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Biosensor Based on the Immobilization of Laccase on β-Cyclodextrin Membrane for the Evaluation of Antioxidant Capacity in Real Samples. 基于在β-环糊精膜上固定漆酶的生物传感器,用于评估真实样品中的抗氧化能力
IF 2.5 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-21 DOI: 10.1002/open.202400228
Jorge Juárez-Gómez, Omar Alejandro Báez-Melga, Dafne Sarahia Guzmán-Hernández

The optimization of a new amperometric biosensor for evaluating antioxidant capacity in real samples is reported. The biosensor is based on the immobilization of Laccase from Trametes versicolor on an electropolymerized β-cyclodextrin polymeric membrane on a glassy carbon electrode. The process of electropolymerization, which was successful even in the presence of the enzyme, was a key step in biosensor synthesis. Variables such as pH, temperature, and enzyme concentration were optimized using a factorial design with two levels for each factor. Different electrodes were constructed and tested using caffeic acid as a standard. The best biosensor is synthesized at pH 3.0 with 6 mg/mL of enzyme and 30 °C. The biosensor presented a response time of ≤30 seconds and good stability in its amperometric response. The biosensor was used to evaluate the antioxidant capacity of real samples. Infusions of green, black, red, and white tea were assessed. The biosensor showed excellent stability and good performance regarding response time, stability, and easy fabrication. The proposed biosensor is a good option for evaluating antioxidant capacity in real samples without sample pretreatment. It combines a simple fabrication methodology and a minimal extraction process for rapid and reliable phenolic content determination in real samples.

报告对一种新型安培生物传感器进行了优化,以评估实际样品中的抗氧化能力。该生物传感器是基于在玻璃碳电极上的电聚合β-环糊精聚合膜上固定来自多色金龟子的漆酶。电聚合过程是生物传感器合成的关键步骤,即使在酶存在的情况下也能成功进行。采用因子设计对 pH 值、温度和酶浓度等变量进行了优化,每个因子有两个水平。构建了不同的电极,并以咖啡酸为标准进行了测试。最佳的生物传感器是在 pH 值为 3.0、酶浓度为 6 毫克/毫升、温度为 30 ℃ 的条件下合成的。该生物传感器的反应时间≤30 秒,其安培反应具有良好的稳定性。该生物传感器用于评估实际样品的抗氧化能力。对绿茶、红茶和白茶进行了评估。该生物传感器在响应时间、稳定性和易于制造等方面表现出卓越的稳定性和良好的性能。建议的生物传感器是评估真实样品抗氧化能力的良好选择,无需对样品进行预处理。它结合了简单的制作方法和最少的提取过程,可快速可靠地测定真实样品中的酚含量。
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引用次数: 0
Multicomponent Synthesis of C(8)-Substituted Purine Building Blocks of Peptide Nucleic Acids from Prebiotic Compounds. 用前生物化合物多组分合成肽核酸的 C(8)- 取代嘌呤基块。
IF 2.5 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-17 DOI: 10.1002/open.202400265
Eleonora Mancin, Eliana Capecchi, Lorenzo Botta, Bruno Mattia Bizzarri

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.

我们探索了氨基丙二腈、尿素和 α-氨基酸甲酯三组份混合物的反应,用于多组分合成类似 PNA 构建模块的替代嘌呤。在嘌呤环的 C(8)位上用不同的氨基酸残基进行选择性装饰,获得了 2,6-二氨基嘌呤、6-氨基-3,9-二氢-2H-嘌呤-2-酮(异鸟嘌呤)和 3,9-二氢-6H-嘌呤-6-酮衍生物,产量可接受,甚至很高。转化的区域选择性受三元混合物中尿素的使用和氨基咪唑腈中间体窄环化过程中环化剂的控制。无溶剂条件、微波辐照和简单的含碳试剂进一步满足了原子经济和可持续化学的主要要求。由于三组分混合物和环化剂的前生物性质,它还体现了合成新型 PNA 的可能性,这些 PNA 含有在咪唑环 C(8)- 位上装饰的嘌呤核碱基,可作为分子进化中的替代 RNA 类似物。
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引用次数: 0
First Principles Study of Electronic and Optical Properties of Al-P Co-Doped ZnO in the Presence of Zn Vacancies. 存在锌空位时 Al-P 共掺氧化锌的电子和光学特性的第一原理研究》(First Principles Study of Electronic and Optical Properties of Al-P Co-Doped ZnO in the Presence of Zn Vacancies)。
IF 2.5 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-17 DOI: 10.1002/open.202400222
Zhengguang Guo, Yonghong Yao, Jin Liu

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 VZn. It was found that the easily formed AlZnPo-1VZn, AlZnPO-2VZn, and AlZn2PO-1VZn 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 AlZnPO-1VZn and AlZnPO-2VZn is still a p-type conductive system, AlZnPO-2VZn has the highest conductivity. From the analysis of reflectivity, absorption rate, and light transmittance, AlZn2PO-1VZn has the most relatively excellent optical properties, followed by AlznPo-2VZn.

