M A Petrunin, T A Yurasova, A A Rybkina, L B Maksaeva
The formation of polymeric self-organizing organosilicon surface nanolayers on copper occuring as a result of modification of the metal surface with organosilane-based formulations has been studied. The anticorrosive effect of such surface layers in corrosive chloride-containing electrolytes as well as in artificial and natural atmospheres has been studied in detail. It has been found that the maximum protective effect is observed at a thickness of 3.8 molecular layers, where the densest cross-linked polymer layers are formed that hinder the adsorption of chloride ions and other corrosive agents on the metal surface, thus significantly reducing the rate of their reactions with the surface copper atoms, and, as a result, inhibiting the corrosion and local anodic dissolution of the metal.
{"title":"Effect of Surface Polymeric Organosilicon Nanolayers on the Electrochemical and Corrosion Behavior of Copper.","authors":"M A Petrunin, T A Yurasova, A A Rybkina, L B Maksaeva","doi":"10.3390/polym16213066","DOIUrl":"10.3390/polym16213066","url":null,"abstract":"<p><p>The formation of polymeric self-organizing organosilicon surface nanolayers on copper occuring as a result of modification of the metal surface with organosilane-based formulations has been studied. The anticorrosive effect of such surface layers in corrosive chloride-containing electrolytes as well as in artificial and natural atmospheres has been studied in detail. It has been found that the maximum protective effect is observed at a thickness of 3.8 molecular layers, where the densest cross-linked polymer layers are formed that hinder the adsorption of chloride ions and other corrosive agents on the metal surface, thus significantly reducing the rate of their reactions with the surface copper atoms, and, as a result, inhibiting the corrosion and local anodic dissolution of the metal.</p>","PeriodicalId":20416,"journal":{"name":"Polymers","volume":"16 21","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11548580/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142627053","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Maria Viorica Ciocîlteu, Andreea Gabriela Mocanu, Andrei Biță, Costel Valentin Manda, Claudiu Nicolicescu, Gabriela Rău, Ionela Belu, Andreea Silvia Pîrvu, Maria Balasoiu, Valentin Nănescu, Oana Elena Nicolaescu
The current strategy for treating osteomyelitis includes surgical procedures for complete debridement of the formed biofilm and necrotic tissues, systemic and oral antibiotic therapy, and the clinical use of cements and three-dimensional scaffolds as bone defect fillers and delivery systems for therapeutic agents. The aim of our research was to formulate a low-cost hybrid nanoparticulate biomaterial using poly(lactic-co-glycolic acid) (PLGA), in which we incorporated the therapeutic agent (ciprofloxacin), and to deposit this material on titanium plates using the matrix-assisted pulsed laser evaporation (MAPLE) technique. The deposited material demonstrated antibacterial properties, with all analyzed samples inhibiting the growth of tested bacterial strains, confirming the release of active substances from the investigated biocomposite. The poly(lactic-co-glycolic acid)-ciprofloxacin (PLGA-CIP) nanoparticle scaffolds displayed a prolonged local sustained release profile over a period of 45 days, which shows great promise in bone infections. Furthermore, the burst release ensures a highly efficient concentration, followed by a constant sustained release which allows the drug to remain in the implant-adjacent area for an extended time period.
