Results in Chemistry最新文献_第8页

Investigating the role of Ziziphus Jujuba in the development of bentonite-AgNPs composites for advanced bioactive applications 研究酸枣在膨润土- agnps复合材料的先进生物活性应用中的作用

IF 4.2 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2026-01-10 DOI: 10.1016/j.rechem.2026.103041

Saiqa Nazir , Bushra Hafeez Kiani , Qaisar Abbas Bhatti , Khawaja Shafique Ahmad , Rajwali Khan , Sattam Al Otaibi , Khaled Althubeiti , Sadaf Kayani , Shahzad Akber Khan

Though the effects of the individual components plant extract (Ziziphus jujuba roots, stems, leaves, and fruit), biosynthesized silver nanoparticles (AgNPs), and healing clay (bentonite) as antibacterial, antioxidant, and antitumor agents have been documented, their combined action as a ternary system is a novel strategy. The purpose of this study is to examine how the suggested ternary system performs against particular human infections.

This research paper reports the combined effects of silver nanoparticles obtained from Ziziphus jujuba roots, stems, leaves, and fruit extracts on antibacterial, antioxidant, and antitumor activity. The transition in color from yellowish to dark brown in the extract indicated the synthesis of silver nanoparticles. UV–Vis spectroscopy studies of the extract showed absorption at 330–500 nm. FTIR spectroscopy has shown that alcohol, aromatic compounds, ethers, and esters played a primary role in the synthesis of silver nanoparticles from the precursor, followed by the capping of the AgNPs. The XRD pattern showed that the nanoparticles ranged in size from 20 to 40 nm to an average size of 30 nm and were spherical in morphology, as confirmed by the SEM images. The AgNPs obtained from roots and bentonite clay showed strong antibacterial and antifungal activity with zone of inhibition 8-12 mm and 4-28 mm, respectively. Bentonite clay showed strong antitumor and antioxidant activity with IC₅₀ values 24.83 μg/ml and 123.36 μg/ml, respectively. Among different AgNPs of plant extracts, Root has shown the highest antitumor and antioxidant potential with IC₅₀ values 105.03 μg/ml and 138.68 μg/ml, respectively. In summary, the bentonite clay and the examined AgNPs showed a remarkable increase in their pharmacological activities in the order bentonite clay> AgNPs> crude extracts. The inclusion of these discoveries will be helpful in achieving the growing demand for compounds of pharmacological importance.

虽然单个成分植物提取物（酸枣根、茎、叶和果实）、生物合成银纳米粒子（AgNPs）和愈合粘土（膨润土）作为抗菌、抗氧化和抗肿瘤药物的作用已经被记录下来，但它们作为一个三联体系的联合作用是一种新的策略。本研究的目的是研究建议的三元系统如何对抗特定的人类感染。本研究报道了从酸枣根、茎、叶和果实提取物中提取的纳米银对抗菌、抗氧化和抗肿瘤活性的联合作用。萃取物的颜色从淡黄色到深棕色的转变表明银纳米颗粒的合成。紫外可见光谱研究表明，提取物在330 ~ 500 nm处有吸收。FTIR光谱显示，醇、芳香族化合物、醚和酯在前体合成银纳米粒子的过程中起主要作用，其次是AgNPs的盖层。XRD谱图表明，纳米颗粒的粒径范围为20 ~ 40 nm，平均粒径为30 nm，形貌呈球形。从根和膨润土中获得的AgNPs具有较强的抗菌和抗真菌活性，抑制区分别为8 ~ 12 mm和4 ~ 28 mm。膨润土具有较强的抗肿瘤和抗氧化活性，IC50值分别为24.83 μg/ml和123.36 μg/ml。在不同AgNPs的植物提取物中，根的抗肿瘤和抗氧化能力最强，IC50值分别为105.03 μg/ml和138.68 μg/ml。综上所述，膨润土和所测AgNPs的药理活性均以膨润土AgNPs粗提物的顺序显著增加。这些发现的纳入将有助于实现对具有药理重要性的化合物日益增长的需求。

