Recently, liquid desiccant air conditioners (LDACs) have gained rapidly growing interest as an important candidate for an energy-efficient air conditioner. By enabling moisture absorption from the air, ionic liquids (ILs) can serve as a novel desiccant source for LDACs. For insights into the design and optimization of ILs to this end, we herein present a survey of studies on dehumidification and other relevant properties of ILs and offer some molecular perspective on their feasibility as a desiccant.
{"title":"Design of Ionic Liquids as a Desiccant for the Liquid Desiccant Type Air-Conditioning System","authors":"Toshiyuki Itoh, Hyung J Kim","doi":"10.1093/chemle/upae172","DOIUrl":"https://doi.org/10.1093/chemle/upae172","url":null,"abstract":"Recently, liquid desiccant air conditioners (LDACs) have gained rapidly growing interest as an important candidate for an energy-efficient air conditioner. By enabling moisture absorption from the air, ionic liquids (ILs) can serve as a novel desiccant source for LDACs. For insights into the design and optimization of ILs to this end, we herein present a survey of studies on dehumidification and other relevant properties of ILs and offer some molecular perspective on their feasibility as a desiccant.","PeriodicalId":9862,"journal":{"name":"Chemistry Letters","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142208326","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The effects of TiO2 nanoparticle (NP) morphology on the photocatalytic activity of physically assembled TiO2 NP/g-C3N4 heterojunctions (TCNPHY) was investigated. Spherical, spindle and cubic TiO2 NPs were synthesized and separately supported on g-C3N4 nanosheets to form physically assembled TCNPHY catalysts. The photocatalytic activity for methylene blue (MB) degradation observed for TCNPHY with the cubic TiO2 NPs supported higher light absorption and a lower recombination rate; therefore, this was an adequate catalyst for the construction of catalytically active heterojunctions. The cubic-TiO2 TCNPHY exhibited a degradation rate that was 2.2 times higher than that for the g-C3N4 nanosheets alone.
{"title":"Morphological effect of TiO2 nanoparticles in TiO2/g-C3N4 heterojunctions on photocatalytic dye degradation","authors":"Zijian Deng, Ryota Osuga, Masaki Matsubara, Kiyoshi Kanie, Atsushi Muramatsu","doi":"10.1093/chemle/upae171","DOIUrl":"https://doi.org/10.1093/chemle/upae171","url":null,"abstract":"The effects of TiO2 nanoparticle (NP) morphology on the photocatalytic activity of physically assembled TiO2 NP/g-C3N4 heterojunctions (TCNPHY) was investigated. Spherical, spindle and cubic TiO2 NPs were synthesized and separately supported on g-C3N4 nanosheets to form physically assembled TCNPHY catalysts. The photocatalytic activity for methylene blue (MB) degradation observed for TCNPHY with the cubic TiO2 NPs supported higher light absorption and a lower recombination rate; therefore, this was an adequate catalyst for the construction of catalytically active heterojunctions. The cubic-TiO2 TCNPHY exhibited a degradation rate that was 2.2 times higher than that for the g-C3N4 nanosheets alone.","PeriodicalId":9862,"journal":{"name":"Chemistry Letters","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142208298","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Koki Ishii, Yoshihide Hattori, Hajime Shigeto, Shohei Yamamura, Mizuki Kitamatsu
We have developed peptide nucleic acids (PNAs) modified with boronic acid (Boa) and its ligand 2-(pyridin-2-yl)phenol (Pyp) as a probe for fluorescence detection of a target nucleic acid. Boa and Pyp successfully showed fluorescence by complexing via hybridization with PNA and the target. This fluorescent PNA probe also successfully responded to the target RNA in cells.
{"title":"A fluorescent complex with PNAs modified by boronic acid and its ligand detects target RNA in cells","authors":"Koki Ishii, Yoshihide Hattori, Hajime Shigeto, Shohei Yamamura, Mizuki Kitamatsu","doi":"10.1093/chemle/upae169","DOIUrl":"https://doi.org/10.1093/chemle/upae169","url":null,"abstract":"We have developed peptide nucleic acids (PNAs) modified with boronic acid (Boa) and its ligand 2-(pyridin-2-yl)phenol (Pyp) as a probe for fluorescence detection of a target nucleic acid. Boa and Pyp successfully showed fluorescence by complexing via hybridization with PNA and the target. This fluorescent PNA probe also successfully responded to the target RNA in cells.","PeriodicalId":9862,"journal":{"name":"Chemistry Letters","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142226468","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Allenoates are versatile reagents that can be used for numerous (formal) cycloaddition reactions under (chiral) Lewis base catalysis. Most commonly, the catalysts of choice are phosphines, amines, and N-heterocyclic carbenes. We have recently established the use of readily available chiral isochalcogenoureas as catalysts for asymmetric (4+2)-heterocycloadditions of allenoates with various vinylogous acceptors. This represents a complementary approach for allenoate activation and gives access to various highly functionalized chiral dihydropyrans with good to excellent enantioselectivities and diastereoselectivities.
