ChemistryOpenPub Date : 2024-10-17DOI: 10.1002/open.202400265
Eleonora Mancin, Eliana Capecchi, Lorenzo Botta, Bruno Mattia Bizzarri
{"title":"Multicomponent Synthesis of C(8)-Substituted Purine Building Blocks of Peptide Nucleic Acids from Prebiotic Compounds.","authors":"Eleonora Mancin, Eliana Capecchi, Lorenzo Botta, Bruno Mattia Bizzarri","doi":"10.1002/open.202400265","DOIUrl":"https://doi.org/10.1002/open.202400265","url":null,"abstract":"<p><p>We have explored the reaction of a three-components mixture of aminomalononitrile, urea and α-amino acid methyl esters for the multicomponent synthesis substituted purines resembling PNA's building blocks. 2,6-diamino-purines, 6-amino-3,9-dihydro-2H-purin-2-one (iso-guanines), and 3,9-dihydro-6H-purin-6-one derivatives, selectively decorated at C(8)-position of the purine ring with different amino acid residues, were obtained from acceptable to good yields. The regio-selectivity of the transformation was controlled by the use of urea in the ternary mixture and by the annulation agent involved in the ring-closure of amino-imidazole carbonitrile intermediates. Solvent free conditions, microwave irradiation and simple one-carbon containing reagents further satisfied the major requirement of atom economy and sustainable chemistry. Due to the prebiotic nature of the three-components mixture and of annulation agents, it also embodies the possibility for the synthesis of novel PNAs bearing purine nucleobases decorated at C(8)-position of the imidazole ring as alternative RNA analogues in molecular evolution.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142459215","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}
ChemistryOpenPub Date : 2024-10-17DOI: 10.1002/open.202400222
Zhengguang Guo, Yonghong Yao, Jin Liu
{"title":"First Principles Study of Electronic and Optical Properties of Al-P Co-Doped ZnO in the Presence of Zn Vacancies.","authors":"Zhengguang Guo, Yonghong Yao, Jin Liu","doi":"10.1002/open.202400222","DOIUrl":"https://doi.org/10.1002/open.202400222","url":null,"abstract":"<p><p>The BP neural network optimized by the Adam algorithm was used to predict the defect formation energy of Al-P co-doped ZnO systems with different concentrations of P replacing O under the presence of different concentrations of V<sub>Zn</sub>. It was found that the easily formed Al<sub>Zn</sub>Po-1V<sub>Zn</sub>, Al<sub>Zn</sub>P<sub>O</sub>-2V<sub>Zn</sub>, and Al<sub>Zn</sub>2P<sub>O</sub>-1V<sub>Zn</sub> systems. The first principles of density function were used to study the geometric, electronic, and optical properties of each system. The simulation results show that the bandgap values of the three systems have decreased relative to the intrinsic ZnO, among which Al<sub>Zn</sub>P<sub>O</sub>-1V<sub>Zn</sub> and Al<sub>Zn</sub>P<sub>O</sub>-2V<sub>Zn</sub> is still a p-type conductive system, Al<sub>Zn</sub>P<sub>O</sub>-2V<sub>Zn</sub> has the highest conductivity. From the analysis of reflectivity, absorption rate, and light transmittance, Al<sub>Zn</sub>2P<sub>O</sub>-1V<sub>Zn</sub> has the most relatively excellent optical properties, followed by AlznPo-2V<sub>Zn</sub>.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-10-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142459213","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":"New Ibuprofen Cystamine Salts With Improved Solubility and Anti-Inflammatory Effect.","authors":"Simay Denizkusu, Ece Sabuncu, Hande Sipahi, Duygu Avci","doi":"10.1002/open.202400206","DOIUrl":"https://doi.org/10.1002/open.202400206","url":null,"abstract":"<p><p>Two novel ibuprofen cystamine salts (IBU-CYS 1 and IBU-CYS 2) are synthesized by coupling the anion of ibuprofen with cystamine dihydrochloride in 1 : 1 and 2 : 1 ratio to improve the solubility and bioavailability of ibuprofen. The salts are characterized by <sup>1</sup>H NMR, FT-IR and UV-Vis spectroscopy, differential scanning calorimetry (DSC), thermogravimetry (TGA, DTA) and X-ray diffraction measurements. IBU-CYS 1 and IBU-CYS 2 show higher solubility (6.11 and 7.81 mg/mL) compared to ibuprofen (0.04 mg/mL) in water. IBU-CYS2 was encapsulated into 2-hydroxyethyl methacrylate: poly (ethylene glycol) acrylate hydrogels for enhanced delivery. The in vitro studies in PBS (pH 7.4) indicate that the salts are effective in relieving inflammatory responses induced by lipopolysaccharide in RAW264.7 macrophage cells (nitrite inhibition percentages of IBU-CYS 1, IBU-CYS 2 and ibuprofen: approximately 34.29, 27.03 and 31.50 respectively) while indicating no cytotoxicity. Therefore, these salts may be promising candidates for the development of effective formulations of this drug.