Pub Date : 2024-09-13DOI: 10.3390/molecules29184357
André Mesquita Marques, Lavinia de Carvalho Brito, Simony Carvalho Mendonça, Brendo Araujo Gomes, Flávia da Cunha Camillo, Gustavo Werneck de Souza e Silva, André Luiz Franco Sampaio, Suzana Guimarães Leitão, Maria Raquel Figueiredo
Background: Athenaea fasciculata, a Brazilian native species from the Solanaceae family, is recognized as a promising source of bioactive withanolides, particularly Aurelianolide A and B, which exhibit significant antitumoral activities. Despite its potential, research on the chemical constituents of this species remains limited. This study aimed to dereplicate extracts and partitions of A. fasciculata to streamline the discovery of bioactive withanolides. Methods: Using ultra-high-performance liquid chromatography–tandem mass spectrometry (UHPLC-MS/MS), various extracts—including n-hexane, methanol, and ethanol—were analyzed, and their mass spectrometry data were processed through the GNPS platform for the generation of molecular networking. The results indicated that crude extracts displayed comparable cytotoxicity against Jurkat cells, by treatment at 150 µg/mL, while alcoholic extracts achieved approximately 80% inhibition of K562 cells and K562-Lucena 1 at the same concentration. Notably, the dichloromethane partition exhibited the highest cytotoxicity across leukemia cell lines, particularly against Jurkat cells (IC50 = 14.34 µg/mL). A total of 22 compounds were annotated by manual inspection and different libraries, with six of them demonstrating significant cytotoxic effects. Conclusions: This research underscores the therapeutic potential of A. fasciculata and highlights the effectiveness of integrating advanced analytical methods in drug discovery, paving the way for further exploration of its bioactive compounds.
{"title":"An Integrated Strategy of UHPLC-ESI-MS/MS Combined with Bioactivity-Based Molecular Networking for Identification of Antitumoral Withanolides from Athenaea fasciculata (Vell.) I.M.C. Rodrigues & Stehmann","authors":"André Mesquita Marques, Lavinia de Carvalho Brito, Simony Carvalho Mendonça, Brendo Araujo Gomes, Flávia da Cunha Camillo, Gustavo Werneck de Souza e Silva, André Luiz Franco Sampaio, Suzana Guimarães Leitão, Maria Raquel Figueiredo","doi":"10.3390/molecules29184357","DOIUrl":"https://doi.org/10.3390/molecules29184357","url":null,"abstract":"Background: Athenaea fasciculata, a Brazilian native species from the Solanaceae family, is recognized as a promising source of bioactive withanolides, particularly Aurelianolide A and B, which exhibit significant antitumoral activities. Despite its potential, research on the chemical constituents of this species remains limited. This study aimed to dereplicate extracts and partitions of A. fasciculata to streamline the discovery of bioactive withanolides. Methods: Using ultra-high-performance liquid chromatography–tandem mass spectrometry (UHPLC-MS/MS), various extracts—including n-hexane, methanol, and ethanol—were analyzed, and their mass spectrometry data were processed through the GNPS platform for the generation of molecular networking. The results indicated that crude extracts displayed comparable cytotoxicity against Jurkat cells, by treatment at 150 µg/mL, while alcoholic extracts achieved approximately 80% inhibition of K562 cells and K562-Lucena 1 at the same concentration. Notably, the dichloromethane partition exhibited the highest cytotoxicity across leukemia cell lines, particularly against Jurkat cells (IC50 = 14.34 µg/mL). A total of 22 compounds were annotated by manual inspection and different libraries, with six of them demonstrating significant cytotoxic effects. Conclusions: This research underscores the therapeutic potential of A. fasciculata and highlights the effectiveness of integrating advanced analytical methods in drug discovery, paving the way for further exploration of its bioactive compounds.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.6,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142215693","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A series of CO2-based thermoplastic polyurethanes (TPUs) were prepared using CO2-based poly(polycarbonate) diol (PPCDL), 4,4′-methylenebis (cyclohexyl isocyanate) (HMDI), and polypropylene glycol (PPG and 1,4-butanediol (BDO) as the raw materials. The mechanical, thermal, optical, and barrier properties shape memory behaviors, while biocompatibility and degradation behaviors of the CO2-based TPUs are also systematically investigated. All the synthesized TPUs are highly transparent amorphous polymers, with one glass transition temperature at ~15–45 °C varying with hard segment content and soft segment composition. When PPG is incorporated into the soft segments, the resultant TPUs exhibit excellent self-healing and shape memory performances with the average shape fixity ratio and shape recovery ratio as high as 98.9% and 88.3%, respectively. Furthermore, the CO2-based TPUs also show superior water vapor permeability resistance, good biocompatibility, and good biodegradation properties, demonstrating their pretty competitive potential in the polyurethane industry applications.