{"title":"Isochalcogenourea-Catalyzed Asymmetric (4+2)-Heterocycloadditions of Allenoates","authors":"Mario Waser","doi":"10.1093/chemle/upae168","DOIUrl":"https://doi.org/10.1093/chemle/upae168","url":null,"abstract":"Allenoates are versatile reagents that can be used for numerous (formal) cycloaddition reactions under (chiral) Lewis base catalysis. Most commonly, the catalysts of choice are phosphines, amines, and N-heterocyclic carbenes. We have recently established the use of readily available chiral isochalcogenoureas as catalysts for asymmetric (4+2)-heterocycloadditions of allenoates with various vinylogous acceptors. This represents a complementary approach for allenoate activation and gives access to various highly functionalized chiral dihydropyrans with good to excellent enantioselectivities and diastereoselectivities.","PeriodicalId":9862,"journal":{"name":"Chemistry Letters","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142208328","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The inhibitory activity of puerarin on the CYP1B1 enzyme was evaluated by the 7-ethoxyresorufin O-dealkylation method. At the same time, the density functional theory algorithm, molecular docking, and molecular dynamics simulations were used to verify the stability of the puerarin–CYP1B1 complex. It has been found that puerarin is a potent uncompetitive inhibitor of CYP1B1 (IC50: 1.06 ± 0.15 μM).
{"title":"Quantum chemical analysis and biochemical evaluation of the inhibitory activity of puerarin on CYP1B1 enzyme","authors":"Xue Li, Jinyue Lu, Lianrong Yang, Yuan Tian, Liwei Jia, Xin Meng","doi":"10.1093/chemle/upae160","DOIUrl":"https://doi.org/10.1093/chemle/upae160","url":null,"abstract":"The inhibitory activity of puerarin on the CYP1B1 enzyme was evaluated by the 7-ethoxyresorufin O-dealkylation method. At the same time, the density functional theory algorithm, molecular docking, and molecular dynamics simulations were used to verify the stability of the puerarin–CYP1B1 complex. It has been found that puerarin is a potent uncompetitive inhibitor of CYP1B1 (IC50: 1.06 ± 0.15 μM).","PeriodicalId":9862,"journal":{"name":"Chemistry Letters","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142208331","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Utilizing photoreactive oligodeoxyribonucleotides (ODNs) presents a promising avenue for significantly enhancing antisense effects with high spatiotemporal resolution. This enhancement arises from the increased stability of RNA–DNA heteroduplexes achieved through photo-cross-linking with complementary RNAs upon light illumination. In this study, we propose a post-introduction approach for preparing ODNs incorporating diazirine and aryl azide warheads, employing 2′-amino-2′-deoxyuridine. We investigate the photo-cross-linking efficiencies, rates, and nucleobase preferences of these photoreactive ODNs when paired with their complementary RNAs.
{"title":"Photo-cross-linking reactions in RNA–DNA heteroduplexes using photoreactive DNA incorporated with diazirine and aryl azide warheads","authors":"Kazuya Matsuo, Machiko Kitamura, Kentaro Kobata, Daiki Unita, Tomonori Waku, Akio Kobori","doi":"10.1093/chemle/upae152","DOIUrl":"https://doi.org/10.1093/chemle/upae152","url":null,"abstract":"Utilizing photoreactive oligodeoxyribonucleotides (ODNs) presents a promising avenue for significantly enhancing antisense effects with high spatiotemporal resolution. This enhancement arises from the increased stability of RNA–DNA heteroduplexes achieved through photo-cross-linking with complementary RNAs upon light illumination. In this study, we propose a post-introduction approach for preparing ODNs incorporating diazirine and aryl azide warheads, employing 2′-amino-2′-deoxyuridine. We investigate the photo-cross-linking efficiencies, rates, and nucleobase preferences of these photoreactive ODNs when paired with their complementary RNAs.","PeriodicalId":9862,"journal":{"name":"Chemistry Letters","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-08-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142208327","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
AlphaFold3 can predict protein–ligand complex structures. In this study, we examined the accuracy of prediction of heme–protein interactions by AlphaFold3. AlphaFold3 succeeded in predicting heme–protein interactions for most heme proteins except for those without homologous proteins in the Protein Data Bank. Our comparison of predictions by AlphaFold3 and AlphaFold2 suggests that heme–protein structures can be predicted from amino acid sequences of proteins alone using AlphaFold2.