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-10-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142459216","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":"Conversion of Cellobiose to Formic Acid as a Biomass-Derived Renewable Hydrogen Source Using Solid Base Catalysts.","authors":"Ikuto Yoshiki, Atsushi Takagaki, Jun Tae Song, Motonori Watanabe, Tatsumi Ishihara","doi":"10.1002/open.202400079","DOIUrl":"https://doi.org/10.1002/open.202400079","url":null,"abstract":"<p><p>Formic acid is considered a promising hydrogen carrier. Biomass-derived formic acid can be obtained by oxidative decomposition of sugars. This study explored the production of formic acid from cellobiose, a disaccharide consisting of d-glucose linked by β-glycosidic bonds using heterogeneous catalysts under mild reaction conditions. The use of alkaline earth metal oxide solid base catalysts like CaO and MgO in the presence of hydrogen peroxide could afford formic acid from cellobiose at 343 K. While CaO gave 14 % yield of formic acid, the oxide itself was converted to a harmful metal peroxide, CaO<sub>2</sub> after the reaction. In contrast, MgO could produce formic acid without the formation of the metal peroxide. The difficulty in selectively synthesizing formic acid from cellobiose using these solid base catalysts was due to the poor conversion of cellobiose to glucose. Using a combination of solid acid and base catalysts, a high formic acid yield of 33 % was obtained under mild reaction conditions due to the quantitative hydrolysis of cellobiose to glucose by a solid acid followed by the selective decomposition of glucose to formic acid by a solid base.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142388414","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}
ChemistryOpenPub Date : 2024-10-07DOI: 10.1002/open.202481001
Dr. Yui Sasaki, Kohei Ohshiro, Miyuki Kato, Hikaru Tanaka, Akari Yamagami, Dr. Kazutake Hagiya, Prof. Dr. Tsuyoshi Minami
{"title":"Front Cover: Quantitative Spermidine Detection in Cosmetics using an Organic Transistor-Based Chemical Sensor (ChemistryOpen 10/2024)","authors":"Dr. Yui Sasaki, Kohei Ohshiro, Miyuki Kato, Hikaru Tanaka, Akari Yamagami, Dr. Kazutake Hagiya, Prof. Dr. Tsuyoshi Minami","doi":"10.1002/open.202481001","DOIUrl":"https://doi.org/10.1002/open.202481001","url":null,"abstract":"<p>A chemical sensor device based on an extended-gate-type organic transistor illustrated as a gold watch quantifies the target spermidine in cosmetics at μmol L−1 levels. The accuracy of the organic transistor-based chemical sensor is validated using a stational analytical instrument. Thus, the accurate recovery rates for spermidine in a commercial cosmetic ingredient product reveals the potential of the sensor for cosmetic analysis. More information can be found in the Research Article by Tsuyoshi Minami and co-workers (DOI: 10.1002/open.202400098).<figure>\u0000 <div><picture>\u0000 <source></source></picture><p></p>\u0000 </div>\u0000 </figure>\u0000 </p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/open.202481001","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142429343","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":"Green Synthesis of Zinc Oxide Nanoparticles Using Dillenia Indica and Mikania Micrantha Leaf Extracts: Applications in Photocatalysis and Antibacterial Activity.","authors":"Protap Kumar Pal, Md Sarifujjaman, Prianka Saha, S M Mahbubur Rahman, Md Emdadul Islam, Bashir Ahmmad, Kaykobad Md Rezaul Karim, Md Mahiuddin","doi":"10.1002/open.202400102","DOIUrl":"https://doi.org/10.1002/open.202400102","url":null,"abstract":"<p><p>Researchers are keenly interested in developing metal-based nanoparticles using plant sources as they are eco-friendly, less expensive and simpler. Zinc oxide nanoparticles, symbolized as D-ZnONPs and M-ZnONPs were synthesized in this study utilizing the leaves of D. indica and M. micrantha, respectively, and studied their impact on the growth inhibition of various bacterial strains and on the photocatalysis. By displaying the distinctive surface plasmon resonance (SPR) band at 373 nm in UV-Vis and bands at 450-480 cm<sup>-1</sup> corresponding to Zn-O stretching FTIR spectroscopy imparted the formation of ZnONPs which was further supported by X-ray diffraction analysis by showing the polycrystalline nature and a hexagonal wurtzite structure. The spherical form and average particle size of 30 nm of the produced ZnONPs, as confirmed by electron microscopy, are also confirmed to be crystalline. Under natural sunlight, both ZnONPs demonstrate excellent degradation efficacy about 96-99 % within 100 min towards methylene blue (MB). Furthermore, it is noteworthy that both the synthesized ZnONPs exhibited 55-60 % efficacy with respect to antibiotics in inhibiting the growth of various pathogenic bacterial strains. Overall, ZnONPs can be produced on a large-scale using plant sources and employed them in environmental remediation and cosmetic industries as prominent components.