Pub Date : 2023-06-02DOI: 10.3390/appliedchem3020019
A. M. Dunaev, V. Motalov, M. Korobov, D. Govorov, V. V. Aleksandriiskii, L. S. Kudin
The processes of the sublimation and thermal decomposition of the 1-ethyl-3-methylimidazolium hexafluorophosphate ionic liquid (EMImPF6) were studied by a complex approach including Knudsen effusion mass spectrometry, IR and NMR spectroscopy, and quantum chemical calculations. It was established that the vapor over the liquid phase primarily consists of decomposition products under equilibrium conditions. Otherwise, the neutral ion pairs are the only vapor components under Langmuir conditions. To identify the nature of the decomposition products, an experiment on the distillation of the ionic liquid was performed and the collected distillate was analyzed. It was revealed by the IR and NMR spectroscopy that EMImPF6 decomposes to substituted imidazole-2-ylidene (C6N2H10PF5) and HF. The measured vapor pressure of C6N2H10PF5 reveals a very low activity of the decomposition products (<10−4) in the liquid phase. The absence of a significant accumulation of decomposition products in the condensed phase makes it possible to determine the enthalpy of sublimation of the ionic liquid assuming its unchanged activity. The thermodynamics of the EMImPF6 sublimation was studied by Knudsen effusion mass spectrometry. The formation enthalpy of EMImPF6 in the ideal gas state was found from a combination of the sublimation enthalpy and formation enthalpy of the ionic liquid in the condensed state. The obtained value is in good agreement with those calculated by quantum chemical methods.
{"title":"Vapor Composition and Vaporization Thermodynamics of 1-Ethyl-3-methylimidazolium Hexafluorophosphate Ionic Liquid","authors":"A. M. Dunaev, V. Motalov, M. Korobov, D. Govorov, V. V. Aleksandriiskii, L. S. Kudin","doi":"10.3390/appliedchem3020019","DOIUrl":"https://doi.org/10.3390/appliedchem3020019","url":null,"abstract":"The processes of the sublimation and thermal decomposition of the 1-ethyl-3-methylimidazolium hexafluorophosphate ionic liquid (EMImPF6) were studied by a complex approach including Knudsen effusion mass spectrometry, IR and NMR spectroscopy, and quantum chemical calculations. It was established that the vapor over the liquid phase primarily consists of decomposition products under equilibrium conditions. Otherwise, the neutral ion pairs are the only vapor components under Langmuir conditions. To identify the nature of the decomposition products, an experiment on the distillation of the ionic liquid was performed and the collected distillate was analyzed. It was revealed by the IR and NMR spectroscopy that EMImPF6 decomposes to substituted imidazole-2-ylidene (C6N2H10PF5) and HF. The measured vapor pressure of C6N2H10PF5 reveals a very low activity of the decomposition products (<10−4) in the liquid phase. The absence of a significant accumulation of decomposition products in the condensed phase makes it possible to determine the enthalpy of sublimation of the ionic liquid assuming its unchanged activity. The thermodynamics of the EMImPF6 sublimation was studied by Knudsen effusion mass spectrometry. The formation enthalpy of EMImPF6 in the ideal gas state was found from a combination of the sublimation enthalpy and formation enthalpy of the ionic liquid in the condensed state. The obtained value is in good agreement with those calculated by quantum chemical methods.","PeriodicalId":8123,"journal":{"name":"AppliedChem","volume":"28 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85617636","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 : 2023-06-01DOI: 10.3390/appliedchem3020018
M. Perkins, Colin Hastie, Sophia E. Whitlock, V. Langford
Residual solvents in pharmaceutical excipients, active pharmaceutical ingredients (APIs), and finished products are usually analyzed using gas chromatography (GC)-based techniques according to a pharmacopeial monograph, such as the United States Pharmacopeia’s (USP) chapter <467>. GC analyses are often slow, which limits sample throughput. Selected ion flow tube mass spectrometry (SIFT-MS) removes the rate-limiting chromatographic separation step, potentially offering faster sample analyses. This approach was demonstrated recently with the publication of an alternative SIFT-MS procedure which was successfully validated against the performance criteria in USP chapter <1467>. The present study expands upon the previous work by conducting a head-to-head comparison of GC-flame ionization detection (GC-FID) and SIFT-MS procedures. The results obtained in this cross-platform study demonstrated similar performance for the GC-FID and SIFT-MS procedures for linearity (R2 > 0.94 and 0.97, respectively) and repeatability (<17%RSD and <10%RSD). For accuracy and recovery, acceptance criteria (within 20%) were achieved for most compounds across the two drug products (SIFT-MS suffered fewer failures, possibly due to shorter wait times prior to analysis). Additionally, SIFT-MS analyzed samples over 11-fold faster than GC-FID, increasing daily sample throughput and reducing the time taken to determine the result. This study therefore suggests that residual solvent analysis using SIFT-MS may support workflow improvements for pharmaceutical manufacturers.