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引用次数: 0

The recent advances of graphene/Co3O4 composites for rechargeable zinc–air batteries 可充电锌空气电池用石墨烯/Co3O4复合材料的研究进展

IF 4.2 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2026-01-10 DOI: 10.1016/j.rechem.2026.103050

Abrham Sendek Belete , Delele Worku Ayele , Minbale Admas Teshager , Addisu Alemayehu Assegie , Ababay Ketema Worku

Rechargeable zinc-air batteries (ZABs) are becoming the most popular option for energy storage devices for electronic devices and electric vehicles because of its high theoretical specific energy density, abundance, affordability, and environmental friendliness. Nevertheless, ZABs need inexpensive, ecologically safe, and highly effective oxygen catalysts. Because of their good electrochemical activity, high theoretical specific capacitance, non-toxicity, and relatively inexpensive cost, cobalt-based materials particularly Co₃O₄ and its composites have gained popularity as ZAB electrode materials over the past ten years. Furthermore, the development of energy devices investigates the special structure and characteristics of two-dimensional graphene-based materials. The applications of graphene, a two-dimensional monolayer planar sheet of sp²-bonded carbon atoms, have undergone a revolution in recent years due to its exceptional unique properties, which include a large specific surface area, remarkable thermal and electronic conductivity, mechanical strength and physicochemical properties. Henc, this review focuses the recent developments on designing of graphene/Co₃O₄ composites and their application for ZABs. A summary of Co₃O₄'s electrochemical benefits as a electrode material is provided, along with numerous examples. Future research directions are suggested, along with a discussion of the ongoing difficulties in investigating graphene/Co₃O₄ composite materials as effective ZAB electrodes.

可充电锌空气电池（ZABs）因其理论比能量密度高、储量丰富、价格合理、环保等优点，正成为电子设备和电动汽车中最受欢迎的储能设备。然而，ZABs需要廉价、生态安全、高效的氧催化剂。钴基材料，特别是Co3O4及其复合材料，由于其良好的电化学活性、较高的理论比电容、无毒性和相对便宜的成本，在过去的十年中作为ZAB电极材料得到了广泛的应用。此外，能源器件的发展研究了二维石墨烯基材料的特殊结构和特性。石墨烯是一种由sp2键合碳原子组成的二维单层平面片状材料，近年来其应用经历了一场革命，因为它具有独特的性能，包括大的比表面积，卓越的导热性和导电性，机械强度和物理化学性能。因此，本文综述了近年来石墨烯/Co3O4复合材料的设计及其在ZABs中的应用。总结了Co3O4作为电极材料的电化学效益，并提供了许多例子。提出了未来的研究方向，并讨论了石墨烯/Co3O4复合材料作为有效ZAB电极的研究难点。

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引用次数: 0

A sustainable supramolecular deep eutectic solvent system for dispersive liquid–liquid microextraction followed by HPLC for the determination of melamine in milk samples 一种可持续的超分子深度共溶溶剂体系用于分散液液微萃取-高效液相色谱法测定牛奶样品中的三聚氰胺

IF 4.2 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2026-01-10 DOI: 10.1016/j.rechem.2026.103057

Modar Sadek , Nazira Sarkis , George Jangi

This work presents the development and application of an innovative green supramolecular deep eutectic solvent (SUPRADES)-based DLLME approach for the extraction and quantification of melamine in milk matrices. For this purpose, thymol and nonanoic acid were combined to create a hydrophobic DES, which was then utilized as the extraction solvent. Additionally, a ternary SUPRADES based on a hydrophilic DES composed of choline chloride and ethylene glycol and doped with β-cyclodextrin (β-CD) was prepared and applied as the disperser solvent. Critical parameters were optimized systematically, yielding the following optimal conditions: Extraction solvent volume: 150 μL; disperser solvent: 600 μL; β-CD: 1% (w/v); pH: 7; extraction time: 1 min; and sample solution volume: 5 mL. Interestingly, the salting-out step did not affect the extraction efficiency. The optimized approach showed good linearity (100–900 ng/mL) with R² = 0.998 when validated with matrix-matched calibration standards. The LOD and LOQ were 27 and 81 ng/mL, respectively, and the enrichment factor was 41. Method accuracy and precision were evaluated through recovery studies using milk samples fortified with melamine at three concentration levels (200, 500, and 800 ng/mL), and the recovery values were obtained in the range of 92–107%, with RSD < 5%. A greenness score of 79 was attained by the method, as quantified by the advanced ComplexMoGAPI. Lastly, this technique was successfully applied to extract and determine melamine in real samples of powdered milk, infant formula, and raw milk with acceptable and satisfactory results.