{"title":"Self-Healable, Transparent, Biodegradable, and Shape Memorable Polyurethanes Derived from Carbon Dioxide-Based Diols","authors":"Xin Huang, TingTing Zhao, ShuanJin Wang, Dongmei Han, Sheng Huang, Hui Guo, Min Xiao, Yuezhong Meng","doi":"10.3390/molecules29184364","DOIUrl":"https://doi.org/10.3390/molecules29184364","url":null,"abstract":"A series of CO2-based thermoplastic polyurethanes (TPUs) were prepared using CO2-based poly(polycarbonate) diol (PPCDL), 4,4′-methylenebis (cyclohexyl isocyanate) (HMDI), and polypropylene glycol (PPG and 1,4-butanediol (BDO) as the raw materials. The mechanical, thermal, optical, and barrier properties shape memory behaviors, while biocompatibility and degradation behaviors of the CO2-based TPUs are also systematically investigated. All the synthesized TPUs are highly transparent amorphous polymers, with one glass transition temperature at ~15–45 °C varying with hard segment content and soft segment composition. When PPG is incorporated into the soft segments, the resultant TPUs exhibit excellent self-healing and shape memory performances with the average shape fixity ratio and shape recovery ratio as high as 98.9% and 88.3%, respectively. Furthermore, the CO2-based TPUs also show superior water vapor permeability resistance, good biocompatibility, and good biodegradation properties, demonstrating their pretty competitive potential in the polyurethane industry applications.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.6,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142215487","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Two-dimensional (2D) polarized heterostructures with internal electric fields are potential photocatalysts for high catalytic performance. The Blue P/SiS van der Waals heterostructures were formed from monolayer Blue P and polar monolayer SiS with different stacking interfaces, including Si-P and P-S interfaces. The structural, electronic, optical and photocatalytic properties of the Blue P/SiS heterostructures were studied via first-principle calculations. The results showed that the Si-P-2 or P-S-4 stacking order contributes to the most stable heterostructure with the Si-P or P-S interface. The direction of the internal electric field is from the 001 surface toward the 001¯ surface, which is helpful for separating photo-generated electron–hole pairs. The bandgap and electrostatic potential differences in the Si-P-2(P-S-4) heterostructures are 1.74 eV (2.30 eV) and 0.287 eV (0.181 eV), respectively. Moreover, the Si-P-2(P-S-4) heterostructures possess suitable band alignment and wide ultraviolet and visible light spectrum regions. All results suggest that 2D polarized Blue P/SiS heterostructures are potential novel photocatalysts for water splitting under a wide ultraviolet and visible light spectrum region.
