AppliedChemPub Date : 2024-02-24DOI: 10.3390/appliedchem4010004
Lennart Ljunggren, Svetlana Ivanova, Alexander E. Ivanov
{"title":"Hydroxyalkyl Amination of Agarose Gels Improves Adsorption of Bisphenol A and Diclofenac from Water: Conceivable Prospects","authors":"Lennart Ljunggren, Svetlana Ivanova, Alexander E. Ivanov","doi":"10.3390/appliedchem4010004","DOIUrl":"https://doi.org/10.3390/appliedchem4010004","url":null,"abstract":"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.","PeriodicalId":8123,"journal":{"name":"AppliedChem","volume":"5 3","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140435001","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Synthesis of Thiophene-Fused Siloles through Rhodium-Catalyzed Trans-Bis-Silylation","authors":"Akinobu Naka, Maho Inoue, Haruna Kawabe, Hisayoshi Kobayashi","doi":"10.3390/appliedchem4010003","DOIUrl":"https://doi.org/10.3390/appliedchem4010003","url":null,"abstract":"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.","PeriodicalId":8123,"journal":{"name":"AppliedChem","volume":"218 1-2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139870318","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Synthesis of Thiophene-Fused Siloles through Rhodium-Catalyzed Trans-Bis-Silylation","authors":"Akinobu Naka, Maho Inoue, Haruna Kawabe, Hisayoshi Kobayashi","doi":"10.3390/appliedchem4010003","DOIUrl":"https://doi.org/10.3390/appliedchem4010003","url":null,"abstract":"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.","PeriodicalId":8123,"journal":{"name":"AppliedChem","volume":"7 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139810544","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
AppliedChemPub Date : 2024-01-25DOI: 10.3390/appliedchem4010002
L. Bouissane, Christian Bailly
{"title":"The Medicinal Moroccan Plant Cladanthus arabicus as a Prominent Source of Sesquiterpenes Cladantholide and Sintenin","authors":"L. Bouissane, Christian Bailly","doi":"10.3390/appliedchem4010002","DOIUrl":"https://doi.org/10.3390/appliedchem4010002","url":null,"abstract":"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.","PeriodicalId":8123,"journal":{"name":"AppliedChem","volume":"115 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139596730","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
AppliedChemPub Date : 2024-01-10DOI: 10.3390/appliedchem4010001
Nozomu Suzuki
{"title":"Interaction Parameters for the Formation of Mixed Micelles and Partitioning of Solutes in Them: A Review","authors":"Nozomu Suzuki","doi":"10.3390/appliedchem4010001","DOIUrl":"https://doi.org/10.3390/appliedchem4010001","url":null,"abstract":"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.","PeriodicalId":8123,"journal":{"name":"AppliedChem","volume":"5 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139439013","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
AppliedChemPub Date : 2023-12-08DOI: 10.3390/appliedchem3040034
Tyler Marshall, Noura Sayed Dosoky, P. Satyal, W. Setzer
{"title":"Aroma Compounds of Carrier Oils","authors":"Tyler Marshall, Noura Sayed Dosoky, P. Satyal, W. Setzer","doi":"10.3390/appliedchem3040034","DOIUrl":"https://doi.org/10.3390/appliedchem3040034","url":null,"abstract":"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.","PeriodicalId":8123,"journal":{"name":"AppliedChem","volume":"50 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138588316","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
AppliedChemPub Date : 2023-11-29DOI: 10.3390/appliedchem3040033
M. Díaz-Liñán, Verónica Sánchez de Medina, C. Ferreiro-Vera, María Teresa García-Valverde
{"title":"Light and Shadow in Near-Infrared Spectroscopy: A Powerful Tool for Cannabis sativa L. Analysis","authors":"M. Díaz-Liñán, Verónica Sánchez de Medina, C. Ferreiro-Vera, María Teresa García-Valverde","doi":"10.3390/appliedchem3040033","DOIUrl":"https://doi.org/10.3390/appliedchem3040033","url":null,"abstract":"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.","PeriodicalId":8123,"journal":{"name":"AppliedChem","volume":"20 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139213810","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
AppliedChemPub Date : 2023-11-21DOI: 10.3390/appliedchem3040032
Alison T. Ung, Matthew Payne
{"title":"Tetrahydroisoquinoline-Triazole Derivatives: Novel Nicotinamide N-Methyltransferase Inhibitors","authors":"Alison T. Ung, Matthew Payne","doi":"10.3390/appliedchem3040032","DOIUrl":"https://doi.org/10.3390/appliedchem3040032","url":null,"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, 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.","PeriodicalId":8123,"journal":{"name":"AppliedChem","volume":"48 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139253076","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
AppliedChemPub Date : 2023-11-03DOI: 10.3390/appliedchem3040031
Silvia S. O. Silva, Matheus R. Nascimento, Ricardo J. P. Lima, Francisco Murilo Tavares Luna, Célio Loureiro Cavalcante Júnior
{"title":"Experimental and Simulation Studies for Purification and Etherification of Glycerol from the Biodiesel Industry","authors":"Silvia S. O. Silva, Matheus R. Nascimento, Ricardo J. P. Lima, Francisco Murilo Tavares Luna, Célio Loureiro Cavalcante Júnior","doi":"10.3390/appliedchem3040031","DOIUrl":"https://doi.org/10.3390/appliedchem3040031","url":null,"abstract":"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).","PeriodicalId":8123,"journal":{"name":"AppliedChem","volume":"25 5","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135868710","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
AppliedChemPub Date : 2023-10-25DOI: 10.3390/appliedchem3040030
Ke Wu, Mingbiao Xu, Shoucheng Wen, Xuefeng Deng
{"title":"Evaluation of the Effects of Nano-SiO2 Microemulsion on Decompression and Augmented Injection in the Eunan Tight Reservoir","authors":"Ke Wu, Mingbiao Xu, Shoucheng Wen, Xuefeng Deng","doi":"10.3390/appliedchem3040030","DOIUrl":"https://doi.org/10.3390/appliedchem3040030","url":null,"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 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.","PeriodicalId":8123,"journal":{"name":"AppliedChem","volume":"32 9","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-10-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135169629","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}