{"title":"Pharmaceutical Residual Solvent Analysis: A Comparison of GC-FID and SIFT-MS Performance","authors":"M. Perkins, Colin Hastie, Sophia E. Whitlock, V. Langford","doi":"10.3390/appliedchem3020018","DOIUrl":"https://doi.org/10.3390/appliedchem3020018","url":null,"abstract":"Residual solvents in pharmaceutical excipients, active pharmaceutical ingredients (APIs), and finished products are usually analyzed using gas chromatography (GC)-based techniques according to a pharmacopeial monograph, such as the United States Pharmacopeia’s (USP) chapter <467>. GC analyses are often slow, which limits sample throughput. Selected ion flow tube mass spectrometry (SIFT-MS) removes the rate-limiting chromatographic separation step, potentially offering faster sample analyses. This approach was demonstrated recently with the publication of an alternative SIFT-MS procedure which was successfully validated against the performance criteria in USP chapter <1467>. The present study expands upon the previous work by conducting a head-to-head comparison of GC-flame ionization detection (GC-FID) and SIFT-MS procedures. The results obtained in this cross-platform study demonstrated similar performance for the GC-FID and SIFT-MS procedures for linearity (R2 > 0.94 and 0.97, respectively) and repeatability (<17%RSD and <10%RSD). For accuracy and recovery, acceptance criteria (within 20%) were achieved for most compounds across the two drug products (SIFT-MS suffered fewer failures, possibly due to shorter wait times prior to analysis). Additionally, SIFT-MS analyzed samples over 11-fold faster than GC-FID, increasing daily sample throughput and reducing the time taken to determine the result. This study therefore suggests that residual solvent analysis using SIFT-MS may support workflow improvements for pharmaceutical manufacturers.","PeriodicalId":8123,"journal":{"name":"AppliedChem","volume":"69 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"81453602","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 : 2023-05-17DOI: 10.3390/appliedchem3020017
Katarzyna M. Szykuła, Tim Offermans, O. Lischtschenko, J. Meurs, D. Guenther, Yvette D. Mattley, M. Jaeger, M. Honing
The awareness of the origin of meat that people consume is rapidly increasing today and with that increases the demand for fast and accurate methods for its distinction. In this work, we present for the first time the application of Raman spectroscopy using a portable spectrometer for the classification of pork. Breeding conditions were distinguished from spectral differences of adipose tissues. The pork samples were obtained from Dutch vendors, from supermarkets with quality marks of 1 and 3 stars, and from a local butcher shop. In total, 60 fat samples were examined using a fiber-optic-coupled Raman spectrometer. Recorded spectra were preprocessed before being subjected to multivariate statistical analysis. An initial data exploration using Principal Component Analysis (PCA) revealed a separation of adipose tissue samples between the lower supermarket quality grade and the samples from the local butcher. Moreover, predictive modeling using Partial Least Squares Discriminant Analysis (PLS-DA) resulted in 96.67% classification accuracy for all three sources, demonstrating the suitability of the presented method for intraspecies meat classification and the potential on-site use.
