-based testing, with IC50 values of 3.177 μM, 7.9 μM, and 4.477 μM, respectively. In cell-based testing, 4c and 4f inhibited the enzyme in HEK293 cells with an IC50 value of 2.81 μM and 1.97 μM. Compound 4m inhibited hNNMT in the enzymatic-based assay by 98% at a concentration of 10 μM, with IC50 of 1.011 μM in the cell-based assay. Through structure-activity relationship analysis, we found that the active compounds had electron-withdrawing substituents at the 4-position of the phenyl-triazole, while compounds containing bulky and electron-donating groups at the same position did not display any activity. The results of docking studies using AutoDock 4.2 showed that all active compounds had similar binding patterns at the NNMT active site. They occupied the nicotinamide binding site and about two-thirds of the S-adenosyl-L-methionine site. However, the SAR and docking results of 4g contradicted the compound’s inactivity. Nevertheless, the molecular docking studies provided insight into how the ligands interact with the protein and explained the activity of our compounds.
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(This article belongs to the Special Issue Feature Papers in AppliedChem)
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Open AccessFeature PaperArticle
Experimental and Simulation Studies for Purification and Etherification of Glycerol from the Biodiesel Industry
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Silvia S. O. Silva, Matheus R. Nascimento, Ricardo J. P. Lima, Francisco Murilo Tavares Luna and Célio Loureiro Cavalcante Júnior
AppliedChem 2023, 3(4), 492-508; https://doi.org/10.3390/appliedchem3040031 - 3 Nov 2023
Cited by 2
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In this study, a purification route was applied to crude glycerol and its valorization via etherification was evaluated. Crude glycerol samples were obtained through transesterification reactions of soybean oil with methanol using potassium hydroxide as catalyst. A set of separation steps (acidification, neutralization,
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In this study, a purification route was applied to crude glycerol and its valorization via etherification was evaluated. Crude glycerol samples were obtained through transesterification reactions of soybean oil with methanol using potassium hydroxide as catalyst. A set of separation steps (acidification, neutralization, salt precipitation, evaporation and removal of contaminants using ion-exchange resins) was performed for purification of crude glycerol. The glycerol contents of crude samples were 46% wt., and for purified samples they were above 98% wt. The etherification reactions were carried out with purified samples and different alcohols (ethanol, isopropanol and 3-methyl-1-butanol) placed into a batch reactor, using a small amount of Amberlyst 15 as a catalyst, with autogenous pressure and solvent-free conditions. The glycerol conversion, selectivity and yield to ethers were evaluated. A glycerol conversion of up to 97% wt. was obtained when using ethanol. For isopropanol, the glycerol conversion rate was 85% (97.1% of monoether and 2.8% of diether). However, the selectivity to ethers for 3-methyl-1-butanol was negligible (<3% wt.). A process simulation for the purification and etherification steps integrated with a biodiesel production process was assessed in terms of productivity and energy consumption, considering different scenarios of glycerol/alcohol molar ratios. Finally, main impacts on the overall energy consumption were evaluated for the purification processes (glycerol and ethers).
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Open AccessArticle
Evaluation of the Effects of Nano-SiO2 Microemulsion on Decompression and Augmented Injection in the Eunan Tight Reservoir
by
Ke Wu, Mingbiao Xu, Shoucheng Wen and Xuefeng Deng
AppliedChem 2023, 3(4), 477-491; https://doi.org/10.3390/appliedchem3040030 - 25 Oct 2023
Abstract
The residual oil saturation of the matrix near the well zone of a tight reservoir is high due to the tight reservoir’s complex conditions, such as the small pore throat radius and low permeability of the matrix and the development of microfractures, which
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The residual oil saturation of the matrix near the well zone of a tight reservoir is high due to the tight reservoir’s complex conditions, such as the small pore throat radius and low permeability of the matrix and the development of microfractures, which can result in serious water channeling, even after long-term water injection development. The aim of this paper is to improve the effects of depressurization and augmented injection for tight reservoir waterflooding development by reducing the tight matrix’s residual oil saturation, increasing and maintaining its water phase permeability near the well zone using a nano-SiO2 microemulsion system with a small particle size and high interfacial activity. Therefore, four nano-microemulsion systems were evaluated and screened for their temperature resistance, salt resistance, interfacial tension, solubilization, and dilution resistance. A microemulsion system of 13% A + 4% B + 4% C + 4% n-butanol + 6% oil phase + 69% NaCl solution (10%) + 1% OP-5 + 0.5% anti-temperature agent + 0.3% nanosilica material was preferred. According to the core displacement experiment, the depressurization rate can reach 28~60% when the injection concentration of the system is 1~10% and the injection volume is 2~5 PV. The results of the on-site test show that the water injection pressure dropped to 17.5 MPa, which was lower than the reservoir fracture re-opening pressure. The pressure reduction rate was approximately 20%. The validity period of the depressurization and augmented injection has reached 23 months to date.
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(This article belongs to the Special Issue Feature Papers in AppliedChem)
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Open AccessArticle
ZnFe2O4/Zeolite Nanocomposites for Sorption Extraction of Cu2+ from Aqueous Medium
by
Elena Tomina, Lyudmila Novikova, Alexandra Kotova, Anna Meshcheryakova, Victoria Krupskaya, Ivan Morozov, Tatiana Koroleva, Ekaterina Tyupina, Nikolai Perov and Yuliya Alekhina
AppliedChem 2023, 3(4), 452-476; https://doi.org/10.3390/appliedchem3040029 - 30 Sep 2023
Abstract
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In order to enhance the efficiency of heavy metal ion extraction from aqueous medium, new nanocomposite magnetic sorbents were synthesized on the base of natural zeolite (Zt) and nanoparticles of ZnFe2O4 (F). The composition, structure and physical–chemical properties of new
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In order to enhance the efficiency of heavy metal ion extraction from aqueous medium, new nanocomposite magnetic sorbents were synthesized on the base of natural zeolite (Zt) and nanoparticles of ZnFe2O4 (F). The composition, structure and physical–chemical properties of new composites with 2% (Zt-2F), 8% (Zt-8F) and 16% (Zt-16F) of zinc ferrite were characterized by XRD, BET adsorption–desorption of nitrogen, SEM with elemental mapping, TEM and magnetometry. The sorption capacity of materials was assessed towards Cu2+ ions in aqueous solutions, for which kinetic and equilibrium features of sorption were established. The maximal sorption capacity (amax, mg/g) of the studied materials increased in the order: Zt (19.4) < Zt-2F (27.3) < Zt-8F (30.2) < Zt-16F (32.8) < ZnFe2O4 (161.3). The kinetics of the sorption process followed a pseudo-second order kinetic model. The sorption equilibrium at zinc ferrite was successfully described by the Langmuir model, while the Freundlich model better fitted the sorption equilibrium on zeolite and composites. The efficiency of Cu2+ ion extraction from 320 mg/dm3 aqueous solution was 63% for composite Zt-16F and 100% for a sample of ZnFe2O4. It was established that the proposed composite sorbents provide the operation of several cycles without regeneration, they can be easily recycled with 0.1 N HCl solution and are capable of magnetic separation. The advantages of new composites and the proposed method of synthesis allow recommending these materials as effective sorbents of heavy metals from wastewater.
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