这项工作提出了一种创新的绿色超分子深度共熔溶剂（SUPRADES）为基础的DLLME方法的发展和应用，用于提取和定量牛奶基质中的三聚氰胺。为此，将百里香酚和壬酸结合形成疏水DES，然后将其用作提取溶剂。此外，制备了以氯化胆碱和乙二醇为基料，掺杂β-环糊精（β-CD）的亲水性DES为基础的三元SUPRADES作为分散溶剂。对关键参数进行系统优化，得到最佳提取条件：提取溶剂量：150 μL；分散溶剂：600 μL；β-CD: 1% (w/v)；pH值:7;提取时间：1 min；样品溶液体积：5ml。有趣的是，盐析步骤对提取效率没有影响。优化后的方法在100 ~ 900 ng/mL范围内线性良好，R2 = 0.998。定量限和定量限分别为27和81 ng/mL，富集因子为41。通过对添加三聚氰胺的牛奶样品在200、500和800 ng/mL三种浓度水平下的回收率研究，评价了方法的准确度和精密度，回收率为92 ~ 107%，RSD为5%。通过先进的ComplexMoGAPI量化，该方法获得了79分的绿色评分。最后，该技术成功地应用于奶粉、婴儿配方奶粉和原料奶实际样品中的三聚氰胺提取和测定，结果令人满意。

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引用次数: 0

Synergistic effects of the zeolite support and semiconductor coupling in the enhanced photodegradation kinetics of malachite green and Congo red aqueous mixture 沸石载体和半导体耦合对孔雀石绿和刚果红水溶液光降解动力学增强的协同作用

IF 4.2 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2026-01-10 DOI: 10.1016/j.rechem.2026.103053

Nasrin Zamani-Faradanbeh, Alireza Nezamzadeh-Ejhieh

This study investigates the photodegradation of malachite green (MG) and congo red (CR) in an aqueous mixture using the photocatalytic effect of CuO-ZnO supported on clinoptilolite nanoparticles (NCP) under direct illumination from a mercury lamp. FTIR, DRS, TEM, and XRD were used to characterize the samples. The photodegradation activity varied with the amount of CuO and ZnO, and the best activity was observed for CuO_9.2-ZnO_3.8-NCP, with a crystallite size of 30–50 nm estimated by the Scherrer equation. Typical stretching and bending bands of O-Si-O and O-Al-O have appeared at 108cm−1 cm⁻¹ and 480 cm⁻¹, while CuO and ZnO showed bands at 635 cm⁻¹ and 683 cm⁻¹ in the FTIR spectrum of CuO_9.2-ZnO_3.8- NCP. The effects of various variables, including the amount of loaded CuO and ZnO, initial dye concentration, catalyst dose, and solution pH, were investigated kinetically using the pseudo-first-order model. Corresponding rate constants were estimated in each case and compared in the text. The optimal values were 0.2 g/L of catalyst and 10 mg/L of each CR or MG dye in the mixture at pH 4.5, resulting in 82% and 92% photodegradation efficiency for MG and CR dyes, respectively. The effects of NaCl, NaHCO₃, Na₂SO₄, and hydrogen peroxide were also investigated, and the results showed a decrease in overall efficiency in their presence, especially at higher concentrations, suggesting the following trend in the relative roles of the reactive species in the CR/MG mixture photodegradation. Photogenerated holes> Photogenerated electrons> hydroxyl radicals> superoxide radicals.