{"title":"Two-Dimensional Polarized Blue P/SiS Heterostructures as Promising Photocatalysts for Water Splitting","authors":"Yin Liu, Di Gu, Xiaoma Tao, Yifang Ouyang, Chunyan Duan, Guangxing Liang","doi":"10.3390/molecules29184355","DOIUrl":"https://doi.org/10.3390/molecules29184355","url":null,"abstract":"Two-dimensional (2D) polarized heterostructures with internal electric fields are potential photocatalysts for high catalytic performance. The Blue P/SiS van der Waals heterostructures were formed from monolayer Blue P and polar monolayer SiS with different stacking interfaces, including Si-P and P-S interfaces. The structural, electronic, optical and photocatalytic properties of the Blue P/SiS heterostructures were studied via first-principle calculations. The results showed that the Si-P-2 or P-S-4 stacking order contributes to the most stable heterostructure with the Si-P or P-S interface. The direction of the internal electric field is from the 001 surface toward the 001¯ surface, which is helpful for separating photo-generated electron–hole pairs. The bandgap and electrostatic potential differences in the Si-P-2(P-S-4) heterostructures are 1.74 eV (2.30 eV) and 0.287 eV (0.181 eV), respectively. Moreover, the Si-P-2(P-S-4) heterostructures possess suitable band alignment and wide ultraviolet and visible light spectrum regions. All results suggest that 2D polarized Blue P/SiS heterostructures are potential novel photocatalysts for water splitting under a wide ultraviolet and visible light spectrum region.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.6,"publicationDate":"2024-09-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142226824","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.3390/molecules29184302
Mati Ullah, Yutong Xia, Dalal Sulaiman Alshaya, Jianda Han, Kotb A. Attia, Tawaf Ali Shah, Huayou Chen
Chitin is the second most prevalent polysaccharide found in nature, following cellulose. Amino-oligosaccharides, the byproducts of chitin degradation, exhibit favorable biological properties and potential for various uses. Chitinases play a crucial function in the breakdown of chitin, and their exceptionally effective production has garnered significant interest. Here, in this study, the exochitinase PbChiA, obtained from Paenibacillus barengoltzii, was recombinantly produced and immobilized using the CotG surface protein of Bacillus subtilis WB800N. The resulting strain Bacillus subtilis WB800N pHS-CotG-Chi exhibited exceptional heat stability and efficacy across various pH levels. The chitinolytic activity of the enzyme, which had been isolated and immobilized on the spore surface, was measured to be approximately 16.06 U/mL. Including Ni2+, Zn+2, and K+, and EDTA at various concentration levels in the reaction system, has significantly enhanced the activity of the immobilized enzyme. The immobilized exochitinase demonstrated a notable rate of recycling, as the recombinant spores sustained a relative enzyme activity of more than 70% after three cycles and 62.7% after four cycles. These findings established a basis for additional investigation into the role and practical use of the immobilized bacterial exochitinase in industry.
{"title":"Display of Bacterial Exochitanase on Bacillus subtilis Spores Improved Enzyme Stability and Recyclability","authors":"Mati Ullah, Yutong Xia, Dalal Sulaiman Alshaya, Jianda Han, Kotb A. Attia, Tawaf Ali Shah, Huayou Chen","doi":"10.3390/molecules29184302","DOIUrl":"https://doi.org/10.3390/molecules29184302","url":null,"abstract":"Chitin is the second most prevalent polysaccharide found in nature, following cellulose. Amino-oligosaccharides, the byproducts of chitin degradation, exhibit favorable biological properties and potential for various uses. Chitinases play a crucial function in the breakdown of chitin, and their exceptionally effective production has garnered significant interest. Here, in this study, the exochitinase PbChiA, obtained from Paenibacillus barengoltzii, was recombinantly produced and immobilized using the CotG surface protein of Bacillus subtilis WB800N. The resulting strain Bacillus subtilis WB800N pHS-CotG-Chi exhibited exceptional heat stability and efficacy across various pH levels. The chitinolytic activity of the enzyme, which had been isolated and immobilized on the spore surface, was measured to be approximately 16.06 U/mL. Including Ni2+, Zn+2, and K+, and EDTA at various concentration levels in the reaction system, has significantly enhanced the activity of the immobilized enzyme. The immobilized exochitinase demonstrated a notable rate of recycling, as the recombinant spores sustained a relative enzyme activity of more than 70% after three cycles and 62.7% after four cycles. These findings established a basis for additional investigation into the role and practical use of the immobilized bacterial exochitinase in industry.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.6,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142215496","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.3390/molecules29184297