{"title":"Development of Hybrid Implantable Local Release Systems Based on PLGA Nanoparticles with Applications in Bone Diseases.","authors":"Maria Viorica Ciocîlteu, Andreea Gabriela Mocanu, Andrei Biță, Costel Valentin Manda, Claudiu Nicolicescu, Gabriela Rău, Ionela Belu, Andreea Silvia Pîrvu, Maria Balasoiu, Valentin Nănescu, Oana Elena Nicolaescu","doi":"10.3390/polym16213064","DOIUrl":"10.3390/polym16213064","url":null,"abstract":"<p><p>The current strategy for treating osteomyelitis includes surgical procedures for complete debridement of the formed biofilm and necrotic tissues, systemic and oral antibiotic therapy, and the clinical use of cements and three-dimensional scaffolds as bone defect fillers and delivery systems for therapeutic agents. The aim of our research was to formulate a low-cost hybrid nanoparticulate biomaterial using poly(lactic-co-glycolic acid) (PLGA), in which we incorporated the therapeutic agent (ciprofloxacin), and to deposit this material on titanium plates using the matrix-assisted pulsed laser evaporation (MAPLE) technique. The deposited material demonstrated antibacterial properties, with all analyzed samples inhibiting the growth of tested bacterial strains, confirming the release of active substances from the investigated biocomposite. The poly(lactic-co-glycolic acid)-ciprofloxacin (PLGA-CIP) nanoparticle scaffolds displayed a prolonged local sustained release profile over a period of 45 days, which shows great promise in bone infections. Furthermore, the burst release ensures a highly efficient concentration, followed by a constant sustained release which allows the drug to remain in the implant-adjacent area for an extended time period.</p>","PeriodicalId":20416,"journal":{"name":"Polymers","volume":"16 21","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11548050/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142626930","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Nara Shin, Su Hyun Kim, Jinok Oh, Suwon Kim, Yeda Lee, Yuni Shin, Suhye Choi, Shashi Kant Bhatia, Jong-Min Jeon, Jeong-Jun Yoon, Jeong Chan Joo, Yung-Hun Yang
Polyhydroxyalkanoate (PHA), specifically poly(3-hydroxybutyrate-co-3-hydroxyhexanoate) (P(3HB-co-3HHx), PHBHHx) with physical properties governed by the 3-hydroxyhexanoate (3HHx) mole fraction, is a promising bioplastic. Although engineered strains used to produce P(3HB-co-3HHx) with various 3HHx mole contents and fermentation techniques have been studied, mass production with specific 3HHx fractions and monomers depends on the batch, supply of substrates, and strains, resulting in the time-consuming development of strains and complex culture conditions for P(3HB-co-3HHx). To overcome these limitations, we blended poly(3-hydroxybutyrate) [(P(3HB), produced from C. necator H16] and P(3HB-co-20 mol%3HHx) [from C. necator 2668/pCB81] to prepare films with various 3HHx contents. We evaluated the molecular weight and physical, thermal, and mechanical properties of these films and confirmed the influence of the 3HHx monomer content on the mechanical and thermal properties as well as degradability of the blended P(3HB-co-3HHx) films containing various 3HHx mole fractions, similar to that of original microbial-based P(3HB-co-3HHx). Moreover, the degradation rate analyzed via Microbulbifer sp. was >76% at all blending ratios within 2 days, whereas a weaker effect of the 3HHx mole fraction of the blended polymer on degradation was observed. P(3HB-co-3HHx) could be produced via simple blending using abundantly produced P(3HB) and P(3HB-co-20 mol%HHx), and the resulting copolymer is applicable as a biodegradable plastic.
{"title":"Evaluation of Blended Poly(3-hydroxybutyrate-<i>co</i>-3-hydroxyhexanoate) Properties Containing Various 3HHx Monomers.","authors":"Nara Shin, Su Hyun Kim, Jinok Oh, Suwon Kim, Yeda Lee, Yuni Shin, Suhye Choi, Shashi Kant Bhatia, Jong-Min Jeon, Jeong-Jun Yoon, Jeong Chan Joo, Yung-Hun Yang","doi":"10.3390/polym16213077","DOIUrl":"10.3390/polym16213077","url":null,"abstract":"<p><p>Polyhydroxyalkanoate (PHA), specifically poly(3-hydroxybutyrate-<i>co</i>-3-hydroxyhexanoate) (P(3HB-<i>co</i>-3HHx), PHBHHx) with physical properties governed by the 3-hydroxyhexanoate (3HHx) mole fraction, is a promising bioplastic. Although engineered strains used to produce P(3HB-<i>co</i>-3HHx) with various 3HHx mole contents and fermentation techniques have been studied, mass production with specific 3HHx fractions and monomers depends on the batch, supply of substrates, and strains, resulting in the time-consuming development of strains and complex culture conditions for P(3HB-<i>co</i>-3HHx). To overcome these limitations, we blended poly(3-hydroxybutyrate) [(P(3HB), produced from <i>C. necator</i> H16] and P(3HB-<i>co</i>-20 mol%3HHx) [from <i>C. necator</i> 2668/pCB81] to prepare films with various 3HHx contents. We evaluated the molecular weight and physical, thermal, and mechanical properties of these films and confirmed the influence of the 3HHx monomer content on the mechanical and thermal properties as well as degradability of the blended P(3HB-<i>co</i>-3HHx) films containing various 3HHx mole fractions, similar to that of original microbial-based P(3HB-<i>co</i>-3HHx). Moreover, the degradation rate analyzed via <i>Microbulbifer</i> sp. was >76% at all blending ratios within 2 days, whereas a weaker effect of the 3HHx mole fraction of the blended polymer on degradation was observed. P(3HB-<i>co</i>-3HHx) could be produced via simple blending using abundantly produced P(3HB) and P(3HB-<i>co</i>-20 mol%HHx), and the resulting copolymer is applicable as a biodegradable plastic.</p>","PeriodicalId":20416,"journal":{"name":"Polymers","volume":"16 21","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11548210/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142627070","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Anthony Keyes, Christopher M Saffron, Shilpa Manjure, Ramani Narayan
