ChemistryOpen最新文献

{"title":"Homochiral Self-Sorting During Macrocycle Formation and their Chiroptical Properties.","authors":"Diptiprava Sahoo, Soumen De","doi":"10.1002/open.202400400","DOIUrl":"https://doi.org/10.1002/open.202400400","url":null,"abstract":"<p><p>Several BINOL-derived C2-symmetric aldehydes were synthesized to investigate chiral self-sorting phenomena during macrocycle formation in the presence of aliphatic and aromatic bisamines. While self-sorting was unsuccessful with aliphatic amines, aromatic amine dictated complete homochiral self-sorting, confirmed by ¹H NMR analysis and molecular modelling. Additionally, the impact of macrocyclization on the chiroptical properties of these macrocycles was examined. The Cotton effects band red-shifted for aromatic amines owing to extended conjugation. Notably, a substantial increase in specific rotation was observed upon macrocycle formation.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202400400"},"PeriodicalIF":2.5,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142726489","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}

{"title":"Evaluation of Multidentate Ligands Derived from Ethyl 1,2,4-triazine-3-carboxylate Building Blocks as Potential An(III)-Selective Extractants for Nuclear Reprocessing.","authors":"Andrey V Zaytsev, Petr Distler, Jan John, Andreas Wilden, Giuseppe Modolo, Mark Sims, Frank W Lewis","doi":"10.1002/open.202400306","DOIUrl":"https://doi.org/10.1002/open.202400306","url":null,"abstract":"<p><p>Bis-1,2,4-triazine ligands are amongst the most promising soft N-donor ligands for the partitioning of trivalent actinides from trivalent lanthanides; a key separation proposed in the future reprocessing of spent nuclear fuels. In an effort to improve the extraction properties of these benchmark ligands, we propose herein a general ligand design approach that is inspired by the field of drug discovery, and we apply it to a new class of ligands in which the bidentate 3-(2-pyridyl)-1,2,4-triazine unit of the benchmark ligands is replaced by a bidentate 1,2,4-triazine-3-carboxamide unit. A series of nine novel ligands were synthesized by reactions of readily available ethyl 1,2,4-triazine-3-carboxylate building blocks with different polyamine cores and evaluated for their ability to extract and separate Am(III) and Cm(III) from Eu(III). One of the reported ligands can co-extract Am(III) and Eu(III) from nitric acid into cyclohexanone, albeit with no selectivity between the metal ions. NMR titration experiments suggested that ligand 23 b formed a chiral 1 : 1 complex species with La(III) but not Lu(III) or Y(III), suggesting the coordination cavity of the ligand is sensitive to the size of the metal ion. The structures and thermodynamic parameters for the proposed complexes were further supported by DFT calculations.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202400306"},"PeriodicalIF":2.5,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142726486","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}

{"title":"A Facile Synthesis of 3-Substituted Coumarins and Investigation of Their 3CLpro Inhibition Activity Against SARS-CoV-2.","authors":"Manoj K Choudhary, Khalid Ansari, Vivek Junghare, Sandip K Nayak, Saugata Hazra, Soumyaditya Mula","doi":"10.1002/open.202400319","DOIUrl":"https://doi.org/10.1002/open.202400319","url":null,"abstract":"<p><p>The major threat to public health due to the outbreak of severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) infection has been recognised as a global issue. The increase in morbidity is primarily due to the lack of SARS-CoV-2 specific drugs. One of the major strategies to combat this threat is to deactivate the enzymes responsible for the replication of corona virus. To this end, 3-arylidene/3-hydroxycoumarin induced deactivation of 3-chymotrypsin like protease (3CLpro) enzyme, which takes the pivotal role in the replication and maturation, was investigated. For ready availability of the compounds for the above investigation, we have developed a user-friendly protocol for the synthesis 3-hydroxycoumarin derivatives from cheap and readily available starting materials in two steps; i) Bronsted acid catalysed Friedel-Crafts alkylation of phenols with Morita-Baylis-Hillman adducts followed by intramolecular lactonization to trans-3-arylidenechroman-2-ones in one-pot and ii) ozonolysis in reasonably good yields. Pharmacokinetic assessments of coumarin derivatives revealed drug-like characteristics with moderate or low toxicity values. Notably, these hydroxycoumarins exhibited enhanced binding affinity against the 3CL protease of SARS-CoV-2, fitting well into the binding pocket akin to the previously studied inhibitor N3. Furthermore, a molecular dynamics study elucidated the dynamic behaviour of these small molecules when bound to the protein, showcasing intriguing complexities within the active site. Despite backbone variations and residual fluctuations, compounds 3 d-f and 6 a exhibited a consistent behaviour, instilling confidence in the therapeutic potential of these coumarins for combating SARS-CoV-2.