本文研究了在汞灯直接照射下，斜发沸石纳米颗粒（NCP）负载CuO-ZnO光催化降解水中孔雀石绿（MG）和刚果红（CR）。采用FTIR、DRS、TEM、XRD对样品进行表征。CuO和ZnO的用量不同，CuO9.2-ZnO3.8-NCP的光降解活性最好，根据Scherrer方程估计其晶粒尺寸为30-50 nm。在CuO9.2-ZnO3.8- NCP的FTIR光谱中，O-Si-O和O-Al-O在108cm−1 cm−1和480 cm−1处出现了典型的拉伸和弯曲带，而CuO和ZnO在635 cm−1和683 cm−1处出现了典型的拉伸和弯曲带。采用拟一阶模型，考察了CuO和ZnO负载量、初始染料浓度、催化剂剂量和溶液pH等因素的动力学影响。在每种情况下估计了相应的速率常数，并在文中进行了比较。在pH 4.5的条件下，催化剂用量为0.2 g/L，每种CR或mg染料用量为10 mg/L， mg和CR染料的光降解效率分别为82%和92%。NaCl、NaHCO3、Na2SO4和过氧化氢对CR/MG混合物光降解的影响也进行了研究，结果表明，在它们的存在下，总效率下降，特别是在较高的浓度下，这表明反应物质在CR/MG混合物光降解中的相对作用有以下趋势。光生空穴；光生电子；羟基自由基；超氧自由基。

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引用次数: 0

Tailoring ZnO thin films via ALD: Impact of cycle number on structural, optical, wettability, photocatalytic and morphological properties ALD裁剪ZnO薄膜：循环次数对结构、光学、润湿性、光催化和形态性能的影响

IF 4.2 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2026-01-09 DOI: 10.1016/j.rechem.2026.103036

Khaoula Settara , Ștefan Țălu , Rachid Amrani , Halil I. Akyildiz , Burak Sozen , Hocine Akkari , Niranjan Patra , Lokmane Abdelouahed , Fouaz Lekoui

Zinc oxide (ZnO) thin films were deposited on glass substrates by atomic layer deposition (ALD), with the number of cycles varied from 50 to 500 to control film growth and properties. The thickness increased from 12.5 to 100.75 nm with increasing cycle number. X-ray diffraction and Raman spectroscopy revealed a structural evolution from amorphous to polycrystalline wurtzite ZnO, accompanied by enhanced crystallinity at higher cycles. Atomic force microscopy showed a non-linear variation in surface roughness, with a maximum at 100 cycles and a minimum at 500 cycles, along with an increased fractal dimension (FD = 2.753). Optical transmittance in the visible region decreased from over 91% to 78.6%, while the optical band gap widened from 3.23 to 3.42 eV. The refractive index increased with deposition cycles, indicating improved film density. Contact angle measurements revealed a transition from hydrophilic to hydrophobic behavior, attributed to smoother surfaces and reduced surface energy. Photocatalytic degradation of methylene blue under UV illumination reached a maximum efficiency of 33% at 250 cycles, due to an optimal balance between grain size, surface roughness, and defect density. Kinetic analysis followed a pseudo-second-order model (R² ≈ 1), suggesting surface-controlled reaction kinetics. These results highlight the effectiveness of ALD cycle tuning for optimizing ZnO thin films for photocatalytic and optoelectronic applications.

采用原子层沉积法（ALD）在玻璃衬底上沉积氧化锌（ZnO）薄膜，循环次数为50 ~ 500次，以控制薄膜的生长和性能。随着循环次数的增加，厚度从12.5 nm增加到100.75 nm。x射线衍射和拉曼光谱揭示了ZnO结构从无定形到多晶纤锌矿的演变，并伴随着更高周期的结晶度增强。原子力显微镜显示表面粗糙度呈非线性变化，在100次循环时最大，500次循环时最小，分形维数增加（FD = 2.753）。可见光区的透光率从91%以上下降到78.6%，带隙从3.23 eV扩大到3.42 eV。折射率随沉积周期的增加而增加，表明薄膜密度的提高。接触角测量揭示了从亲水到疏水行为的转变，归因于光滑的表面和减少的表面能。由于颗粒尺寸、表面粗糙度和缺陷密度之间的最佳平衡，在紫外线照射下光催化降解亚甲基蓝的效率在250次循环中达到33%的最大值。动力学分析遵循伪二阶模型（R2≈1），表明反应动力学由表面控制。这些结果突出了ALD循环调谐在优化ZnO薄膜光催化和光电子应用中的有效性。