利用亚当算法优化的 BP 神经网络预测了不同浓度 P 取代 O 的 Al-P 共掺杂 ZnO 系统在不同浓度 VZn 存在下的缺陷形成能。结果发现,容易形成 AlZnPo-1VZn、AlZnPO-2VZn 和 AlZn2PO-1VZn 系统。利用密度函数第一性原理研究了各体系的几何、电子和光学特性。模拟结果表明,相对于本征 ZnO,三个体系的带隙值都有所下降,其中 AlZnPO-1VZn 和 AlZnPO-2VZn 仍为 p 型导电体系,AlZnPO-2VZn 的导电率最高。从反射率、吸收率和透光率分析,AlZn2PO-1VZn 的光学性能相对最优异,其次是 AlznPo-2VZn。
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引用次数: 0
New Ibuprofen Cystamine Salts With Improved Solubility and Anti-Inflammatory Effect. 具有更好溶解性和抗炎效果的新型布洛芬胱胺盐。
IF 2.5 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-14 DOI: 10.1002/open.202400206
Simay Denizkusu, Ece Sabuncu, Hande Sipahi, Duygu Avci

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 1H 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.

通过将布洛芬阴离子与胱胺二盐酸盐以 1 :1 和 2 :1 的比例将布洛芬阴离子与胱胺二盐酸盐偶联,以提高布洛芬的溶解度和生物利用度。这些盐通过 1H NMR、FT-IR 和 UV-Vis 光谱、差示扫描量热法(DSC)、热重法(TGA、DTA)和 X 射线衍射测量进行表征。与布洛芬(0.04 毫克/毫升)相比,IBU-CYS 1 和 IBU-CYS 2 在水中的溶解度更高(6.11 和 7.81 毫克/毫升)。IBU-CYS2 被封装在甲基丙烯酸 2-羟乙基酯:聚(乙二醇)丙烯酸酯水凝胶中,以增强给药效果。在 PBS(pH 值为 7.4)中进行的体外研究表明,这些盐类能有效缓解脂多糖在 RAW264.7 巨噬细胞中诱导的炎症反应(IBU-CYS 1、IBU-CYS 2 和布洛芬的亚硝酸盐抑制率分别约为 34.29、27.03 和 31.50),同时表明它们没有细胞毒性。因此,这些盐类有可能成为开发该药物有效制剂的候选物质。
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引用次数: 0
Conversion of Cellobiose to Formic Acid as a Biomass-Derived Renewable Hydrogen Source Using Solid Base Catalysts 使用固体基催化剂将纤维生物糖转化为甲酸,作为生物质衍生的可再生氢源。
IF 2.5 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-07 DOI: 10.1002/open.202400079
Ikuto Yoshiki, Prof. Atsushi Takagaki, Dr. Jun Tae Song, Prof. Motonori Watanabe, Prof. Tatsumi Ishihara

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, CaO2 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.

甲酸被认为是一种很有前途的氢载体。生物质甲酸可通过氧化分解糖类获得。本研究探讨了在温和的反应条件下,使用异质催化剂从纤维生物糖(一种由通过 β-糖苷键连接的 d-葡萄糖组成的双糖)中生产甲酸的方法。在过氧化氢存在下,使用碱土金属氧化物固体碱催化剂(如 CaO 和 MgO)可在 343 K 下从纤维生物糖中提取甲酸。虽然 CaO 的甲酸产率为 14%,但氧化物本身在反应后会转化为有害的过氧化金属 CaO2。与此相反,氧化镁可以生成甲酸,而不会形成金属过氧化物。使用这些固体碱催化剂很难从纤维生物糖中选择性地合成甲酸,这是因为纤维生物糖很难转化为葡萄糖。使用固体酸和固体碱催化剂的组合,在温和的反应条件下获得了 33% 的甲酸高产率,这是由于固体酸将纤维生物糖定量水解为葡萄糖,然后固体碱将葡萄糖选择性地分解为甲酸。
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引用次数: 0
Front Cover: Quantitative Spermidine Detection in Cosmetics using an Organic Transistor-Based Chemical Sensor (ChemistryOpen 10/2024) 封面:利用基于有机晶体管的化学传感器定量检测化妆品中的精胺(ChemistryOpen 10/2024)
IF 2.5 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-07 DOI: 10.1002/open.202481001
Dr. Yui Sasaki, Kohei Ohshiro, Miyuki Kato, Hikaru Tanaka, Akari Yamagami, Dr. Kazutake Hagiya, Prof. Dr. Tsuyoshi Minami

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).