{"title":"Predicting Animal Welfare Labels from Pork Fat Using Raman Spectroscopy and Chemometrics","authors":"Katarzyna M. Szykuła, Tim Offermans, O. Lischtschenko, J. Meurs, D. Guenther, Yvette D. Mattley, M. Jaeger, M. Honing","doi":"10.3390/appliedchem3020017","DOIUrl":"https://doi.org/10.3390/appliedchem3020017","url":null,"abstract":"The awareness of the origin of meat that people consume is rapidly increasing today and with that increases the demand for fast and accurate methods for its distinction. In this work, we present for the first time the application of Raman spectroscopy using a portable spectrometer for the classification of pork. Breeding conditions were distinguished from spectral differences of adipose tissues. The pork samples were obtained from Dutch vendors, from supermarkets with quality marks of 1 and 3 stars, and from a local butcher shop. In total, 60 fat samples were examined using a fiber-optic-coupled Raman spectrometer. Recorded spectra were preprocessed before being subjected to multivariate statistical analysis. An initial data exploration using Principal Component Analysis (PCA) revealed a separation of adipose tissue samples between the lower supermarket quality grade and the samples from the local butcher. Moreover, predictive modeling using Partial Least Squares Discriminant Analysis (PLS-DA) resulted in 96.67% classification accuracy for all three sources, demonstrating the suitability of the presented method for intraspecies meat classification and the potential on-site use.","PeriodicalId":8123,"journal":{"name":"AppliedChem","volume":"35 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83215166","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 : 2023-05-15DOI: 10.3390/appliedchem3020016
Hugh G. Hiscocks, G. Pascali, A. Ung
Novel SF5-bearing maleimide and acrylamide derivatives were synthesised as potential [18F]radio-prosthetic groups for radiolabelling peptides and proteins. The efficacy of selected prosthetic groups was first assessed through bioconjugation with protected model amino acid derivatives. These reactions were investigated on an analytical scale via LC-MS across a pH range to quantitatively evaluate this prosthetic group’s reactivity and stability. Model bioconjugate reactions were then replicated using analogous para-substituted derivatives to determine the influence of the electronic effects of -SF5. Finally, the SF5-bearing prosthetic groups were utilised for bioconjugation with cancer-targeting c-RGD peptides. N-aryl maleimides reacted extremely efficiently with the model amino acid N-acetyl-L-cysteine. The subsequent conjugates were obtained as regio-isomeric mixtures of the corresponding thio-succinamic acids in yields of 80–96%. Monitoring the bioconjugate reaction by LC-MS revealed that ring hydrolysis of the intermediate SF5–thio-succinimide conjugate occurred instantaneously, an advantageous quality in minimising undesirable thiol exchange reactions with non-targeted cysteine residues. In contrast, N-aryl acrylamides demonstrated poor solubility in semi-aqueous media (<1 mM). In turn, synthetic-scale model bioconjugations with Nα-acetyl-L-lysine were performed in methanol, affording the corresponding acrylamide conjugates in modest to high yield (58–89%). Including electron-deficient, fluorinated prosthetic groups for bioconjugation will broaden their applicability within the fields of 19F-MRI and PET imaging.