In this paper, we examine how traditional life-cycle assessment (LCA) for bio-based and compostable plastics overlooks issues surrounding carbon sequestration and microplastic persistence. To outline biased comparisons drawn from these omitted environmental impacts, we provide, as an example, a comparative LCA for compostable biobased vs. non-compostable fossil-based materials. In doing so we (1) demonstrate the proper way to capture carbon footprints to make fair comparisons and (2) identify the overlooked issues of microplastics and the need for non-persistent alternatives. By ensuring accurate biogenic carbon capture, key contributors to CO2 evolution are properly identified, allowing well-informed changes to formulations that can reduce the environmental impact of greenhouse gas emissions. In a complimentary manner, we summarize the growing research surrounding microplastic persistence and toxicity. We highlight the fundamental ability and the growing number of studies that show that industrial composting can completely mineralize certified compostable materials. This mineralization exists as a viable solution to combat microplastic persistence, currently an absent impact category in LCA. In summary, we propose a new paradigm in which the value proposition of biobased materials can be accurately captured while highlighting compostables as a solution for the increasing microplastic accumulation in the environment.
{"title":"Biobased Compostable Plastics End-of-Life: Environmental Assessment Including Carbon Footprint and Microplastic Impacts.","authors":"Anthony Keyes, Christopher M Saffron, Shilpa Manjure, Ramani Narayan","doi":"10.3390/polym16213073","DOIUrl":"10.3390/polym16213073","url":null,"abstract":"<p><p>In this paper, we examine how traditional life-cycle assessment (LCA) for bio-based and compostable plastics overlooks issues surrounding carbon sequestration and microplastic persistence. To outline biased comparisons drawn from these omitted environmental impacts, we provide, as an example, a comparative LCA for compostable biobased vs. non-compostable fossil-based materials. In doing so we (1) demonstrate the proper way to capture carbon footprints to make fair comparisons and (2) identify the overlooked issues of microplastics and the need for non-persistent alternatives. By ensuring accurate biogenic carbon capture, key contributors to CO<sub>2</sub> evolution are properly identified, allowing well-informed changes to formulations that can reduce the environmental impact of greenhouse gas emissions. In a complimentary manner, we summarize the growing research surrounding microplastic persistence and toxicity. We highlight the fundamental ability and the growing number of studies that show that industrial composting can completely mineralize certified compostable materials. This mineralization exists as a viable solution to combat microplastic persistence, currently an absent impact category in LCA. In summary, we propose a new paradigm in which the value proposition of biobased materials can be accurately captured while highlighting compostables as a solution for the increasing microplastic accumulation in the environment.</p>","PeriodicalId":20416,"journal":{"name":"Polymers","volume":"16 21","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11548190/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142626765","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Asadullah, Kittaporn Ngiwngam, Jaejoon Han, Pornchai Rachtanapun, Rafael Auras, Thomas Karbowiak, Duangjai Noiwan, Masubon Thongngam, Wirongrong Tongdeesoontorn
This study involved producing aerogels using activated carbon (AC) and nanocellulose (NC). Two distinct structured composites, AC composite aerogel (ACCA) and NC composite aerogel (NCCA), were developed by separately mixing AC and NC with identical proportions of cross-linked biopolymers: hydroxypropyl methylcellulose (HPMC), methylcellulose (MC), and chitosan (C). These aerogels were evaluated for their capability to adsorb ethylene gas through batch experiments, while the physical and chemical characteristics were thoroughly examined to determine their feasibility of removing ethylene. The resulting ACCA and NCCA aerogels exhibited low densities of 0.094 g cm-3 and 0.077 g cm-3, respectively, coupled with high porosity ranging between 95 and 96%. During the ethylene adsorption test, NCCA exhibited superior ethylene removal rates (~14.88-16.77 mL kg-1) compared to ACCA (~13.57-14.97 mL kg-1). Specifically, NCCA achieved a removal efficiency of 83.86% compared to 74.64% for ACCA. Kinetic model fitting yielded high R2 values ranging from 0.97 to 0.98 with the Lagergren kinetic model. These findings suggest the potential of composite aerogels to be incorporated into food packaging materials for dynamic ethylene capture, independent of environmental conditions, thereby providing promising routes for further development.