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引用次数: 0

Copper oxide nanoparticles with Sulfur-doped graphitic carbon nitride nanocomposite and its catalytic dye degradation 含硫石墨氮化碳纳米复合材料及其催化染料降解研究

IF 4.2 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2026-01-09 DOI: 10.1016/j.rechem.2026.103054

Magegn Mandado, Kassim Kedir, Dereje Dadi, Shimeles Addisu Kitte

In this work, a composite of copper oxide and graphitic carbon nitride (CuO/S-g-C₃N₄ NCs) were synthesized and their capacity to photocatalytically degrade methylene blue (MB) under visible light was assessed. CuO/S-g-C₃N₄ NCs were synthesized by combining thermally polymerized S-g-C₃N₄ with chemically precipitated CuO nanoparticles (CuO NPs) and characterized by UV–Vis, XRD, FT-IR, and SEM. Compared to pure CuO (2.72 eV) and S-g-C₃N₄ (2.56 eV), the UV–Vis measurements verified a smaller band gap of 2.45 eV for CuO/S-g-C₃N₄ NCs, suggesting better absorption of visible light. Under optimal experimental conditions (pH 10, 0.1 g/L catalyst dose, 10 mg/L dye concentration), photocatalytic tests demonstrated that the CuO/S-g-C₃N₄ NCs exceeded the individual photocatalysts, achieving 95.1% degradation in 80 min. The greater photocatalytic performance is ascribed to effective electron–hole separation and less recombination due to the heterojunction interface. Reusability experiments confirmed the structural integrity of catalyst by showing consistent performance across several cycles. Generally, CuO/S-g-C₃N₄ NCs exhibit great promise as effective photocatalysts for the treatment of wastewater under visible light.

本文合成了一种由氧化铜和石墨氮化碳组成的复合材料（CuO/S-g-C3N4 NCs），并对其在可见光下光催化降解亚甲基蓝（MB）的能力进行了研究。采用化学沉淀CuO纳米颗粒（CuO NPs）与S-g-C3N4热聚合合成CuO/S-g-C3N4纳米颗粒，并用UV-Vis、XRD、FT-IR和SEM对其进行了表征。与纯CuO （2.72 eV）和S-g-C3N4 （2.56 eV）相比，紫外-可见测量证实CuO/S-g-C3N4的禁带宽度较小，为2.45 eV，表明CuO/S-g-C3N4对可见光的吸收更好。在最佳实验条件下（pH为10，催化剂剂量为0.1 g/L，染料浓度为10 mg/L），光催化测试表明，CuO/S-g-C3N4 NCs在80 min内达到95.1%的降解效果，超过了单个光催化剂。较好的光催化性能归因于有效的电子-空穴分离和较少的异质结界面复合。重复使用实验证实了催化剂的结构完整性，在多个循环中表现出一致的性能。一般来说，CuO/S-g-C3N4 NCs作为可见光下处理废水的有效光催化剂具有很大的前景。

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引用次数: 0

Synthesis and valuation of Mg2+ and Zr4+co-doped TiO2 nanomaterial photocatalyst for antibacterial activity against Escherichia coli bacteria under visible light irradiation Mg2+和Zr4+共掺杂TiO2纳米光催化剂的合成及在可见光下对大肠杆菌的抑菌活性评价

IF 4.2 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2026-01-09 DOI: 10.1016/j.rechem.2026.103037