{"title":"Evaluation of Substituted N-Aryl Maleimide and Acrylamides for Bioconjugation","authors":"Hugh G. Hiscocks, G. Pascali, A. Ung","doi":"10.3390/appliedchem3020016","DOIUrl":"https://doi.org/10.3390/appliedchem3020016","url":null,"abstract":"Novel SF5-bearing maleimide and acrylamide derivatives were synthesised as potential [18F]radio-prosthetic groups for radiolabelling peptides and proteins. The efficacy of selected prosthetic groups was first assessed through bioconjugation with protected model amino acid derivatives. These reactions were investigated on an analytical scale via LC-MS across a pH range to quantitatively evaluate this prosthetic group’s reactivity and stability. Model bioconjugate reactions were then replicated using analogous para-substituted derivatives to determine the influence of the electronic effects of -SF5. Finally, the SF5-bearing prosthetic groups were utilised for bioconjugation with cancer-targeting c-RGD peptides. N-aryl maleimides reacted extremely efficiently with the model amino acid N-acetyl-L-cysteine. The subsequent conjugates were obtained as regio-isomeric mixtures of the corresponding thio-succinamic acids in yields of 80–96%. Monitoring the bioconjugate reaction by LC-MS revealed that ring hydrolysis of the intermediate SF5–thio-succinimide conjugate occurred instantaneously, an advantageous quality in minimising undesirable thiol exchange reactions with non-targeted cysteine residues. In contrast, N-aryl acrylamides demonstrated poor solubility in semi-aqueous media (<1 mM). In turn, synthetic-scale model bioconjugations with Nα-acetyl-L-lysine were performed in methanol, affording the corresponding acrylamide conjugates in modest to high yield (58–89%). Including electron-deficient, fluorinated prosthetic groups for bioconjugation will broaden their applicability within the fields of 19F-MRI and PET imaging.","PeriodicalId":8123,"journal":{"name":"AppliedChem","volume":"27 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83873618","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 : 2023-05-10DOI: 10.3390/appliedchem3020015
T. Hamieh
The study of the surface thermodynamic properties of solid materials is primordial for the determination of the dispersive surface energy, polar enthalpy of adsorption and Lewis’s acid base properties of solid particles. The inverse gas chromatography technique (IGC) at infinite dilution is the best surface technique for the determination of the surface physicochemical properties of materials. (1) Background: This paper was devoted to studying the surface properties of solid materials, such as alumina, titania and silica particles, using the IGC technique. (2) Methods: Different methods and molecular models, such as the spherical, cylindrical, Van der Waals, Redlich–Kwong, Kiselev and geometric models, were used to determine the London dispersive surface energy of solid surfaces. The Hamieh model was also used and highlighted the thermal effect on the surface area of solvents. (3) Results: The variations of the dispersive surface energy and the free energy of adsorption were determined for solid particles as a function of the temperature, as well as their Lewis’s acid base constants. Alumina surfaces were proved to exhibit a strong Lewis amphoteric character three times more basic than acidic, titanium dioxide more strongly basic than acidic and silica surface exhibited the stronger acidity. (4) Conclusions: The new methodology, based on the Hamieh model, gave the more accurate results of the physicochemical properties of the particle surfaces.
固体材料表面热力学性质的研究是测定固体颗粒的色散表面能、极性吸附焓和路易斯酸碱性质的基础。无限稀释反相气相色谱技术(IGC)是测定材料表面物理化学性质的最佳表面技术。(1)背景:本论文致力于利用IGC技术研究固体材料，如氧化铝、二氧化钛和二氧化硅颗粒的表面特性。(2)方法:采用球形模型、圆柱形模型、Van der Waals模型、Redlich-Kwong模型、Kiselev模型和几何模型等不同的方法和分子模型来确定固体表面的伦敦色散表面能。采用了Hamieh模型，强调了溶剂表面积的热效应。(3)结果:测定了固体颗粒的色散表面能和吸附自由能随温度及其路易斯酸碱常数的变化规律。结果表明，氧化铝表面具有比酸性强3倍的Lewis两性性，二氧化钛表面具有比酸性强的碱性，二氧化硅表面具有更强的酸性。(4)结论:基于Hamieh模型的新方法对颗粒表面的物理化学性质给出了更准确的结果。
{"title":"New Physicochemical Methodology for the Determination of the Surface Thermodynamic Properties of Solid Particles","authors":"T. Hamieh","doi":"10.3390/appliedchem3020015","DOIUrl":"https://doi.org/10.3390/appliedchem3020015","url":null,"abstract":"The study of the surface thermodynamic properties of solid materials is primordial for the determination of the dispersive surface energy, polar enthalpy of adsorption and Lewis’s acid base properties of solid particles. The inverse gas chromatography technique (IGC) at infinite dilution is the best surface technique for the determination of the surface physicochemical properties of materials. (1) Background: This paper was devoted to studying the surface properties of solid materials, such as alumina, titania and silica particles, using the IGC technique. (2) Methods: Different methods and