这项研究涉及使用活性炭(AC)和纳米纤维素(NC)生产气凝胶。通过将活性炭和纳米纤维素分别与相同比例的交联生物聚合物(羟丙基甲基纤维素(HPMC)、甲基纤维素(MC)和壳聚糖(C))混合,制备了两种不同结构的复合材料,即活性炭复合气凝胶(ACCA)和纳米纤维素复合气凝胶(NCCA)。通过批量实验对这些气凝胶吸附乙烯气体的能力进行了评估,同时对其物理和化学特性进行了全面检查,以确定其去除乙烯的可行性。结果表明,ACCA 和 NCCA 气凝胶的密度分别为 0.094 g cm-3 和 0.077 g cm-3,而且孔隙率在 95% 和 96% 之间。在乙烯吸附测试中,NCCA 的乙烯去除率(约 14.88-16.77 mL kg-1)优于 ACCA(约 13.57-14.97 mL kg-1)。具体而言,NCCA 的去除率为 83.86%,而 ACCA 为 74.64%。采用 Lagergren 动力学模型进行动力学模型拟合,得到了 0.97 至 0.98 的高 R2 值。这些研究结果表明,复合气凝胶具有在食品包装材料中进行动态乙烯捕获的潜力,不受环境条件的影响,从而为进一步开发提供了广阔的前景。
{"title":"Creation of Composite Aerogels Consisting of Activated Carbon and Nanocellulose Blended with Cross-Linked Biopolymers: Application as Ethylene Scavengers.","authors":"Asadullah, Kittaporn Ngiwngam, Jaejoon Han, Pornchai Rachtanapun, Rafael Auras, Thomas Karbowiak, Duangjai Noiwan, Masubon Thongngam, Wirongrong Tongdeesoontorn","doi":"10.3390/polym16213081","DOIUrl":"10.3390/polym16213081","url":null,"abstract":"<p><p>This study involved producing aerogels using activated carbon (AC) and nanocellulose (NC). Two distinct structured composites, AC composite aerogel (ACCA) and NC composite aerogel (NCCA), were developed by separately mixing AC and NC with identical proportions of cross-linked biopolymers: hydroxypropyl methylcellulose (HPMC), methylcellulose (MC), and chitosan (C). These aerogels were evaluated for their capability to adsorb ethylene gas through batch experiments, while the physical and chemical characteristics were thoroughly examined to determine their feasibility of removing ethylene. The resulting ACCA and NCCA aerogels exhibited low densities of 0.094 g cm<sup>-3</sup> and 0.077 g cm<sup>-3</sup>, respectively, coupled with high porosity ranging between 95 and 96%. During the ethylene adsorption test, NCCA exhibited superior ethylene removal rates (~14.88-16.77 mL kg<sup>-1</sup>) compared to ACCA (~13.57-14.97 mL kg<sup>-1</sup>). Specifically, NCCA achieved a removal efficiency of 83.86% compared to 74.64% for ACCA. Kinetic model fitting yielded high R<sup>2</sup> values ranging from 0.97 to 0.98 with the Lagergren kinetic model. These findings suggest the potential of composite aerogels to be incorporated into food packaging materials for dynamic ethylene capture, independent of environmental conditions, thereby providing promising routes for further development.</p>","PeriodicalId":20416,"journal":{"name":"Polymers","volume":"16 21","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11548458/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142626862","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zhilian Ji, Zhibin Wang, Lei Feng, Peikai He, Song Li
High-Content Crumb Rubber Asphalt (HCRA) binder improves road performance and address waste tyre pollution, yet its ageing behaviour is not fully understood. In this study, 70# neat asphalt binder and HCRA with rubber contents of 35% and 50% were selected and aged through the Thin Film Oven Test (TFOT) and Pressure Ageing Vessel (PAV) tests. FTIR (Fourier Transform Infrared Spectroscopy) and DSR (Dynamic Shear Rheometer) were employed to investigate their chemical composition and rheological properties. The FTIR results show that HCRA's chemical test results are similar to those of 70#, but HCRA is more susceptible to ageing. I(C=C) strength decreases with age. The DSR results show that HCRA outperforms 70# neat asphalt binder in terms of viscoelasticity, high temperature performance and fatigue resistance, and exhibits greater resistance to ageing. The ageing index (AI) was obtained through a calculation using the formula, and overall, 70# neat asphalt binder is more sensitive to ageing behaviour and less resistant to ageing, and HCRA is particularly outstanding for fatigue resistance. A strong correlation is observed between chemical composition and some rheological property indicators. Therefore, we are able to predict the rheological properties using chemical composition indicators. This study provides insight into the ageing behaviour of a neat asphalt binder and an HCRA binder and demonstrates that the HCRA binder outperforms conventional asphalt in several performance areas. It also provides theoretical support for the consumption of waste tyres to prepare high content crumb rubber asphalt.