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202400319"},"PeriodicalIF":2.5,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142726454","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}

{"title":"Lightweight 3D-net Copper-Plated Polyimide Current Collector for Lithium-Ion Batteries","authors":"Tingyu Song,&nbsp;Yonggang Min","doi":"10.1002/open.202400018","DOIUrl":"10.1002/open.202400018","url":null,"abstract":"<p>Current collector (CC) is an indispensable constituent in lithium-ion battery (LIB). It plays an important role in supporting electrode materials and conducting electrons between the electrode materials and the external circuit. However, the density of metal CC is high and it hinders the lightweight development of LIB. In this work, lightweight three-dimensional (3D) CC was designed and prepared via a facile electroless plating method. The 3D copper-plated polyimide CC has a low areal density. The 3D structure of Cu-PI CC 2 can facilitate Li⁺ transfer between electrode materials and electrolyte owing to electrolyte can permeate through electrode. Moreover, the lithium titanate anode assembled with the 3D copper-plated polyimide Cu-PI CC 2 exhibited enhanced cycling and rate performance.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"14 4","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.202400018","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142726499","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Moisture Sorption by Low-Cost Pyridinium-Based Protic Ionic Liquids: Kinetics and Physico-Electrochemical Properties","authors":"Sayyar Muhammad,&nbsp; Najia,&nbsp;Zarshad Ali,&nbsp;Samina Aziz,&nbsp;Muhammad Hammad Khan,&nbsp;Maroosh Iqbal,&nbsp;Umair Hassan,&nbsp;Jalal Khan,&nbsp;Asad Ali","doi":"10.1002/open.202400165","DOIUrl":"10.1002/open.202400165","url":null,"abstract":"<p>We report the synthesis of two pyridinium-based room temperature protic ionic liquids (PILs), pyridinium bisulfate, [HPyr][HSO₄] and pyridinium sulphate, [HPyr]₂[SO₄] and investigation of the kinetics of their water sorption behaviour and its influence on their density, ionic conductivity, and potential windows. The PILs were synthesized by the reaction of pyridine base with an acid, H₂SO₄, under solventless conditions, and confirmed by FTIR spectroscopy and 1H NMR spectra. The appearance vibration bands in the 3095–3252 cm⁻¹ range for −NH⁺ stretching in the FTIR spectra and a peak at a chemical shift of 8.439 ppm in the 1H-NMR of the liquids confirm their synthesis as no such bands/peaks can be seen in that of the pure pyridine spectra. The PILs’ hygroscopic nature was examined by exposing them (5 mL each sample with exposed surface area 3.143 cm²) to air for varied time intervals at a relative humidity, RH=58±5 % and T=20±5 °C. Coulometric Karl-Fischer (KF) titration was used to determine how much moisture each PIL sample absorbed at each time interval. The findings reveal that when the PIL was exposed to air for longer periods of time, more moisture was absorbed, and the results correspond well with the pseudo first-order kinetic model. The densities and conductivities of several samples of the two PILs were examined, and it was discovered that as the percentage water content of the PILs grew, density decreased but conductivities increased. Furthermore, it was discovered that when temperature rose, the conductivity of each of the PILs increased, and the results fit well to the Arrhenius linear equation since the regression coefficient, R², for each of the samples approached the perfect fit value of one. The electrochemical window (EW) data, the mechanism of moisture oxidation within the EWs of each PIL at Pt and Au electrodes, and the electrocatalytic role played by the Pt and Au surface oxides during ethanol oxidation are evaluated and discussed in light of their future sustainable energy applications.