molecular models, such as the spherical, cylindrical, Van der Waals, Redlich–Kwong, Kiselev and geometric models, were used to determine the London dispersive surface energy of solid surfaces. The Hamieh model was also used and highlighted the thermal effect on the surface area of solvents. (3) Results: The variations of the dispersive surface energy and the free energy of adsorption were determined for solid particles as a function of the temperature, as well as their Lewis’s acid base constants. Alumina surfaces were proved to exhibit a strong Lewis amphoteric character three times more basic than acidic, titanium dioxide more strongly basic than acidic and silica surface exhibited the stronger acidity. (4) Conclusions: The new methodology, based on the Hamieh model, gave the more accurate results of the physicochemical properties of the particle surfaces.","PeriodicalId":8123,"journal":{"name":"AppliedChem","volume":"22 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-05-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91056780","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 : 2023-05-09DOI: 10.3390/appliedchem3020014
G. Vergoten, C. Bailly
Among bryophytes, the Plagiochila genus represents a large group of leafy liverworts with over 500 species. Plagiochilins A to X are sesquiterpenoids isolated from Plagiochila species. The lead compound plagiochilin A (Plg-A), endowed with anticancer and antiparasitic properties, has been characterized as a potent mitosis inhibitor, acting selectively at the late stage of cytokinesis termed abscission. The compound perturbs the dynamics of microtubules, blocking cell cycle progression and triggering the death of malignant cells. Based on the compound’s mechanism of action and by analogy with other natural products bearing a dihydro-pyrone moiety, we postulated that Plg-A could bind to the pironetin site of α-tubulin. A molecular docking analysis was performed to compare the bindings of all 24 plagiochilins to α-tubulin and to establish structure–binding relationships. The identification of Plg-E and Plg-G as the best binders in the series highlighted the importance of the C13-OH or C=O group for α-tubulin recognition. This observation led to the testing of the natural-product ester plagiochilin A-15-yl n-octanoate and the corresponding alcohol (Plg-OH), both identified as robust α-tubulin binders. The study provides a rationale to potentially explain the mechanism of action of Plg-A and to guide the design of new derivatives.
在苔藓植物中，Plagiochila属代表了一个大的叶苔属，有500多种。Plagiochilins A ~ X是从Plagiochila属植物中分离得到的倍半萜类化合物。前导化合物plagiochilin A (Plg-A)具有抗癌和抗寄生虫的特性，被认为是一种有效的有丝分裂抑制剂，选择性地作用于细胞分裂的后期，即脱落。该化合物扰乱微管动力学，阻断细胞周期进程，引发恶性细胞死亡。根据该化合物的作用机制，并与其他含有二氢吡咯酮片段的天然产物进行类比，我们假设Plg-A可以结合α-微管蛋白的皮罗蛋白位点。通过分子对接分析，比较了所有24种斜青椒苷与α-微管蛋白的结合，并建立了结构结合关系。Plg-E和plg是该系列中最佳的结合物，这突出了C13-OH或C=O基团对α-微管蛋白识别的重要性。这一观察结果导致了对天然产物油葵苷a -15-酰基辛酸酯和相应的醇(Plg-OH)的测试，两者都被确定为强大的α-微管蛋白粘合剂。该研究为潜在地解释Plg-A的作用机制和指导新衍生物的设计提供了理论基础。
{"title":"The Plagiochilins from Plagiochila Liverworts: Binding to α-Tubulin and Drug Design Perspectives","authors":"G. Vergoten, C. Bailly","doi":"10.3390/appliedchem3020014","DOIUrl":"https://doi.org/10.3390/appliedchem3020014","url":null,"abstract":"Among bryophytes, the Plagiochila genus represents a large group of leafy liverworts with over 500 species. Plagiochilins A to X are sesquiterpenoids isolated from Plagiochila species. The lead compound plagiochilin A (Plg-A), endowed with anticancer and antiparasitic properties, has been characterized as a potent mitosis inhibitor, acting selectively at the late stage of cytokinesis termed abscission. The compound perturbs the dynamics of microtubules, blocking cell cycle progression and triggering the death of malignant cells. Based on the compound’s mechanism of action and by analogy with other natural products bearing a dihydro-pyrone moiety, we postulated that Plg-A could bind to the pironetin site of α-tubulin. A molecular docking analysis was performed to compare the bindings of all 24 plagiochilins to α-tubulin and to establish structure–binding relationships. The identification of Plg-E and Plg-G as the best binders in the series highlighted the importance of the C13-OH or C=O group for α-tubulin recognition. This observation led to the testing of the natural-product ester plagiochilin A-15-yl n-octanoate and the corresponding alcohol (Plg-OH), both identified as robust α-tubulin binders. The study provides a rationale to potentially explain the mechanism of action of Plg-A and to guide the design of new derivatives.","PeriodicalId":8123,"journal":{"name":"AppliedChem","volume":"48 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-05-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80108053","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 : 2023-04-03DOI: 10.3390/appliedchem3020013