Lihong Shi, Xiang Zhou, Puying Qi
Bacterial virulence plays an important role in infection. Antibacterial virulence factors are effective for preventing crop bacterial diseases. Resin acid copper salt as an effective inhibitor exhibited excellent anti-Xanthomonas oryzae pv. oryzae (Xoo) activity with an EC50 of 50.0 μg mL−1. Resin acid copper salt (RACS) can reduce extracellular polysaccharides’ (EPS’s) biosynthesis by down-regulating gumB relative expression. RACS can also effectively inhibit the bio-mass of Xoo biofilm. It can reduce the activity of Xoo extracellular amylase at a concentration of 100 μg mL−1. Meanwhile, the results of virtual computing suggested that RACS is an enzyme inhibitor. RACS displayed good curative activity with a control effect of 38.5%. Furthermore, the result of the phytotoxicity assessment revealed that RACS exhibited slight toxicity compared with the control at a concentration of 200 μg mL−1. The curative effect was increased to 45.0% using an additional antimicrobial agent like orange peel essential oil. RACS markedly inhibited bacterial pathogenicity at a concentration of 100 μg mL−1 in vivo.
{"title":"Resin Acid Copper Salt, an Interesting Chemical Pesticide, Controls Rice Bacterial Leaf Blight by Regulating Bacterial Biofilm, Motility, and Extracellular Enzymes","authors":"Lihong Shi, Xiang Zhou, Puying Qi","doi":"10.3390/molecules29184297","DOIUrl":"https://doi.org/10.3390/molecules29184297","url":null,"abstract":"Bacterial virulence plays an important role in infection. Antibacterial virulence factors are effective for preventing crop bacterial diseases. Resin acid copper salt as an effective inhibitor exhibited excellent anti-Xanthomonas oryzae pv. oryzae (Xoo) activity with an EC50 of 50.0 μg mL−1. Resin acid copper salt (RACS) can reduce extracellular polysaccharides’ (EPS’s) biosynthesis by down-regulating gumB relative expression. RACS can also effectively inhibit the bio-mass of Xoo biofilm. It can reduce the activity of Xoo extracellular amylase at a concentration of 100 μg mL−1. Meanwhile, the results of virtual computing suggested that RACS is an enzyme inhibitor. RACS displayed good curative activity with a control effect of 38.5%. Furthermore, the result of the phytotoxicity assessment revealed that RACS exhibited slight toxicity compared with the control at a concentration of 200 μg mL−1. The curative effect was increased to 45.0% using an additional antimicrobial agent like orange peel essential oil. RACS markedly inhibited bacterial pathogenicity at a concentration of 100 μg mL−1 in vivo.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.6,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142215494","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.3390/molecules29184305
Lei Zhou, Enbo Qin, Hao Huang, Yuanyou Wang, Mingxin Li
Glycolysis of poly(ethylene terephthalate) (PET) is a prospective way for degradation of PET to its monomer bis(hydroxyethyl) terephthalate (BHET), providing the possibility for a permanent loop recycling. However, most reported glycolysis catalysts are homogeneous, making the catalyst difficult to recover and contaminating the products. Herein, we reported on the Pd-Cu/γ-Al2O3 catalyst and applied it in the glycolysis of PET as catalyst. The formed structure gave Pd-Cu/γ-Al2O3 a high active surface area, which enabled these micro-particles to work more efficiently. The PET conversion and BHET yield reached 99% and 86%, respectively, in the presence of 5 wt% of Pd-Cu/γ-Al2O3 catalyst within 80 min at 160 °C. After the reaction, the catalyst can be quickly separated by filtration, so it can be easily reused without significant loss of reactivity at least five times. Therefore, the Pd-Cu/γ-Al2O3 catalyst may contribute to an economically and environmentally improved large-scale recycling of PET fiber waste.
