Pub Date : 2024-02-24DOI: 10.3390/appliedchem4010004
Lennart Ljunggren, Svetlana Ivanova, Alexander E. Ivanov
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.
研究人员对琼脂糖凝胶进行了羟烷基胺化处理，以此来改善水中多酚和药物的吸附性。使用三羟甲基氨基甲烷（TRIS）和乙醇胺（EA）对三种市售琼脂糖凝胶（Zetarose FlashFlow4、ZetaCell-CL6B 和 Sepharose 4B）进行了化学改性。与母体凝胶相比，TRIS 和 EA 衍生物对双酚 A 和双氯芬酸的吸附量明显较高。双酚 A 在 TRIS-ZetaCell-CL6B 凝胶上的最大吸附容量 Q max 为 16 μmol/mL，平衡解离常数 KL 为 2.7 × 10-4 mol/L。通过 TRIS-Zetarose FlashFlow 4 过滤双氯芬酸污染的水，在 64 柱体积的流出物中，污染物浓度降低了 10 倍。多酚与 TRIS 和 EA 吸附剂的结合亲和力适中，有利于多酚的高效解吸和柱再生。琼脂糖凝胶中 TRIS 和 EA-吸附剂的作用可用于开发环境吸附剂以及多酚和药物的制备分离。我们考虑了未来吸附剂的物理形状和质地，尤其关注海绵状大孔低温凝胶。这些创新材料未来有望应用于液体和空气过滤。
{"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}
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.
{"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}
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.
{"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}
Pub Date : 2024-01-25DOI: 10.3390/appliedchem4010002
L. Bouissane, Christian Bailly
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.
{"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}
Pub Date : 2024-01-10DOI: 10.3390/appliedchem4010001
Nozomu Suzuki
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.
当两种或两种以上的表面活性剂混合时，临界胶束浓度和增溶能力都会发生变化，而精心选择的组合能促进胶束的形成并提高增溶能力。因此，了解这些现象背后的机理对于控制混合胶束的物理性质至关重要。四十年前，Treiner 提出了分别描述混合胶束的形成和溶质分配的相互作用参数 β 和 B。这项工作收集了二元表面活性剂体系中形成和分配的数据。虽然有关极性溶质参数 β 和 B 的数据和理论发展还不够充分，但提出了深入了解混合胶束的形成和分配的研究方向。
{"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}
Pub Date : 2023-12-08DOI: 10.3390/appliedchem3040034
Tyler Marshall, Noura Sayed Dosoky, P. Satyal, W. Setzer
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.
{"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}
Pub Date : 2023-11-29DOI: 10.3390/appliedchem3040033
M. Díaz-Liñán, Verónica Sánchez de Medina, C. Ferreiro-Vera, María Teresa García-Valverde
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.
{"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}
Pub Date : 2023-11-21DOI: 10.3390/appliedchem3040032
Alison T. Ung, Matthew Payne
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.
{"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}
Pub 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
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).
{"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}
Pub Date : 2023-10-25DOI: 10.3390/appliedchem3040030
Ke Wu, Mingbiao Xu, Shoucheng Wen, Xuefeng Deng
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.
由于致密储层孔喉半径小、渗透率低、微裂缝发育等复杂条件，致密储层井区附近基质剩余油饱和度较高，即使长期注水开发，也会造成严重的水通道。本文的目的是利用小粒径、高界面活性的纳米sio2微乳液体系，通过降低致密基质的剩余油饱和度，提高并保持其在井区附近的水相渗透率，从而提高致密储层水驱开发的降压和增注效果。因此，对四种纳米微乳液体系的耐温性、耐盐性、界面张力、增溶性和抗稀释性进行了评价和筛选。优选的微乳液体系为13% A + 4% B + 4% C + 4%正丁醇+ 6%油相+ 69% NaCl溶液(10%)+ 1% OP-5 + 0.5%抗温剂+ 0.3%纳米二氧化硅材料。岩心置换实验表明，当体系注入浓度为1~10%，注入体积为2~ 5pv时，降压率可达28~60%。现场试验结果表明，注水压力降至17.5 MPa，低于储层裂缝再开压力。压降率约为20%。降压增注的有效期至今已达23个月。
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