{"title":"Structure comparison of heme-binding sites in heme protein predicted by AlphaFold3 and AlphaFold2","authors":"Hiroko X Kondo, Yu Takano","doi":"10.1093/chemle/upae148","DOIUrl":"https://doi.org/10.1093/chemle/upae148","url":null,"abstract":"AlphaFold3 can predict protein–ligand complex structures. In this study, we examined the accuracy of prediction of heme–protein interactions by AlphaFold3. AlphaFold3 succeeded in predicting heme–protein interactions for most heme proteins except for those without homologous proteins in the Protein Data Bank. Our comparison of predictions by AlphaFold3 and AlphaFold2 suggests that heme–protein structures can be predicted from amino acid sequences of proteins alone using AlphaFold2.","PeriodicalId":9862,"journal":{"name":"Chemistry Letters","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142208330","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Methanol dehydrogenase is a promising biocatalyst for industrial use, converting methanol to formaldehyde. Our molecular modeling revealed methanol binds to methanol dehydrogenase with ∼7 kcal/mol free energy, while formaldehyde binds with ∼4 kcal/mol. This suggests that methanol remains longer in the active site, and formaldehyde exits more readily postreaction. These insights are crucial for designing more efficient methanol dehydrogenase variants for industrial applications.
{"title":"Computational insights into the molecular dynamics of the binding of ligands in the methanol dehydrogenase","authors":"One-Sun Lee, Sung Haeng Lee","doi":"10.1093/chemle/upae153","DOIUrl":"https://doi.org/10.1093/chemle/upae153","url":null,"abstract":"Methanol dehydrogenase is a promising biocatalyst for industrial use, converting methanol to formaldehyde. Our molecular modeling revealed methanol binds to methanol dehydrogenase with ∼7 kcal/mol free energy, while formaldehyde binds with ∼4 kcal/mol. This suggests that methanol remains longer in the active site, and formaldehyde exits more readily postreaction. These insights are crucial for designing more efficient methanol dehydrogenase variants for industrial applications.","PeriodicalId":9862,"journal":{"name":"Chemistry Letters","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142208329","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this study, a novel composite of Iodine-doped bismuth oxybromide (I-BiOBr)/carbon quantum dots was synthesized using a simple chemical precipitation method at ambient temperature. The bandgap energy of bismuth oxybromide (BiOBr) can be reduced from 2.78 to 2.28 eV by introducing I-ions, aligning it with the upconverted emission spectrum of carbon quantum dots. Consequently, the photodegradation efficiency of I-BiOBr/carbon quantum dots reached a 95% degradation rate for methyl orange after 120 min of visible light irradiation, which is 4.2 times than that of BiOBr.
本研究采用简单的化学沉淀法，在常温下合成了碘掺杂氧溴化铋（I-BiOBr）/碳量子点的新型复合材料。通过引入 I 离子，氧溴化铋（BiOBr）的带隙能可从 2.78 eV 降至 2.28 eV，使其与碳量子点的上转换发射光谱相一致。因此，在可见光照射 120 分钟后，I-BiOBr/碳量子点对甲基橙的光降解效率达到 95%，是 BiOBr 的 4.2 倍。
{"title":"Constructing a novel I-BiOBr/CQD composite for near-infrared–driven photocatalysis","authors":"Maozhou Fan","doi":"10.1093/chemle/upae151","DOIUrl":"https://doi.org/10.1093/chemle/upae151","url":null,"abstract":"In this study, a novel composite of Iodine-doped bismuth oxybromide (I-BiOBr)/carbon quantum dots was synthesized using a simple chemical precipitation method at ambient temperature. The bandgap energy of bismuth oxybromide (BiOBr) can be reduced from 2.78 to 2.28 eV by introducing I-ions, aligning it with the upconverted emission spectrum of carbon quantum dots. Consequently, the photodegradation efficiency of I-BiOBr/carbon quantum dots reached a 95% degradation rate for methyl orange after 120 min of visible light irradiation, which is 4.2 times than that of BiOBr.","PeriodicalId":9862,"journal":{"name":"Chemistry Letters","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142208332","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Herein, we report the UV-induced controlled radical polymerization facilitated by titanium dioxide nanoparticles and trithiocarbonate derivatives, serving as photocatalysts and chain transfer agents, respectively. The polymerization proceeded through a reversible addition–fragmentation chain transfer (RAFT) process. The resulting polymers exhibited well-controlled molecular weights and relatively low polydispersity. Additionally, the chain extension reaction via UV-induced RAFT polymerization using titanium dioxide nanoparticles yielded higher-molecular weight polymer products.
{"title":"UV-induced Controlled Radical Polymerization Using Titanium Dioxide Nanoparticles Via the RAFT Process","authors":"Shuji Zenke, Tomonari Tanaka","doi":"10.1093/chemle/upae165","DOIUrl":"https://doi.org/10.1093/chemle/upae165","url":null,"abstract":"Herein, we report the UV-induced controlled radical polymerization facilitated by titanium dioxide nanoparticles and trithiocarbonate derivatives, serving as photocatalysts and chain transfer agents, respectively. The polymerization proceeded through a reversible addition–fragmentation chain transfer (RAFT) process. The resulting polymers exhibited well-controlled molecular weights and relatively low polydispersity. Additionally, the chain extension reaction via UV-induced RAFT polymerization using titanium dioxide nanoparticles yielded higher-molecular weight polymer products.","PeriodicalId":9862,"journal":{"name":"Chemistry Letters","volume":null,"pages":null},"PeriodicalIF":1.6,"publicationDate":"2024-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142208334","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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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