聚对苯二甲酸乙二酯（PET）的乙二醇化是将 PET 降解为其单体对苯二甲酸二（羟乙基）酯（BHET）的一种前景广阔的方法，为永久循环再利用提供了可能。然而，已报道的大多数乙二醇催化剂都是均相催化剂，这使得催化剂难以回收并污染产品。在此，我们报道了 Pd-Cu/γ-Al2O3 催化剂，并将其作为催化剂应用于 PET 的乙二醇分解。所形成的结构使 Pd-Cu/γ-Al2O3 具有较高的活性表面积，从而使这些微颗粒能更有效地发挥作用。在 5 wt% 的 Pd-Cu/γ-Al2O3 催化剂存在下，160 °C 下 80 分钟内 PET 转化率和 BHET 收率分别达到 99% 和 86%。反应结束后，催化剂可以通过过滤快速分离，因此可以很容易地重复使用，而不会明显丧失反应活性，至少可以重复使用五次。因此，Pd-Cu/γ-Al2O3 催化剂可为大规模回收 PET 纤维废料做出经济和环保方面的贡献。
{"title":"PET Glycolysis to BHET Efficiently Catalyzed by Stable and Recyclable Pd-Cu/γ-Al2O3","authors":"Lei Zhou, Enbo Qin, Hao Huang, Yuanyou Wang, Mingxin Li","doi":"10.3390/molecules29184305","DOIUrl":"https://doi.org/10.3390/molecules29184305","url":null,"abstract":"Glycolysis of poly(ethylene terephthalate) (PET) is a prospective way for degradation of PET to its monomer bis(hydroxyethyl) terephthalate (BHET), providing the possibility for a permanent loop recycling. However, most reported glycolysis catalysts are homogeneous, making the catalyst difficult to recover and contaminating the products. Herein, we reported on the Pd-Cu/γ-Al2O3 catalyst and applied it in the glycolysis of PET as catalyst. The formed structure gave Pd-Cu/γ-Al2O3 a high active surface area, which enabled these micro-particles to work more efficiently. The PET conversion and BHET yield reached 99% and 86%, respectively, in the presence of 5 wt% of Pd-Cu/γ-Al2O3 catalyst within 80 min at 160 °C. After the reaction, the catalyst can be quickly separated by filtration, so it can be easily reused without significant loss of reactivity at least five times. Therefore, the Pd-Cu/γ-Al2O3 catalyst may contribute to an economically and environmentally improved large-scale recycling of PET fiber waste.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.6,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142215495","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The ultrasound-assisted extraction conditions of Thesium chinense Turcz. crude polysaccharide (TTP) were optimized, and a TTP sample with a yield of 11.9% was obtained. TTP demonstrated the ability to stabilize high-internal-phase oil-in-water emulsions with an oil phase volume reaching up to 80%. Additionally, the emulsions stabilized by TTP were examined across different pH levels, ionic strengths, and temperatures. The results indicated that the emulsions stabilized by TTP exhibited stability over a wide pH range of 1–11. The emulsion remained stable under ionic strengths of 0–500 mM and temperatures of 4–55 °C. The microstructure of the emulsions was observed using confocal laser scanning microscopy, and the stabilization mechanism of the emulsion was hypothesized. Soluble polysaccharides formed a network structure in the continuous phase, and the insoluble polysaccharides dispersed in the continuous phase, acting as a bridge structure, which worked together to prevent oil droplet aggregation. This research was significant for developing a new food-grade emulsifier with a wide pH range of applicability.