{"title":"Chemical and Rheological Evaluation of the Ageing Behaviour of High-Content Crumb Rubber Asphalt Binder.","authors":"Zhilian Ji, Zhibin Wang, Lei Feng, Peikai He, Song Li","doi":"10.3390/polym16213088","DOIUrl":"10.3390/polym16213088","url":null,"abstract":"<p><p>High-Content Crumb Rubber Asphalt (HCRA) binder improves road performance and address waste tyre pollution, yet its ageing behaviour is not fully understood. In this study, 70# neat asphalt binder and HCRA with rubber contents of 35% and 50% were selected and aged through the Thin Film Oven Test (TFOT) and Pressure Ageing Vessel (PAV) tests. FTIR (Fourier Transform Infrared Spectroscopy) and DSR (Dynamic Shear Rheometer) were employed to investigate their chemical composition and rheological properties. The FTIR results show that HCRA's chemical test results are similar to those of 70#, but HCRA is more susceptible to ageing. I(C=C) strength decreases with age. The DSR results show that HCRA outperforms 70# neat asphalt binder in terms of viscoelasticity, high temperature performance and fatigue resistance, and exhibits greater resistance to ageing. The ageing index (AI) was obtained through a calculation using the formula, and overall, 70# neat asphalt binder is more sensitive to ageing behaviour and less resistant to ageing, and HCRA is particularly outstanding for fatigue resistance. A strong correlation is observed between chemical composition and some rheological property indicators. Therefore, we are able to predict the rheological properties using chemical composition indicators. This study provides insight into the ageing behaviour of a neat asphalt binder and an HCRA binder and demonstrates that the HCRA binder outperforms conventional asphalt in several performance areas. It also provides theoretical support for the consumption of waste tyres to prepare high content crumb rubber asphalt.</p>","PeriodicalId":20416,"journal":{"name":"Polymers","volume":"16 21","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11548150/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142626812","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Agus Rusdin, Muchtaridi Muchtaridi, Sandra Megantara, Yoga Windhu Wardhana, Taufik Muhammad Fakih, Arif Budiman
Background: Alpha mangostin (AM) has demonstrated significant potential as an anticancer agent, owing to its potent bioactivity. However, its clinical application is limited by poor solubility, which hampers its bioavailability and effectiveness. Amorphous solid dispersion (ASD) presents a promising technique to enhance the solubility and stability of AM. Molecular dynamics simulation offers a rapid, efficient, and precise method to evaluate and optimize ASD formulations before production.
Aim of study: In this study, we conducted molecular dynamics simulations to explore the ASD development of AM with poloxamer and pullulan.
Result: Our results revealed that AM-poloxamer complexes exhibit superior interaction characteristics compared to AM-pullulan, with a 1:5 ratio of AM to poloxamer and a cooling rate of 1 °C/ns demonstrating the most favorable outcomes. This combination showed enhanced hydrogen bonding, a more compact molecular structure, and higher stability, making it the optimal choice for ASD formulation.
Conclusion: The integration of molecular dynamics simulation into ASD development significantly accelerates the formulation process and provides critical insights into achieving a stable and effective AM dispersion. The AM-poloxamer complex, particularly at a 1:5 ratio with a 1 °C/ns cooling rate, offers the best potential for improving AM solubility and therapeutic efficacy.