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142364580","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":"New Tricyclic Aryl Quinazoline Derivatives by Suzuki-Miyaura Cross-Coupling.","authors":"Burkhon Elmuradov, Rasul Okmanov, Bakhromjon Juraev, Gerald Dräger, Holger Butenschön","doi":"10.1002/open.202400197","DOIUrl":"https://doi.org/10.1002/open.202400197","url":null,"abstract":"<p><p>A number of new deoxyvasicinone (2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one) and mackinazolinone (6,7,8,9-tetrahydro-11H-pyrido[2,1-b]quinazolin-11-one) derivatives with aryl substituents at C7/C8 and at C5 are reported. These compounds are rare representatives of their kind and were prepared in high yields by Suzuki-Miyaura cross-coupling reactions between 7-bromo-2,3-dihydro[2,1-b]quinazoline-9-(1H)-one, 5,7-dibromo-2,3-dihydro[2,1-b]quinazoline-9-(1H)-one or 8-bromomackinazolinone and respective arylboronic acids with palladium acetate as the catalyst. The products were characterized spectroscopically and, in addition, by X-ray crystal structure analyses in six cases.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142342603","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}
ChemistryOpenPub Date : 2024-09-27DOI: 10.1002/open.202400199
Raoul D Brand, Julia S Schulze, Anja Henss, Bernd M Smarsly
{"title":"Time-of-Flight Secondary Ion Mass Spectrometry Revealing the Organocatalyst Distribution in Functionalized Silica Monoliths.","authors":"Raoul D Brand, Julia S Schulze, Anja Henss, Bernd M Smarsly","doi":"10.1002/open.202400199","DOIUrl":"https://doi.org/10.1002/open.202400199","url":null,"abstract":"<p><p>Hierarchically porous monolithic silica shows promise as a carrier material for immobilized organocatalysts. Conventional analysis usually includes physisorption, infrared spectroscopy and elemental analysis, among others, to elucidate the pore space and degree of functionalization of the material. However, these methods do not yield information about the spatial distribution of the organic species inside the monolithic reactor. In this work, time-of-flight secondary ion mass spectrometry has been applied to characterize the surface of organically functionalized silica monoliths. Cross sections of a silica monolith functionalized with 4-dimethylaminopyridine were analyzed and the results were compared with physisorption and elemental analysis experiments of the same material. This way, insight into the radial distribution of the catalyst could be achieved, which might assist in interpreting the performance of such reactors in heterogeneous flow catalysis.</p>","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":null,"pages":null},"PeriodicalIF":2.5,"publicationDate":"2024-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142342604","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}
ChemistryOpenPub Date : 2024-09-24DOI: 10.1002/open.202400071
Tim P. Schlachta, Greta G. Zámbó, Michael J. Sauer, Isabelle Rüter, Fritz E. Kühn
{"title":"Impact of Ligand Design on an Iron NHC Epoxidation Catalyst","authors":"Tim P. Schlachta, Greta G. Zámbó, Michael J. Sauer, Isabelle Rüter, Fritz E. Kühn","doi":"10.1002/open.202400071","DOIUrl":"https://doi.org/10.1002/open.202400071","url":null,"abstract":"An open-chain iron pyridine-NHC framework is expanded utilizing a benzimidazole moiety. The new iron(II) NHC complex is characterized and employed in olefin epoxidation. It is remarkably temperature tolerant and achieves a TOF of ca. 10 000 h<sup>−1</sup> and TON of ca. 700 at 60 °C with Sc(OTf)<sub>3</sub> as additive.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142317798","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}
ChemistryOpenPub Date : 2024-09-24DOI: 10.1002/open.202400215
Chhavi Sharma, Yuvraj Singh Negi, Kaushik Parida, Sara Dale
{"title":"Electro-Co-Polymerisation of Polypyrrole-Polyaniline Composites in Ionic Liquids for Metal-Free Hydrogen Evolution Electrodes","authors":"Chhavi Sharma, Yuvraj Singh Negi, Kaushik Parida, Sara Dale","doi":"10.1002/open.202400215","DOIUrl":"https://doi.org/10.1002/open.202400215","url":null,"abstract":"Polypyrrole: polyaniline composites in a 1 : 10 ratio were studied for their hydrogen evolution ability and were found to improve after continued cycling in 0.5 M H<sub>2</sub>SO<sub>4</sub> indicating protonation of the conducting polymers to a higher conducting state.","PeriodicalId":9831,"journal":{"name":"ChemistryOpen","volume":null,"pages":null},"PeriodicalIF":2.3,"publicationDate":"2024-09-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142317804","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}