优化了千层塔粗多糖（TTP）的超声辅助萃取条件，获得了收率为11.9%的TTP样品。TTP 能够稳定油相体积高达 80% 的高内相水包油乳液。此外，还在不同的 pH 值、离子强度和温度下对 TTP 稳定的乳液进行了检测。结果表明，经 TTP 稳定的乳液在 1-11 宽 pH 值范围内均表现出稳定性。在离子强度为 0-500 mM 和温度为 4-55 °C 时，乳液仍保持稳定。使用激光共聚焦扫描显微镜观察了乳液的微观结构，并假设了乳液的稳定机制。可溶性多糖在连续相中形成网络结构，而不溶性多糖分散在连续相中，起到桥梁结构的作用，共同防止油滴聚集。这项研究对于开发一种适用pH值范围广的新型食品级乳化剂具有重要意义。
{"title":"Wide pH, Adaptable High Internal Phase Pickering Emulsion Stabilized by a Crude Polysaccharide from Thesium chinense Turcz.","authors":"Borong Ling, Lijun Shao, Huicong Jiang, Shufang Wu","doi":"10.3390/molecules29184312","DOIUrl":"https://doi.org/10.3390/molecules29184312","url":null,"abstract":"The ultrasound-assisted extraction conditions of Thesium chinense Turcz. crude polysaccharide (TTP) were optimized, and a TTP sample with a yield of 11.9% was obtained. TTP demonstrated the ability to stabilize high-internal-phase oil-in-water emulsions with an oil phase volume reaching up to 80%. Additionally, the emulsions stabilized by TTP were examined across different pH levels, ionic strengths, and temperatures. The results indicated that the emulsions stabilized by TTP exhibited stability over a wide pH range of 1–11. The emulsion remained stable under ionic strengths of 0–500 mM and temperatures of 4–55 °C. The microstructure of the emulsions was observed using confocal laser scanning microscopy, and the stabilization mechanism of the emulsion was hypothesized. Soluble polysaccharides formed a network structure in the continuous phase, and the insoluble polysaccharides dispersed in the continuous phase, acting as a bridge structure, which worked together to prevent oil droplet aggregation. This research was significant for developing a new food-grade emulsifier with a wide pH range of applicability.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.6,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142215500","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-09-11DOI: 10.3390/molecules29184310
Jiale Li, Taoze Liu, Zhanghong Wang
This study synthesized biochar through a one-pot pyrolysis process using IALG as the raw material. The physicochemical properties of the resulting biochar (IALG-BC) were characterized and compared with those of biochar derived from acid-treated lignin with the ash component removed (A-IALG-BC). This study further investigated the adsorption performances and mechanisms of these two lignin-based biochars for Pb(II). The results revealed that the high ash content in IALG, primarily composed of Na, acts as an effective catalyst during pyrolysis, reducing the activation energy and promoting the development of the pore structure in the resulting biochar (IALG-BC). Moreover, after pyrolysis, Na-related minerals transformed into particulate matter sized between 80 and 150 nm, which served as active adsorption sites for the efficient immobilization of Pb(II). Adsorption results demonstrated that IALG-BC exhibited a significantly superior adsorption performance for Pb(II) compared to that of A-IALG-BC. The theoretical maximum adsorption capacity of IALG-BC for Pb(II), derived from the Langmuir model, was determined to be 809.09 mg/g, approximately 40 times that of A-IALG-BC. Additionally, the adsorption equilibrium for Pb(II) with IALG-BC was reached within approximately 0.5 h, whereas A-IALG-BC required more than 2 h. These findings demonstrate that the presence of inorganic mineral components in IALG plays a crucial role in its resource utilization.