背景:α-芒柄菌素(AM)因其强大的生物活性而被证明具有抗癌的巨大潜力。然而,由于其溶解性较差,影响了其生物利用度和有效性,其临床应用受到了限制。无定形固体分散体(ASD)是提高 AM 溶解性和稳定性的一种有前途的技术。分子动力学模拟为在生产前评估和优化 ASD 配方提供了一种快速、高效和精确的方法:在这项研究中,我们进行了分子动力学模拟,以探索 AM 与聚氧乙烯和拉鲁兰的 ASD 开发:结果:我们的研究结果表明,AM-聚氧乙烯-聚氧丙烯复合物的相互作用特性优于AM-普鲁兰,其中AM与聚氧乙烯的比例为1:5,冷却速度为1 °C/ns,结果最为理想。这种组合显示出更强的氢键作用、更紧凑的分子结构和更高的稳定性,使其成为 ASD 配方的最佳选择:结论:将分子动力学模拟整合到 ASD 开发中可大大加快配方过程,并为实现稳定有效的 AM 分散提供重要见解。AM-poloxamer复合物,尤其是1:5的比例和1 °C/ns的冷却速度,最有可能提高AM的溶解度和疗效。
{"title":"The Excellent Chemical Interaction Properties of Poloxamer and Pullulan with Alpha Mangostin on Amorphous Solid Dispersion System: Molecular Dynamics Simulation.","authors":"Agus Rusdin, Muchtaridi Muchtaridi, Sandra Megantara, Yoga Windhu Wardhana, Taufik Muhammad Fakih, Arif Budiman","doi":"10.3390/polym16213065","DOIUrl":"10.3390/polym16213065","url":null,"abstract":"<p><strong>Background: </strong>Alpha mangostin (AM) has demonstrated significant potential as an anticancer agent, owing to its potent bioactivity. However, its clinical application is limited by poor solubility, which hampers its bioavailability and effectiveness. Amorphous solid dispersion (ASD) presents a promising technique to enhance the solubility and stability of AM. Molecular dynamics simulation offers a rapid, efficient, and precise method to evaluate and optimize ASD formulations before production.</p><p><strong>Aim of study: </strong>In this study, we conducted molecular dynamics simulations to explore the ASD development of AM with poloxamer and pullulan.</p><p><strong>Result: </strong>Our results revealed that AM-poloxamer complexes exhibit superior interaction characteristics compared to AM-pullulan, with a 1:5 ratio of AM to poloxamer and a cooling rate of 1 °C/ns demonstrating the most favorable outcomes. This combination showed enhanced hydrogen bonding, a more compact molecular structure, and higher stability, making it the optimal choice for ASD formulation.</p><p><strong>Conclusion: </strong>The integration of molecular dynamics simulation into ASD development significantly accelerates the formulation process and provides critical insights into achieving a stable and effective AM dispersion. The AM-poloxamer complex, particularly at a 1:5 ratio with a 1 °C/ns cooling rate, offers the best potential for improving AM solubility and therapeutic efficacy.</p>","PeriodicalId":20416,"journal":{"name":"Polymers","volume":"16 21","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11548161/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142626856","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Cynthia L Barrera-Martínez, Héctor I Meléndez-Ortiz, Felipe Padilla-Vaca, Leonard I Atanase, René D Peralta-Rodríguez, Ioannis Liakos
Biopolymer chitosan sub-micron particles (CSMPs) were prepared by the ionic gelation technique crosslinked with sodium tripolyphosphate co-loaded with trans-cinnamaldehyde (TCIN), and either curcumin (CUR) or paclitaxel (PTX). The size of the spherical CSMPs increased from 118 nm to 136 nm and 170 nm after the loading of TCIN and CUR, whereas the loading of PTX led to a slight decrease (114 nm). Polydispersity indexes of all the samples were smaller than 0.4, indicating monodisperse particles. Zeta potential values higher than +40 mV were determined, which is direct proof of the high stability of these nanoparticles. TCIN and PTX release studies in vitro, at pH 6.5 and 7.4, showed a pH dependence on the release rate with a higher value at pH 6.5. However, CUR was not released from CSMPs probably due to strong interactions with CS biopolymer chains. Cytotoxicity studies showed that the systems loaded with TCIN and PTX were more cytotoxic for HeLa cancer cells than for MDCK cells. Moreover, a synergistic effect against HeLa cells was observed for the TCIN-PTX-loaded CSMP samples. The Sensitivity Index indicated that the CSMPs loaded with TCIN have a prospective attraction to carry and release conventional or new chemotherapeutic drugs. This study demonstrates the in vitro efficiency of the obtained drug delivery system, but in vivo studies are necessary to confirm its potential for clinical applications.