一种基于扩展栅极型有机晶体管的化学传感器装置,以金表为图示,可以在 μmol L-1 的水平上对化妆品中的目标亚精胺进行定量。基于有机晶体管的化学传感器的准确性已通过一台稳定的分析仪器进行了验证。因此,商业化妆品成分产品中亚精胺的准确回收率揭示了该传感器在化妆品分析方面的潜力。更多信息,请参阅 Tsuyoshi Minami 及其合作者的研究文章(DOI: 10.1002/open.202400098)。
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引用次数: 0
Green Synthesis of Zinc Oxide Nanoparticles Using Dillenia Indica and Mikania Micrantha Leaf Extracts: Applications in Photocatalysis and Antibacterial Activity. 利用印度莳萝和薇甘菊叶提取物绿色合成纳米氧化锌颗粒:光催化和抗菌活性中的应用。
IF 2.5 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-10-02 DOI: 10.1002/open.202400102
Protap Kumar Pal, Md Sarifujjaman, Prianka Saha, S M Mahbubur Rahman, Md Emdadul Islam, Bashir Ahmmad, Kaykobad Md Rezaul Karim, Md Mahiuddin

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-1 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.

研究人员对利用植物资源开发金属基纳米粒子非常感兴趣,因为它们环保、成本低且更简单。本研究利用 D. indica 和 M. micrantha 的叶片分别合成了氧化锌纳米粒子(D-ZnONPs 和 M-ZnONPs),并研究了它们对各种细菌菌株生长抑制和光催化的影响。傅立叶变换红外光谱在紫外-可见光波长 373 纳米处显示出独特的表面等离子体共振(SPR)波段,在 450-480 cm-1 处显示出与 Zn-O 伸展相应的波段,从而证明了 ZnONPs 的形成。经电子显微镜确认,生成的 ZnONPs 呈球形,平均粒径为 30 纳米,也证实了其结晶性。在自然日光下,两种 ZnONPs 在 100 分钟内对亚甲蓝(MB)的降解效率都达到了 96-99% 左右。此外,值得注意的是,与抗生素相比,两种合成的 ZnONPs 在抑制各种病原菌菌株生长方面的功效均为 55-60%。总之,可以利用植物资源大规模生产 ZnONPs,并将其作为主要成分用于环境修复和化妆品行业。
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引用次数: 0
New Tricyclic Aryl Quinazoline Derivatives by Suzuki-Miyaura Cross-Coupling. 通过 Suzukii-Miyaura 交叉偶联生成新的三环芳基喹唑啉衍生物。
IF 2.5 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-09-27 DOI: 10.1002/open.202400197
Burkhon Elmuradov, Rasul Okmanov, Bakhromjon Juraev, Gerald Dräger, Holger Butenschön

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.

报告了一些新的脱氧鸭嘴花碱酮(2,3-二氢吡咯并[2,1-b]喹唑啉-9(1H)-酮)和麦金唑啉酮(6,7,8,9-四氢-11H-吡啶并[2,1-b]喹唑啉-11-酮)衍生物,这些衍生物在 C7/C8 和 C5 处具有芳基取代基。这些化合物是同类化合物中罕见的代表,它们是以醋酸钯为催化剂,通过 7-溴-2,3-二氢[2,1-b]喹唑啉-9-(1H)-酮、5,7-二溴-2,3-二氢[2,1-b]喹唑啉-9-(1H)-酮或 8-溴ackinazolinone 与各自的芳硼酸之间的 Suzuki-Miyaura 交叉偶联反应高产制备的。对六种产物进行了光谱分析和 X 射线晶体结构分析。
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引用次数: 0
Time-of-Flight Secondary Ion Mass Spectrometry Revealing the Organocatalyst Distribution in Functionalized Silica Monoliths 飞行时间二次离子质谱法揭示功能化二氧化硅单片中的有机催化剂分布。
IF 2.5 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-09-27 DOI: 10.1002/open.202400199
Raoul D. Brand, Dr. Julia S. Schulze, Dr. Anja Henss, Prof. Bernd M. Smarsly

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.

层状多孔整体二氧化硅有望成为固定化有机催化剂的载体材料。传统的分析方法通常包括物理吸附、红外光谱和元素分析等,以阐明材料的孔隙空间和功能化程度。然而,这些方法并不能得出有机物在整体反应器内的空间分布信息。在这项工作中,采用了飞行时间二次离子质谱法来表征有机功能化二氧化硅单片的表面。分析了 4-二甲氨基吡啶官能化二氧化硅单片的横截面,并将结果与相同材料的物理吸附和元素分析实验进行了比较。通过这种方法,可以深入了解催化剂的径向分布,这可能有助于解释这种反应器在异相流催化中的性能。
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引用次数: 0
Impact of Ligand Design on an Iron NHC Epoxidation Catalyst 配体设计对铁 NHC 环氧化催化剂的影响
IF 2.3 4区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-09-24 DOI: 10.1002/open.202400071
Tim P. Schlachta, Greta G. Zámbó, Michael J. Sauer, Isabelle Rüter, Fritz E. Kühn
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−1 and TON of ca. 700 at 60 °C with Sc(OTf)3 as additive.
利用苯并咪唑分子扩展了一种开链铁吡啶-NHC 框架。这种新的铁(II) NHC 复合物的特点是可用于烯烃环氧化反应。它具有显著的耐温性,在以 Sc(OTf)3 为添加剂的 60 °C 条件下,TOF 约为 10 000 h-1,TON 约为 700。
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引用次数: 0
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