A. Magri, Martina Curci, V. Battaglia, A. Fiorentino, M. Petriccione
Fruits undergo numerous chemical, physical, and microbiological changes during storage that shorten their postharvest life, reducing shelf-life and boosting food loss. Food quality and safety are seriously threatened by postharvest infections, one of the factors behind postharvest deterioration and mycotoxin contamination in fruits. The control of postharvest deterioration is a big concern because there are few management methods available. Several attempts have been undertaken to prevent the microbial degradation of fresh food at the postharvest stage without using synthetic fungicides, which are dangerous for the environment and people’s health. A good substitute for synthetic fungicides among them is the use of natural plant compounds, such as essential oils included or not included in the edible coatings. This review’s aim was to collect information from the scientific literature on the biological activity of essential oil, with or without edible coatings, against pathogens that cause the postharvest spoilage of many fruit belonging to Rosaceae family in order to develop appropriate substitute tactics for synthetic fungicides in the treatment of postharvest fruit diseases. Advances and obstacles surrounding emerging methods that may be useful for enhancing the effectiveness and dependability of essential oils were evaluated.
{"title":"Essential Oils in Postharvest Treatment against Microbial Spoilage of the Rosaceae Family Fruits","authors":"A. Magri, Martina Curci, V. Battaglia, A. Fiorentino, M. Petriccione","doi":"10.3390/appliedchem3020013","DOIUrl":"https://doi.org/10.3390/appliedchem3020013","url":null,"abstract":"Fruits undergo numerous chemical, physical, and microbiological changes during storage that shorten their postharvest life, reducing shelf-life and boosting food loss. Food quality and safety are seriously threatened by postharvest infections, one of the factors behind postharvest deterioration and mycotoxin contamination in fruits. The control of postharvest deterioration is a big concern because there are few management methods available. Several attempts have been undertaken to prevent the microbial degradation of fresh food at the postharvest stage without using synthetic fungicides, which are dangerous for the environment and people’s health. A good substitute for synthetic fungicides among them is the use of natural plant compounds, such as essential oils included or not included in the edible coatings. This review’s aim was to collect information from the scientific literature on the biological activity of essential oil, with or without edible coatings, against pathogens that cause the postharvest spoilage of many fruit belonging to Rosaceae family in order to develop appropriate substitute tactics for synthetic fungicides in the treatment of postharvest fruit diseases. Advances and obstacles surrounding emerging methods that may be useful for enhancing the effectiveness and dependability of essential oils were evaluated.","PeriodicalId":8123,"journal":{"name":"AppliedChem","volume":"5 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-04-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86539579","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 : 2023-03-16DOI: 10.3390/appliedchem3010012
Tsz-Ki Victoria Tsui, H. Kong
Climate change has been associated with intensified harmful algal blooms (HABs). Some harmful microalgae produce toxins that accumulate in food webs, adversely affecting the environment, public health and economy. Ocean acidification (OA) is a major consequence of high anthropogenic CO2 emissions. The carbon chemistry and pH of aquatic ecosystems have been significantly altered as a result. The impacts of climate change on the metabolisms of microalgae, especially toxin biosynthesis, remain largely unknown. This hinders the optimization of HAB mitigation for changed climate conditions. To bridge this knowledge gap, previous studies on the effects of ocean acidification on toxin biosynthesis in microalgae were reviewed. There was no solid conclusion for the toxicity change of saxitoxin-producing dinoflagellates from the genus Alexandrium after high CO2 treatment. Increased domoic acid content was observed in the diatom Pseudo-nitzschia. The brevetoxin content of Karenia brevis remained largely unchanged. The underlying regulatory mechanisms that account for the different toxicity levels observed have not been elucidated. Metabolic flux analysis is useful for investigating the carbon allocations of toxic microalgae under OA and revealing related metabolic pathways for toxin biosynthesis. Gaining knowledge of the responses of microalgae in high CO2 conditions will allow the better risk assessment of HABs in the future.