{"title":"Dual Loading of Trans-Cinnamaldehyde and Either Paclitaxel or Curcumin in Chitosan Nanoparticles: Physicochemical Characterization and Biological Evaluation Against MDCK and HeLa Cells.","authors":"Cynthia L Barrera-Martínez, Héctor I Meléndez-Ortiz, Felipe Padilla-Vaca, Leonard I Atanase, René D Peralta-Rodríguez, Ioannis Liakos","doi":"10.3390/polym16213087","DOIUrl":"10.3390/polym16213087","url":null,"abstract":"<p><p>Biopolymer chitosan sub-micron particles (CSMPs) were prepared by the ionic gelation technique crosslinked with sodium tripolyphosphate co-loaded with trans-cinnamaldehyde (TCIN), and either curcumin (CUR) or paclitaxel (PTX). The size of the spherical CSMPs increased from 118 nm to 136 nm and 170 nm after the loading of TCIN and CUR, whereas the loading of PTX led to a slight decrease (114 nm). Polydispersity indexes of all the samples were smaller than 0.4, indicating monodisperse particles. Zeta potential values higher than +40 mV were determined, which is direct proof of the high stability of these nanoparticles. TCIN and PTX release studies in vitro, at pH 6.5 and 7.4, showed a pH dependence on the release rate with a higher value at pH 6.5. However, CUR was not released from CSMPs probably due to strong interactions with CS biopolymer chains. Cytotoxicity studies showed that the systems loaded with TCIN and PTX were more cytotoxic for HeLa cancer cells than for MDCK cells. Moreover, a synergistic effect against HeLa cells was observed for the TCIN-PTX-loaded CSMP samples. The Sensitivity Index indicated that the CSMPs loaded with TCIN have a prospective attraction to carry and release conventional or new chemotherapeutic drugs. This study demonstrates the in vitro efficiency of the obtained drug delivery system, but in vivo studies are necessary to confirm its potential for clinical applications.</p>","PeriodicalId":20416,"journal":{"name":"Polymers","volume":"16 21","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11548620/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142626962","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Polysulfone (Psf) ultrafiltration flat-sheet membranes were modified with hydroxyapatite (HA) powder during preparation using the wet-phase inversion method. HA was incorporated to enhance the protein separation capabilities. The asymmetric Psf membranes were synthesized using NMP as the solvent. Through Scanning Electron Microscopy (SEM) analysis, it was revealed that HA was distributed across the membrane. Incorporating HA led to higher flux, the improved rejection of protein, and enhanced surface hydrophilicity. The permeability flux increased with HA concentration, peaking at 0.3 wt.%, resulting in a 38% improvement to 65 LMH/bar. Whey protein separation was evaluated using the model proteins BSA and lysozyme, representing α-Lactalbumin. The results of protein rejection for the blend membranes indicated that the rejection rates for BSA and lysozyme increased to 97.2% and 73%, respectively. Both the native and blend membranes showed similar BSA rejection rates; however, the blend membranes demonstrated better performance in lysozyme separation, indicating superior selectivity compared to native membranes. The modified membranes exhibited improved hydrophilicity, with water contact angles decreasing from 66° to 53°, alongside improved antifouling properties, indicated by a lower flux decline ratio value. This simple and economical modification method enhances permeability without sacrificing separation efficiency, hence facilitating the scalability of membrane production in the whey protein separation industry.
采用湿相反转法制备聚砜(Psf)超滤平板膜时,用羟基磷灰石(HA)粉末对其进行了改性。加入 HA 是为了提高蛋白质的分离能力。以 NMP 为溶剂合成了不对称 Psf 膜。通过扫描电子显微镜(SEM)分析发现,HA 分布在整个膜上。加入 HA 可提高通量,改善对蛋白质的排斥,并增强表面亲水性。渗透通量随着 HA 浓度的增加而增加,在 0.3 wt.% 时达到峰值,使通量提高了 38%,达到 65 LMH/bar。使用代表 α-Lactalbumin 的模型蛋白质 BSA 和溶菌酶对乳清蛋白分离进行了评估。混合膜的蛋白质剔除结果表明,BSA 和溶菌酶的剔除率分别提高到 97.2% 和 73%。原生膜和混合膜都显示出相似的 BSA 排斥率;然而,混合膜在溶菌酶分离方面表现更好,表明其选择性优于原生膜。改性膜的亲水性得到了改善,水接触角从 66°降至 53°,同时防污性能也得到了改善,这体现在较低的通量下降比值上。这种简单而经济的改性方法在不牺牲分离效率的情况下提高了渗透性,从而促进了乳清蛋白分离行业膜生产的可扩展性。