{"title":"One-Pot Synthesis of Biochar from Industrial Alkali Lignin with Superior Pb(II) Immobilization Capability","authors":"Jiale Li, Taoze Liu, Zhanghong Wang","doi":"10.3390/molecules29184310","DOIUrl":"https://doi.org/10.3390/molecules29184310","url":null,"abstract":"This study synthesized biochar through a one-pot pyrolysis process using IALG as the raw material. The physicochemical properties of the resulting biochar (IALG-BC) were characterized and compared with those of biochar derived from acid-treated lignin with the ash component removed (A-IALG-BC). This study further investigated the adsorption performances and mechanisms of these two lignin-based biochars for Pb(II). The results revealed that the high ash content in IALG, primarily composed of Na, acts as an effective catalyst during pyrolysis, reducing the activation energy and promoting the development of the pore structure in the resulting biochar (IALG-BC). Moreover, after pyrolysis, Na-related minerals transformed into particulate matter sized between 80 and 150 nm, which served as active adsorption sites for the efficient immobilization of Pb(II). Adsorption results demonstrated that IALG-BC exhibited a significantly superior adsorption performance for Pb(II) compared to that of A-IALG-BC. The theoretical maximum adsorption capacity of IALG-BC for Pb(II), derived from the Langmuir model, was determined to be 809.09 mg/g, approximately 40 times that of A-IALG-BC. Additionally, the adsorption equilibrium for Pb(II) with IALG-BC was reached within approximately 0.5 h, whereas A-IALG-BC required more than 2 h. These findings demonstrate that the presence of inorganic mineral components in IALG plays a crucial role in its resource utilization.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.6,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142215526","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Water electrolysis has been recognized as a promising technology that can convert renewable energy into hydrogen for storage and utilization. The superior activity and low cost of catalysis are key factors in promoting the industrialization of water electrolysis. Single-atom catalysts (SACs) have attracted attention due to their ultra-high atomic utilization, clear structure, and highest hydrogen evolution reaction (HER) performance. In addition, the performance and stability of single-atom (SA) substrates are crucial, and various two-dimensional (2D) nanomaterial supports have become promising foundations for SA due to their unique exposed surfaces, diverse elemental compositions, and flexible electronic structures, to drive single atoms to reach performance limits. The SA supported by 2D nanomaterials exhibits various electronic interactions and synergistic effects, all of which need to be comprehensively summarized. This article aims to organize and discuss the progress of 2D nanomaterial single-atom supports in enhancing HER, including common and widely used synthesis methods, advanced characterization techniques, different types of 2D supports, and the correlation between structural hydrogen evolution performance. Finally, the latest understanding of 2D nanomaterial supports was proposed.
水电解已被公认为是一种前景广阔的技术，它可以将可再生能源转化为氢气并加以储存和利用。催化剂的高活性和低成本是促进水电解工业化的关键因素。单原子催化剂（SAC）因其超高的原子利用率、清晰的结构和最高的氢进化反应（HER）性能而备受关注。此外，单原子（SA）基底的性能和稳定性也至关重要，而各种二维（2D）纳米材料支撑物因其独特的裸露表面、多样的元素组成和灵活的电子结构而成为单原子催化剂的良好基础，可推动单原子达到性能极限。二维纳米材料支撑的 SA 表现出各种电子相互作用和协同效应，所有这些都需要全面总结。本文旨在整理和讨论二维纳米材料单原子支撑在提高氢氧根效率方面的进展，包括常见和广泛应用的合成方法、先进的表征技术、不同类型的二维支撑以及结构氢演化性能之间的相关性。最后，提出了对二维纳米材料支撑的最新认识。
{"title":"Recent Advances on Two-Dimensional Nanomaterials Supported Single-Atom for Hydrogen Evolution Electrocatalysts","authors":"Kangkai Fu, Douke Yuan, Ting Yu, Chaojun Lei, Zhenhui Kou, Bingfeng Huang, Siliu Lyu, Feng Zhang, Tongtao Wan","doi":"10.3390/molecules29184304","DOIUrl":"https://doi.org/10.3390/molecules29184304","url":null,"abstract":"Water electrolysis has been recognized as a promising technology that can convert renewable energy into hydrogen for storage and utilization. The superior activity and low cost of catalysis are key factors in promoting the industrialization of water electrolysis. Single-atom catalysts (SACs) have attracted attention due to their ultra-high atomic utilization, clear structure, and highest hydrogen evolution reaction (HER) performance. In addition, the performance and stability of single-atom (SA) substrates are crucial, and various two-dimensional (2D) nanomaterial supports have become promising foundations for SA due to their unique exposed surfaces, diverse elemental compositions, and flexible electronic structures, to drive single atoms to reach performance limits. The SA supported by 2D nanomaterials exhibits various electronic interactions and synergistic effects, all of which need to be comprehensively summarized. This article aims to organize and discuss the progress of 2D nanomaterial single-atom supports in enhancing HER, including common and widely used synthesis methods, advanced characterization techniques, different types of 2D supports, and the correlation between structural hydrogen evolution performance. Finally, the latest understanding of 2D nanomaterial supports was proposed.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.6,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142215493","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