Desta Shumuye Meshesha

In this study, visible light-active Mg²⁺/Zr⁴⁺- co-doped TiO₂ nanoparticles (NPs) for enhanced visible antibacterial activity. The sol-gel technique was used to synthesize the nanocrystalline Mg²⁺/Zr⁴⁺- co-doped TiO₂ NPs. The crystalline structure, surface composition and morphology of doped and undoped TiO₂ NPs were characterized by powder X-ray diffraction (XRD), scanning electron microscope (SEM) and transmission electron (TEM) instrumentations. The very weak intensity peak of the rutile phase besides to anatase was observed by powder XRD this ascribed the formation of insignificant mixed phase crystal patterns of TiO₂. The average crystallite size was found to be 22.5 and 5.2 nm for undoped and co-doped TiO₂ NPs. The successful doping of Mg^2+/Zr⁴⁺ was further illustrated by the redshift of UV–Visible Diffuse Reflectance Spectroscopy (UV-DRS) absorption spectrum of co-doped TiO₂ NPs than pure TiO₂. The spherical shape of co-doped TiO₂ NPs was observed under SEM and TEM images. Moreover, selected area electron diffraction (SAED) of Co-doped TiO₂ NPs shows a high degree of crystallinity. Photoluminescence study with co-doped nanomaterial shows enhanced generation of hydroxyl radicals in turn the key oxidative species in the photocatalytic reaction. The enhanced visible light photocatalytic performance of co-doped TiO₂ was observed over undoped hence co-doping converts TiO₂ into an efficient visible-light-active antibacterial material by augmenting charge separation and generation of ROS, ensuing in superior bactericidal performance activity of E. coli. The results showed that Mg²⁺/Zr⁴⁺-TiO₂ NPs are very effective, visible-light active catalysts toward the photo degradation of antibacterial activity of E-coli than pure TiO₂ under visible light irradiation.

在本研究中，可见光活性Mg2+/Zr4+-共掺杂TiO2纳米粒子（NPs）增强了可见光抗菌活性。采用溶胶-凝胶法制备了Mg2+/Zr4+共掺杂纳米TiO2 NPs。采用粉末x射线衍射（XRD）、扫描电子显微镜（SEM）和透射电子（TEM）等仪器对掺杂和未掺杂的TiO2 NPs的晶体结构、表面组成和形貌进行了表征。粉末XRD分析发现，除锐钛矿外，金红石相存在极弱的强度峰，这说明TiO2形成了不明显的混合相晶型。未掺杂和共掺杂的TiO2 NPs的平均晶粒尺寸分别为22.5 nm和5.2 nm。共掺杂TiO2 NPs的紫外-可见漫反射光谱（UV-DRS）吸收光谱比纯TiO2红移进一步说明了Mg2+/Zr4+的成功掺杂。通过扫描电镜和透射电镜观察到共掺杂TiO2纳米粒子呈球形。此外，共掺杂TiO2 NPs的选择区域电子衍射（SAED）显示出较高的结晶度。共掺杂纳米材料的光致发光研究表明，羟基自由基是光催化反应中的关键氧化物质。在未掺杂的情况下，共掺杂TiO2的可见光催化性能得到了增强，因此共掺杂通过增强电荷分离和ROS的生成，将TiO2转化为高效的可见光活性抗菌材料，从而使大肠杆菌具有优异的杀菌活性。结果表明，与纯TiO2相比，Mg2+/Zr4+-TiO2 NPs在可见光照射下对大肠杆菌的光降解抗菌活性具有非常有效的可见光活性。

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引用次数: 0

A simple and cost-effective voltammetric method for the determination of the synthetic hormone 17α-ethinylestradiol in contraceptive pills using a bare glassy carbon electrode 建立了一种简单、经济的测定避孕药中合成激素17α-炔雌醇的玻化碳电极伏安法

IF 4.2 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2026-01-09 DOI: 10.1016/j.rechem.2026.103051

Soňa Slašťanová , Jana Ivánková , Michal Hanko , Jana Blaškovičová , Ľubomír Švorc