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"14 1","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11726693/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142726505","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"CO2 Photoreduction Under Visible Light by TiO2 and Carbon Dots Derived from Pyrolized Bio-Oil","authors":"Miss Giorgia Ferraro,&nbsp;Dr. Marco Pizzolato,&nbsp;Miss Teresa Botrè,&nbsp;Prof. Giuseppina Cerrato,&nbsp;Prof. Federica Menegazzo,&nbsp;Prof. Michela Signoretto","doi":"10.1002/open.202400286","DOIUrl":"10.1002/open.202400286","url":null,"abstract":"<p>Herein, we report a study on pyrolysis bio-oil upgrading from leather shaving waste to dope in situ titania (TiO₂) with carbon dots (cds). The cds doped TiO₂ exhibits remarkable activity as photocatalyst under solar light for the direct conversion of carbon dioxide (CO₂) and water vapor (H₂O) to methane (CH₄). Morover, the catalytic activity also increased under uv radiation.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"14 2","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.202400286","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142726456","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Antibacterial and Anti-Inflammatory Activity of Chitosan Film with Rhodomyrtus Tomentosa Leaf Extract Prepared Via 3D-Printing Method.","authors":"Quan Vo-An, Chinh Thuy Nguyen, Uyen Thu Pham, Tuan Anh Nguyen, Duong Thanh Nguyen, Dung Tran Hoang, Lu Trong Le, Quyen Thi Cam Ngo, Hoang Thai","doi":"10.1002/open.202400302","DOIUrl":"https://doi.org/10.1002/open.202400302","url":null,"abstract":"<p><p>The combination of natural polymers and plant extract attracted much attention thanks to its valuable biological activities. This study presents the preparation and characterization of chitosan (CS) film containing Rhodomyrtus tomentosa leaf extract. In which, the Rhodomyrtus tomentosa leaf extract (SLE) with polyphenol-rich fractions was extracted by an ultrasonic-assisted extraction method. The prepared chitosan/polyphenol-rich fractions film (CSPPF) was characterized using infrared (IR) spectroscopy, mechanical testing, scanning electron microscopy (SEM), and water absorption analysis. Antibacterial and anti-inflammatory activities of the CSPPF were assessed using the agar well diffusion method and nitric oxide (NO) inhibition assays, respectively. Besides, the release of the extract from the CSPPF as well as the drug release kinetics was also tested. The Rhodomyrtus tomentosa leaf extract enhanced the antibacterial efficacy against Escherichia coli and enhanced the anti-inflammatory activity as well as the swelling ability of the CSPPF. The CSPPF containing 1 wt.% of SLE can inhibit 77.70 % NO with an IC₅₀ value of 19.40 μg/mL.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":" ","pages":"e202400302"},"PeriodicalIF":2.5,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142692817","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}

{"title":"Putative Identification of 47 Compounds from Jieyu Anshen Granule and Proposal of Pharmacopeia Quality-Assessment Strategy Using TCM-Specific Library with UHPLC-Q-Exactive-Orbitrap-MS","authors":"Xican Li,&nbsp;Jingyuan Zeng,&nbsp;Rongxin Cai,&nbsp;Chunhou Li,&nbsp;Xiaoshan Chen,&nbsp;Ban Chen,&nbsp;Xiaojun Zhao,&nbsp;Sunbal Khan","doi":"10.1002/open.202400046","DOIUrl":"10.1002/open.202400046","url":null,"abstract":"<p><i>Jieyu Anshen</i> Granule is a traditional Chinese medicine prescription used for depression and primarily comprises five herbal medicines: Zhizi, Chaihu, Zhigancao, Danggui, and Yuanzhi. This study established a traditional Chinese herbal medicine-specific library using emerging ultra-high-performance liquid chromatography-quadrupole-orbitrap-tandem mass spectrometry analysis. Through library comparison, the study has fulfilled isomers distinction. As a result, 47 compounds were simultaneously and putatively identified from <i>Jieyu Anshen</i> Granule, including 12 unexpected compounds and 35 expected compounds. The unexpected compounds comprised cyclocommunol, 5-hydroxyflavone, tangeretin, 3,5,6,7,8,3’,4’-heptemethoxyflavone, calycosin-7-<i>O</i>-β-D-glucoside, 7,4’-dihydroxyflavone, naringenin-7<i>-O-</i>β-D-glucoside, matrine, betaine, jervine, alantolactone, and hypericin. Among the 35 expected compounds, saikosaponin A, saikosaponin D, glycyrrhizic acid, geniposide, ligustilide, and polygalaxanthone III were further investigated using a quantum chemistry approach. Based on these, an effective quality assessment strategy is proposed for the Pharmacopeia, involving the simultaneous analysis of glycyrrhizic acid, geniposide, ligustilide, polygalaxanthone III, saikosaponins A and D through ultra-high-performance liquid chromatography-quadrupole-orbitrap-tandem mass spectrometry analysis. This strategy enables the detection of adulteration in relation to Zhizi, Chaihu, Zhigancao, Danggui, and Yuanzhi in <i>Jieyu Anshen</i> Granule. The findings of unexpected compounds will deepen the understanding of chemistry in <i>Jieyu Anshen</i> Granule.