{"title":"Study of Polysulfone-Impregnated Hydroxyapatite for Ultrafiltration in Whey Protein Separation.","authors":"Tutik Sriani, Muslim Mahardika, Budi Arifvianto, Farazila Yusof, Yudan Whulanza, Gunawan Setia Prihandana, Ario Sunar Baskoro","doi":"10.3390/polym16213079","DOIUrl":"10.3390/polym16213079","url":null,"abstract":"<p><p>Polysulfone (Psf) ultrafiltration flat-sheet membranes were modified with hydroxyapatite (HA) powder during preparation using the wet-phase inversion method. HA was incorporated to enhance the protein separation capabilities. The asymmetric Psf membranes were synthesized using NMP as the solvent. Through Scanning Electron Microscopy (SEM) analysis, it was revealed that HA was distributed across the membrane. Incorporating HA led to higher flux, the improved rejection of protein, and enhanced surface hydrophilicity. The permeability flux increased with HA concentration, peaking at 0.3 wt.%, resulting in a 38% improvement to 65 LMH/bar. Whey protein separation was evaluated using the model proteins BSA and lysozyme, representing α-Lactalbumin. The results of protein rejection for the blend membranes indicated that the rejection rates for BSA and lysozyme increased to 97.2% and 73%, respectively. Both the native and blend membranes showed similar BSA rejection rates; however, the blend membranes demonstrated better performance in lysozyme separation, indicating superior selectivity compared to native membranes. The modified membranes exhibited improved hydrophilicity, with water contact angles decreasing from 66° to 53°, alongside improved antifouling properties, indicated by a lower flux decline ratio value. This simple and economical modification method enhances permeability without sacrificing separation efficiency, hence facilitating the scalability of membrane production in the whey protein separation industry.</p>","PeriodicalId":20416,"journal":{"name":"Polymers","volume":"16 21","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11548170/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142626750","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Mohd Shoeb, Fouzia Mashkoor, Mohmmad Naved Khan, Changyoon Jeong
Effective wastewater treatment remains a critical challenge, especially when dealing with hazardous pollutants like antimony (Sb(III)). This study addresses this issue by using innovative nanocomposites to remove Sb(III) ions from water, while simultaneously repurposing the spent adsorbents for energy storage applications. We developed reduced graphene oxide-NiFe2O3-SiO2-polyindole nanocomposites (RGO-NiFe2O3-SiO2-PIn NCs) via a hydrothermal synthesis method, achieving a high removal efficiency of 91.84% for Sb(III) ions at an initial concentration of 50 mg/L at pH 8. After adsorption, the exhausted adsorbent was repurposed for energy storage, effectively minimizing secondary pollution. The Sb(III)-loaded adsorbent (RGO-NiFe2O3-SiO2-PIn@SbOx) exhibited excellent performance as an energy storage material, with a specific capacitance (Cs) of 701.36 F/g at a current density of 2 A/g and a retention rate of 80.15% after 10,000 cycles. This dual-purpose approach not only advances wastewater treatment technologies but also contributes to sustainable and economical recycling practices, particularly in the field of energy storage.
{"title":"Polyindole-Functionalized RGO-NiFe<sub>2</sub>O<sub>4</sub>-SiO<sub>2</sub> Nanocomposite: A Dual-Functional Nanomaterial for Efficient Antimony Adsorption and Subsequent Application in Supercapacitor.","authors":"Mohd Shoeb, Fouzia Mashkoor, Mohmmad Naved Khan, Changyoon Jeong","doi":"10.3390/polym16213084","DOIUrl":"10.3390/polym16213084","url":null,"abstract":"<p><p>Effective wastewater treatment remains a critical challenge, especially when dealing with hazardous pollutants like antimony (Sb(III)). This study addresses this issue by using innovative nanocomposites to remove Sb(III) ions from water, while simultaneously repurposing the spent adsorbents for energy storage applications. We developed reduced graphene oxide-NiFe<sub>2</sub>O<sub>3</sub>-SiO<sub>2</sub>-polyindole nanocomposites (RGO-NiFe<sub>2</sub>O<sub>3</sub>-SiO<sub>2</sub>-PIn NCs) via a hydrothermal synthesis method, achieving a high removal efficiency of 91.84% for Sb(III) ions at an initial concentration of 50 mg/L at pH 8. After adsorption, the exhausted adsorbent was repurposed for energy storage, effectively minimizing secondary pollution. The Sb(III)-loaded adsorbent (RGO-NiFe<sub>2</sub>O<sub>3</sub>-SiO<sub>2</sub>-PIn@SbO<sub>x</sub>) exhibited excellent performance as an energy storage material, with a specific capacitance (C<sub>s</sub>) of 701.36 F/g at a current density of 2 A/g and a retention rate of 80.15% after 10,000 cycles. This dual-purpose approach not only advances wastewater treatment technologies but also contributes to sustainable and economical recycling practices, particularly in the field of energy storage.</p>","PeriodicalId":20416,"journal":{"name":"Polymers","volume":"16 21","pages":""},"PeriodicalIF":4.7,"publicationDate":"2024-10-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11548570/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142626693","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}