{"title":"Metabolomics Approach to Reveal the Effects of Ocean Acidification on the Toxicity of Harmful Microalgae: A Review of the Literature","authors":"Tsz-Ki Victoria Tsui, H. Kong","doi":"10.3390/appliedchem3010012","DOIUrl":"https://doi.org/10.3390/appliedchem3010012","url":null,"abstract":"Climate change has been associated with intensified harmful algal blooms (HABs). Some harmful microalgae produce toxins that accumulate in food webs, adversely affecting the environment, public health and economy. Ocean acidification (OA) is a major consequence of high anthropogenic CO2 emissions. The carbon chemistry and pH of aquatic ecosystems have been significantly altered as a result. The impacts of climate change on the metabolisms of microalgae, especially toxin biosynthesis, remain largely unknown. This hinders the optimization of HAB mitigation for changed climate conditions. To bridge this knowledge gap, previous studies on the effects of ocean acidification on toxin biosynthesis in microalgae were reviewed. There was no solid conclusion for the toxicity change of saxitoxin-producing dinoflagellates from the genus Alexandrium after high CO2 treatment. Increased domoic acid content was observed in the diatom Pseudo-nitzschia. The brevetoxin content of Karenia brevis remained largely unchanged. The underlying regulatory mechanisms that account for the different toxicity levels observed have not been elucidated. Metabolic flux analysis is useful for investigating the carbon allocations of toxic microalgae under OA and revealing related metabolic pathways for toxin biosynthesis. Gaining knowledge of the responses of microalgae in high CO2 conditions will allow the better risk assessment of HABs in the future.","PeriodicalId":8123,"journal":{"name":"AppliedChem","volume":"27 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-03-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87793323","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 : 2023-03-02DOI: 10.3390/appliedchem3010011
V. Sapunov, G. Dzhabarov, V. Shadrina, M. S. Voronov, R. Kozlovskiy, Pavel A. Orel, Lubov N. Magorina, Tatiana D. Izmailova, Elena V. Boldina
This work is concerned with polyethylene terephthalate (PET) saponification by different potassium compounds in various polyols as well as biodiesel’s main by-product, crude glycerol. It was established that reaction conditions (initial PET/K+ molar ratio, reaction time, etc.) could control the molecular weight of obtained oligomeric products. In ethylene glycol, depolymerization proceeds rapidly, and already at 10–30 min, PET is completely dissolved in the reaction mixture with the formation of liquid oligomers. Then, these oligomers react with potassium compounds, and after 200 min of the process, there are only solid, low-molecular-weight products (dipotassium terephthalate, monomers, and dimers). At the same time, PET saponification in pure glycerol is less effective, and solid polyether flakes could not fully decompose even after 200 min of the process. Crude glycerol takes the middle position between pure polyols. Based on the obtained data, an improved kinetic model was developed, and rate constants were estimated. This model takes into account PET saponification by potassium salts as well as direct PET glycolysis. Ethylene glycol is formed in situ by transesterification between fatty acid ethylene glycol esters and glycerol in the case of pure and crude glycerol.
