ChemEngineeringPub Date : 2023-09-14DOI: 10.3390/chemengineering7050084
Iva Zokić, Jasna Prlić Kardum
{"title":"Crystallization Behavior of Ceritinib: Characterization and Optimization Strategies","authors":"Iva Zokić, Jasna Prlić Kardum","doi":"10.3390/chemengineering7050084","DOIUrl":"https://doi.org/10.3390/chemengineering7050084","url":null,"abstract":"Because of the specific thermodynamic properties of active pharmaceutical ingredients, the process of crystallization often meets implementation challenges in the pharmaceutical industry. Therefore, it is essential to select the appropriate method and system for the crystallization of a drug. Ceritinib, an active ingredient in the treatment of lung cancer, was formed as a result of pH modification during the cooling crystallization of ceritinib dihydrochloride solution. By carrying out processes in various solvent systems, several polymorphs were produced. A combination of forms B and C was generated in the ethanol–water system, resulting in smaller crystals. The acetone–water system produced pure form A, which has larger crystals and is more applicable for forthcoming studies. To additionally enhance granulometric properties, ceritinib form A was recrystallized in tetrahydrofuran at different temperatures using antisolvent crystallization. Crystallization at a higher saturation temperature results in larger and more compact crystals, which enhances filtration and drying.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":"55 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"134912571","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}
ChemEngineeringPub Date : 2023-09-12DOI: 10.3390/chemengineering7050083
Sovannmony Lay, Sochetra Sen, Peany Houng
{"title":"Assessment of Bioactive Compounds in Red Peppercorns (Piper nigrum L.) for the Development of Red Peppercorns Powder","authors":"Sovannmony Lay, Sochetra Sen, Peany Houng","doi":"10.3390/chemengineering7050083","DOIUrl":"https://doi.org/10.3390/chemengineering7050083","url":null,"abstract":"Red pepper powder is used as a spice added to various types of foods to improve the spiciness and aroma of foods. The unique aroma and spiciness of red pepper are related to the contents of bioactive compounds, including alkaloids, phenolic compounds, terpenes, and flavonoids. These phytochemical compounds have extensively provided many biological activities, such as antioxidant, anti-inflammatory, and antimicrobial. The assessment of bioactive compounds in red pepper is crucial to evaluate the quality of red pepper powder. Therefore, the objective of this study aimed to analyze total phenolic and total flavonoid compounds for further red peppercorn powder application. To assess the contents of bioactive compounds, Response Surface Methodology (RSM) with Box–Behnken Design (BBD) was applied to design the experiment and analyze the data. Furthermore, extraction conditions such as extraction time (30 to 150 min), temperature (35 to 65 °C), and solid-to-solvent ratio (0.5:10 to 0.5:20 g/mL) were investigated for their effects on the yield of total phenolic and total flavonoid contents. The result of this study found that all extraction parameters significantly affected the extraction yields of phenolic and flavonoid compounds. The aroma and taste of red pepper powder can be adjusted by changing extraction conditions such as temperature, time, and solid-to-solvent ratio because changing these conditions allowed the bioactive compounds to be extracted from red pepper at different concentrations. Overall, the assessment of bioactive compounds in red peppercorns holds significant importance for their application as red peppercorn powder.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":"10 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135885742","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}
ChemEngineeringPub Date : 2023-09-11DOI: 10.3390/chemengineering7050082
Jean Flores-Gómez, Mario Villegas-Ruvalcaba, José Blancas-Flores, Juan Morales-Rivera
{"title":"Chitosan–Resole–Pectin Aerogel in Methylene Blue Removal: Modeling and Optimization Using an Artificial Neuron Network","authors":"Jean Flores-Gómez, Mario Villegas-Ruvalcaba, José Blancas-Flores, Juan Morales-Rivera","doi":"10.3390/chemengineering7050082","DOIUrl":"https://doi.org/10.3390/chemengineering7050082","url":null,"abstract":"In this study, a novel chitosan–resole–pectin aerogel (CS–R–P) was created from a sol–gel reaction with a solution of Cs and P with resole by a freeze-drying technique, and this adsorbent was proposed for the removal of methylene blue (MB). In addition, with the use of an artificial intelligence technique known as an artificial neural network (ANN), this material was modeled and optimized. Its physical morphology and chemical composition were also characterized with FTIR and XPS, and its adsorption properties were analyzed. For modeling the adsorption process, three main parameters were used: the chitosan–resole–pectin concentration (45–75%), thermal treatment (6–36 h), and known concentrations of methylene blue (25–50 and 100 mg/L), established on the Box–Behnken design. The ANN was coupled with the improved gray wolf optimization (IWGO) metaheuristic algorithm, achieving a correlation coefficient of R2 = 0.99. The characterization indicates that the surface of the aerogels was micro- and mesoporous, the resole gave physical stability, and the polysaccharide base delivered the functional groups necessary for dye adsorption; the aerogels were successful dye adsorbents with a qe of 12.44 mg/g. Finally, the physical and chemical sorption was ascertainable with an adsorption that followed pseudo-second-order kinetics. The MB adsorption was clearly occurring though cation exchange and hydrogen binding as observed in the chemical composition. The ANN with the gray wolf optimizer was used for the prediction of the best operating parameters for MB removal, applying the following conditions—the CS–R–P aerogel concentration (52/30/18), the thermal treatment (9.12 h), and the initial concentration of methylene blue (37 mg/L)—achieving a 94.6% removal. These conclusions suggest that using artificial intelligence such as an ANN can provide an efficient and practical model for maximizing the removal action of new aerogels based on chitosan.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":"77 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135980035","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}
ChemEngineeringPub Date : 2023-09-07DOI: 10.3390/chemengineering7050081
Stanislav Čampelj
{"title":"Rheology of Aqueous Ferrofluids: Transition from a Gel-Like Character to a Liquid Character in High Magnetic Fields","authors":"Stanislav Čampelj","doi":"10.3390/chemengineering7050081","DOIUrl":"https://doi.org/10.3390/chemengineering7050081","url":null,"abstract":"Rheological measurements under an applied magnetic field were used to investigate the changes to the internal structure and stability of an aqueous ferrofluid. The ferrofluid was prepared by dispersing 1.8 wt.% of maghemite nanoparticles with a size of d = 14 ± 3 nm and a saturation magnetization MS = 68 emu/g in water using citric acid as the surfactant. In this study, oscillatory tests were used to investigate the internal structural changes and the stability of ferrofluid under the influence of the magnetic field B. In a magnetic field of approximately 50 mT, the G′ became higher than the loss modulus G″ as the ferrofluid exhibited a gel-like character. However, at a magnetic field of approximately 200 mT, the character of the ferrofluid reverted to that of a liquid. The change in the character of the ferrofluid in this high magnetic field was associated with a gradual change from chain agglomerates to the energetically more favourable globular agglomerates, using a calculation based on a model described in a separate work. The globular agglomerates impeded the flow to a much lesser degree than the chains, causing a reduction in the viscosity. Further increase of the magnetic field resulted in sedimentation of agglomerates and loss of magneto-rheological effect.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41799782","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}
ChemEngineeringPub Date : 2023-09-04DOI: 10.3390/chemengineering7050080
Zaid Alhulaybi, Muhammad Martuza, S. Rushd
{"title":"Modeling the Mechanical Properties of a Polymer-Based Mixed-Matrix Membrane Using Deep Learning \u0000Neural Networks","authors":"Zaid Alhulaybi, Muhammad Martuza, S. Rushd","doi":"10.3390/chemengineering7050080","DOIUrl":"https://doi.org/10.3390/chemengineering7050080","url":null,"abstract":"Polylactic acid (PLA), the second most produced biopolymer, was selected for the fabrication of mixed-matrix membranes (MMMs) via the incorporation of HKUST-1 metal–organic framework (MOF) particles into a PLA matrix with the aim of improving mechanical characteristics. A deep learning neural network (DLNN) model was developed on the TensorFlow 2 backend to predict the mechanical properties, stress, strain, elastic modulus, and toughness of the PLA/HKUST-1 MMMs with different input parameters, such as PLA wt%, HKUST-1 wt%, casting thickness, and immersion time. The model was trained and validated with 1214 interpolated datasets in stratified fivefold cross validation. Dropout and early stopping regularizations were applied to prevent model overfitting in the training phase. The model performed consistently for the unknown interpolated datasets and 26 original experimental datasets, with coefficients of determination (R2) of 0.93–0.97 and 0.78–0.88, respectively. The results suggest that the proposed method can build effective DLNNmodels using a small dataset to predict material properties.","PeriodicalId":9755,"journal":{"name":"ChemEngineering","volume":" ","pages":""},"PeriodicalIF":2.5,"publicationDate":"2023-09-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45109279","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}