A new class of biologics is obtained using the technologically processed of antibodies (TPA), which are used as the initial substance, and their dilution at each stage is accompanied by a controlled external vibrational (mechanical) treatment. This article focuses on the development and validation of a novel technique that can be applied for assessing the identity of TPA-based drugs. It has previously been found that after such treatment, the resulting solution either acquired new properties that were not present in the initial substance or a quantitative change in properties compared to the initial substance was observed. The use of mechanical treatment during the manufacture of the TPA-based drugs can cause the formation of new bonds between the solvent and antibody molecules. These changes manifest themselves in altered adsorption at the surface of the test solutions, which results in the formation of a near-surface film. One of the indicators of such events is the change in the surface temperature of the solution, which can be analyzed using high-resolution thermography. Unlike other methods, the high-resolution thermography allows the near-surface layer of a heterogeneous aqueous solution to be clearly visualized and quantified. A number of experiments were performed: seven replicates of sample preparations were tested; the influence of factors “day” or “operator” was investigated during 12 days of testing by two operators. The method also allowed us to distinguish between technologically processed antibodies and samples containing technologically processed buffer. The thermographic analysis has proven to be a simple, specific, and reproducible technique that can be used to analyze the identity of TPA-based drugs, regardless of the dosage form tested.
{"title":"Application of High-Resolution Infrared Thermography to Study the Effects of Technologically Processed Antibodies on the Near-Surface Layer of Aqueous Solutions","authors":"Elena Don, Evgenii Zubkov, Ekaterina Moroshkina, Irina Molodtsova, Anastasia Petrova, Sergey Tarasov","doi":"10.3390/molecules29184309","DOIUrl":"https://doi.org/10.3390/molecules29184309","url":null,"abstract":"A new class of biologics is obtained using the technologically processed of antibodies (TPA), which are used as the initial substance, and their dilution at each stage is accompanied by a controlled external vibrational (mechanical) treatment. This article focuses on the development and validation of a novel technique that can be applied for assessing the identity of TPA-based drugs. It has previously been found that after such treatment, the resulting solution either acquired new properties that were not present in the initial substance or a quantitative change in properties compared to the initial substance was observed. The use of mechanical treatment during the manufacture of the TPA-based drugs can cause the formation of new bonds between the solvent and antibody molecules. These changes manifest themselves in altered adsorption at the surface of the test solutions, which results in the formation of a near-surface film. One of the indicators of such events is the change in the surface temperature of the solution, which can be analyzed using high-resolution thermography. Unlike other methods, the high-resolution thermography allows the near-surface layer of a heterogeneous aqueous solution to be clearly visualized and quantified. A number of experiments were performed: seven replicates of sample preparations were tested; the influence of factors “day” or “operator” was investigated during 12 days of testing by two operators. The method also allowed us to distinguish between technologically processed antibodies and samples containing technologically processed buffer. The thermographic analysis has proven to be a simple, specific, and reproducible technique that can be used to analyze the identity of TPA-based drugs, regardless of the dosage form tested.","PeriodicalId":19041,"journal":{"name":"Molecules","volume":null,"pages":null},"PeriodicalIF":4.6,"publicationDate":"2024-09-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142215499","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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