A simple, cost-effective and environmentally friendly voltammetric method was developed for the rapid and reliable determination of the synthetic estrogen 17α-ethinylestradiol (EE2) in contraceptive pills using an unmodified glassy carbon electrode (GCE). The electrochemical behavior of EE2 was investigated using cyclic voltammetry and linear sweep voltammetry in Britton-Robinson (BR) buffer over a wide pH range. A pH-dependent, irreversible and diffusion-controlled oxidation mechanism involving a two-proton and two-electron process was confirmed. In BR buffer at pH 4.0, differential pulse voltammetry (DPV) and square-wave voltammetry (SWV) were optimized for EE2 quantification through systematic evaluation of key instrumental parameters such as modulation amplitude, modulation time and frequency. Under optimized DPV conditions, the method achieved high sensitivity (0.08 μA/μM) with a low limit of detection (60 nM), a wide linear concentration range (0.2–80 μM) and good repeatability (with a relative standard deviation of 5.7%). The method was successfully validated and applied to the analysis of three commercial brands of contraceptive pills, yielding recovery values ranging from 95.0 to 101.0% using the optimized DPV technique. Compared with other electroanalytical methods, the proposed protocol, deliberately employing a bare GCE, demonstrates competitive analytical performance without the need for surface modification, highlighting its suitability for simple routine pharmaceutical quality control and its potential in environmental monitoring applications.

建立了一种简单、经济、环保的伏安法，利用未修饰的玻璃碳电极（GCE）快速、可靠地测定避孕药中合成雌激素17α-炔雌醇（EE2）。采用循环伏安法和线性扫描伏安法研究了EE2在布里顿-罗宾逊（BR）缓冲液中在宽pH范围内的电化学行为。证实了一种ph依赖、不可逆、扩散控制的双质子双电子氧化机制。在pH为4.0的BR缓冲液中，通过对调制幅度、调制时间和频率等关键仪器参数的系统评价，优化差分脉冲伏安法（DPV）和方波伏安法（SWV）对EE2定量的影响。在优化的DPV条件下，该方法灵敏度高（0.08 μA/μM），检出限低（60 nM），线性浓度范围宽（0.2 ~ 80 μM），重复性好（相对标准偏差为5.7%）。结果表明，优化后的DPV技术对3种市售避孕药的回收率为95.0 ~ 101.0%。与其他电分析方法相比，该方案故意采用裸GCE，在不需要表面修饰的情况下表现出具有竞争力的分析性能，突出了其适用于简单的常规药物质量控制和环境监测应用的潜力。

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引用次数: 0

Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles via ultrasound-assisted method and in vitro assessment of their anti-inflammatory and Hemocompatibility activity 超声辅助法合成1,2,4,5-四取代咪唑及其体外抗炎和血液相容性评价

IF 4.2 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2026-01-08 DOI: 10.1016/j.rechem.2026.103043

D.A. Hilal, Narjis Hadi Al-Saadi, H.D. Hanoon

The 1,2,4,5-tetrasubstituted imidazole core is increasingly recognized for its broad pharmacological effects, particularly its anti-inflammatory properties. This work employed a one-pot, four-component condensation reaction using benzil, substituted aromatic aldehydes, aromatic amines, and ammonium acetate, catalysed by sulfuric acid, to synthesise a series of tetrasubstituted imidazole derivatives (M1–M10). Ultrasound-assisted synthesis was more efficient than traditional reflux methods, providing shorter reaction times and higher yields. FT-IR, ¹H NMR, ¹³C NMR, and mass spectrometry analyses confirmed the structures of the products. Selected derivatives (M1, M3, M7, and M10) were evaluated for their anti-inflammatory and hemocompatibility properties using proteinase inhibition, albumin denaturation, and hemolysis assays. Diclofenac sodium served as the reference drug for anti-inflammatory tests. Among the synthesized compounds, M10 exhibited the highest activity, with 69.00% protein inhibition and 82.39% inhibition of albumin denaturation at 1000 μg/mL, compared with diclofenac sodium (61.69% and 83.33%, respectively). Compounds M1 and M7 also displayed notable effects, with protein inhibition values of 62.16% and 63.16%, and albumin denaturation inhibition values of 77.12% and 67.67%, respectively. All tested compounds demonstrated excellent hemocompatibility, with hemolysis rates ranging from 0.74% to 2.06%, well below the 5% safety threshold. These results indicate that the synthesized 1,2,4,5-tetrasubstituted imidazole derivatives exhibit significant in vitro anti-inflammatory activity and favorable hemocompatibility, demonstrating the practical effectiveness of the ultrasound-assisted synthesis method.