{"title":"Comparative Reactivity of Different Polyols in the PET Saponification Process","authors":"V. Sapunov, G. Dzhabarov, V. Shadrina, M. S. Voronov, R. Kozlovskiy, Pavel A. Orel, Lubov N. Magorina, Tatiana D. Izmailova, Elena V. Boldina","doi":"10.3390/appliedchem3010011","DOIUrl":"https://doi.org/10.3390/appliedchem3010011","url":null,"abstract":"This work is concerned with polyethylene terephthalate (PET) saponification by different potassium compounds in various polyols as well as biodiesel’s main by-product, crude glycerol. It was established that reaction conditions (initial PET/K+ molar ratio, reaction time, etc.) could control the molecular weight of obtained oligomeric products. In ethylene glycol, depolymerization proceeds rapidly, and already at 10–30 min, PET is completely dissolved in the reaction mixture with the formation of liquid oligomers. Then, these oligomers react with potassium compounds, and after 200 min of the process, there are only solid, low-molecular-weight products (dipotassium terephthalate, monomers, and dimers). At the same time, PET saponification in pure glycerol is less effective, and solid polyether flakes could not fully decompose even after 200 min of the process. Crude glycerol takes the middle position between pure polyols. Based on the obtained data, an improved kinetic model was developed, and rate constants were estimated. This model takes into account PET saponification by potassium salts as well as direct PET glycolysis. Ethylene glycol is formed in situ by transesterification between fatty acid ethylene glycol esters and glycerol in the case of pure and crude glycerol.","PeriodicalId":8123,"journal":{"name":"AppliedChem","volume":"306 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-03-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76862690","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 : 2023-03-01DOI: 10.3390/appliedchem3010010
Aleksandra Miłos, Marcin Gackowski, A. Przybylska, Piotr Kośliński, M. Koba
Drug addiction is a disease that is characterized by a compulsion, a desire to take different substances permanently or for a certain period of time. Numerous negative incidents, such as crimes, work accidents and traffic accidents, are related to using illegal substances. Therefore, urine drug cassette tests have become a screening tool. However, considering legal consequences of test result, the question arises of their performance and reliability. On this account, the main objective of this study was to evaluate the sensitivity and specificity of urine drug tests available on the commercial pharmaceutical market. Evaluated tests were immersed in synthetic urine diluent spiked with amphetamine at various concentrations also containing potentially interfering substances such as caffeine, paracetamol and acetylsalicylic acid, and after a certain period of time, it was observed whether the result was as expected. The reference method used in this study was high-performance liquid chromatography. The obtained results confirmed the declared cut-off as well as specificity of rapid diagnostic tests.
{"title":"Comparison of Sensitivity and Specificity of Commercial Amphetamine Tests","authors":"Aleksandra Miłos, Marcin Gackowski, A. Przybylska, Piotr Kośliński, M. Koba","doi":"10.3390/appliedchem3010010","DOIUrl":"https://doi.org/10.3390/appliedchem3010010","url":null,"abstract":"Drug addiction is a disease that is characterized by a compulsion, a desire to take different substances permanently or for a certain period of time. Numerous negative incidents, such as crimes, work accidents and traffic accidents, are related to using illegal substances. Therefore, urine drug cassette tests have become a screening tool. However, considering legal consequences of test result, the question arises of their performance and reliability. On this account, the main objective of this study was to evaluate the sensitivity and specificity of urine drug tests available on the commercial pharmaceutical market. Evaluated tests were immersed in synthetic urine diluent spiked with amphetamine at various concentrations also containing potentially interfering substances such as caffeine, paracetamol and acetylsalicylic acid, and after a certain period of time, it was observed whether the result was as expected. The reference method used in this study was high-performance liquid chromatography. The obtained results confirmed the declared cut-off as well as specificity of rapid diagnostic tests.","PeriodicalId":8123,"journal":{"name":"AppliedChem","volume":"12 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90671545","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}
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