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"14 1","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11726651/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142680952","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Impact of N-Doping on MoSe2 Monolayer for PH3, C2N2, and HN3 Gas Sensing: A DFT Study","authors":"Mim Khatun,&nbsp;Mahabub Hasan Rocky,&nbsp;Abdullah Al Roman,&nbsp;Debashis Roy,&nbsp;Md. Alamgir Badsha,&nbsp;Mohammad Tanvir Ahmed","doi":"10.1002/open.202400210","DOIUrl":"10.1002/open.202400210","url":null,"abstract":"<p>In this research, the different characteristics of MoSe₂ and N-doped MoSe₂ monolayers were studied using density functional theory calculations. The negative cohesive energy (−5.216 eV for MoSe₂ and −5.333 eV for N-MoSe₂) verified their energetical stability. The variation of structural, electronic, and optical properties of MoSe₂ and N-MoSe₂ via adsorption of PH₃, C₂N₂, and HN₃ gases are studied. The N-doping results in a stronger adsorbent-gas interaction, resulting in maximum adsorption energy of −0.036, −0.033, and −0.198 eV for the selected gases. The MoSe₂ and N-MoSe₂ monolayers showed a direct band gap of 1.48 eV and 1.09 eV, respectively. However, upon interaction with the gases, a notable shift in the band gap of both adsorbents is observed. N-MoSe₂ showed semiconductor-to-conductor transition via C₂N₂ and HN₃ adsorption. The sensitivity of MoSe₂ for the selected gases has improved remarkably via N-doping. Also, HN₃ gas can be easily detected by the N-MoSe₂ monolayer due to the greater changes in work function (0.45 eV). The absorption coefficient of both adsorbents is over 10⁵ cm⁻¹ order in the UV region, which suffers a mild peak shifting due to gas adsorption. This study suggests that N-MoSe₂ can be a potential candidate for selected gas sensing.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"14 2","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.202400210","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142680931","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Synthesis and Structural Characterization of SiO2 Nanoparticles Using Extract of Gracilaria Crassa Via Green Chemistry Approach","authors":"Vanathi Palanimuthu,&nbsp;Rajiv Periakaruppan,&nbsp;Valentin Romanovski,&nbsp;Ayyarappan Bharathi,&nbsp;Karungan Selvaraj Vijai Selvaraj,&nbsp;Somasundaram Anukeerthana,&nbsp;Rajendran Nishanthi,&nbsp;Gurumoorthy Vanajadevi","doi":"10.1002/open.202400356","DOIUrl":"10.1002/open.202400356","url":null,"abstract":"<p>Biologically synthesized nanoparticles via biological entities are produced with less negative impact on the environment and without expensive chemicals, which have biocompatibility and are eco-friendly. <i>Gracilaria crassa</i> is a well-known marine red alga that is edible and unique and is the commercial source of agar and agarose production. In this work, <i>Gracilaria crassa</i>-mediated SiO₂ NPs were synthesized by the green synthesis method. In order to characterize the physicochemical properties of the synthesized SiO₂ NPs, a variety of microscopic and spectroscopic approaches were used, including imaging with Field emission scanning electron microscopy, Energy-dispersive X-ray analysis, UV spectrophotometry, X-ray diffraction analysis, Fourier-transform infrared spectroscopy, Zeta potential, and Thermo gravimetric analysis. These results shown that <i>Gracilaria crassa</i>-mediated SiO₂ NPs were amorphous nature, negatively charged −15.5 mV and spherical shape in size of 20–50 nm. The antioxidant capacity of synthesised SiO₂ NPs was examined by 2,2-Diphenyl-1-picrylhydrazyl assay and it observed as IC₅₀ value of 49.4 μg/mL denotes that could counteract the production of free radicals and oxidative stress. The characteristics of the synthesized <i>Gracilara crassa</i>-mediated SiO₂ NPs suggest their application as potential antioxidant agents.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":"14 2","pages":""},"PeriodicalIF":2.5,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.202400356","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142680955","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}