1,2,4,5-四取代咪唑核心因其广泛的药理作用，特别是其抗炎特性而日益得到认可。本工作采用一锅四组分缩合反应，以苯、取代芳醛、芳胺和乙酸铵为原料，在硫酸催化下合成了一系列四取代咪唑衍生物（M1-M10）。超声辅助合成比传统的回流法更有效，提供更短的反应时间和更高的收率。FT-IR, 1H NMR， 13C NMR和质谱分析证实了产物的结构。选定的衍生物（M1、M3、M7和M10）通过蛋白酶抑制、白蛋白变性和溶血试验评估其抗炎和血液相容性。双氯芬酸钠作为抗炎试验的参考药物。在所合成的化合物中，M10表现出最高的活性，在1000 μg/mL时对蛋白变性的抑制率为69.00%，对白蛋白变性的抑制率为82.39%，而双氯芬酸钠的抑制率分别为61.69%和83.33%。化合物M1和M7对蛋白质的抑制值分别为62.16%和63.16%，对白蛋白变性的抑制值分别为77.12%和67.67%。所有测试的化合物都表现出良好的血液相容性，溶血率在0.74%至2.06%之间，远低于5%的安全阈值。上述结果表明，合成的1,2,4,5-四取代咪唑衍生物具有显著的体外抗炎活性和良好的血液相容性，证明了超声辅助合成方法的实用性。

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引用次数: 0

Excited state proton transfer dynamics of potential natural flavonoid sunscreens: Quercitrin and Hyperoside 潜在天然类黄酮防晒霜：槲皮苷和金丝桃苷的激发态质子转移动力学

IF 4.2 Q2 CHEMISTRY, MULTIDISCIPLINARY

Results in Chemistry

Pub Date : 2026-01-08 DOI: 10.1016/j.rechem.2026.103040

Mengqi Wang, Zibo Wu

In this work, we found the flavonoid molecules: quercitrin and hyperoside have potentiality as ultraviolet (UV) filters for the first time. The steady state spectra and time-dependent density functional theory (TDDFT) were used to prove the excited state intramolecular proton transfer (ESIPT) of the non-radiative relaxation. They are excellent potential UVA sunscreens, and they can also provide some UVB protection. We demonstrated the deactivation via ESIPT can be facilitated by the hydrogen bond strengthening in S₁. In particular, when UV excited, the enol conformation can cross a small barrier to the keto conformation, then the proton transfer process can consumes energy through non-radiative path, and the other small part dissipates through the fluorescence path. Quercetin and hyperoside with a substituent caused 10 nm wavelength change, which opens up a way for the design of new broad-spectrum sunscreens: the adjustable absorption wavelength of sunscreen molecules can be achieved by adjusting the position and number of substituents.

本研究首次发现槲皮苷和金丝桃苷类黄酮分子具有过滤紫外线的潜力。利用稳态谱和时间依赖密度泛函理论（TDDFT）证明了非辐射弛豫的激发态分子内质子转移（ESIPT）。它们是极好的潜在的UVA防晒剂，也可以提供一些UVB防护。我们证明了通过ESIPT的失活可以通过S1中的氢键增强来促进。特别是在紫外线激发下，烯醇构象可以跨越一个小的势垒到达酮构象，那么质子转移过程可以通过非辐射路径消耗能量，另外一小部分通过荧光路径耗散。槲皮素和含取代基的金丝桃苷引起了10 nm波长的变化，这为新型广谱防晒霜的设计开辟了一条途径：通过调整取代基的位置和数量，可以实现防晒霜分子吸收波长的可调。

引用次数: 0