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Nature-Driven N,S-Highly Fluorescent Carbon Dots as Turn-Off Fluorescent Nanosensors for Determination of Tinidazole in Pharmaceutical Dosage Form and in Biological Fluid 自然驱动的N, s高荧光碳点作为关闭荧光纳米传感器用于药物剂型和生物液中替硝唑的测定。
IF 3 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-11-10 DOI: 10.1002/bio.70349
Ahmed A. Shokeer, Fawzia A. Ibrahim, Nora A. Abdallah

This work represents a highly sensitive, low-cost, and eco-friendly method that relies on using onion and lemon juices, which are easily available materials. It depends on the synthesis of highly fluorescent carbon dots (λex/em 350.0–430.0 nm) using a one-step microwave-assisted carbonization method. Characterization of the formed carbon dots was performed using transmission electron microscopy (TEM), Fourier transform infrared (FTIR), Zeta potential analysis, fluorescence spectroscopy UV–Visible spectroscopy, and X-ray photoelectron spectroscopy (XPS). The formed carbon dots appeared to be spherical in shape, with a 2.0- to 3.5-nm average particle size. The synthesized carbon dots were used for the determination of tinidazole by static fluorescence quenching mechanism and inner filter effect. The quenching effect on the synthesized carbon dots' fluorescence signal was utilized for the determination of tinidazole in pure form in concentration samples (2.0–30 μM) with a %recovery of 99.86 ± 1.38 in pure form, 100.0 ± 1.67 in tablet and 99.56 ± 4.18 in urine. The validity of the method was assessed according to the recommendations of the International Conference on Harmonization. The greenness of the method was evaluated using different greenness assessment tools. The proposed probe is eco-friendly due to using water as the only solvent in the absence of other organic solvents.

这项工作代表了一种高灵敏度、低成本和环保的方法,它依赖于使用洋葱和柠檬汁,这些都是容易获得的材料。它依赖于使用一步微波辅助碳化法合成高荧光碳点(λex/em 350.0-430.0 nm)。利用透射电子显微镜(TEM)、傅里叶变换红外光谱(FTIR)、Zeta电位分析、荧光光谱(uv -可见光谱)和x射线光电子能谱(XPS)对形成的碳点进行表征。形成的碳点呈球形,平均粒径为2.0- 3.5 nm。利用静态荧光猝灭机理和内滤效应,将合成的碳点用于替硝唑的测定。利用对合成碳点荧光信号的猝灭作用,对浓度为2.0 ~ 30 μM的样品进行了纯度替硝唑的测定,纯度为99.86±1.38 %,片剂为100.0±1.67 %,尿液为99.56±4.18 %。根据国际协调会议的建议,对该方法的有效性进行了评估。采用不同的绿色度评价工具对该方法的绿色度进行了评价。该探针在没有其他有机溶剂的情况下,只使用水作为溶剂,因此具有环保性。
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引用次数: 0
Structurally Engineered Organic Photosensitizer Enabling Synergistic Photodynamic and Photoacid Therapy via ROS and H+ Co-Generation 结构工程有机光敏剂通过ROS和H+共产实现协同光动力和光酸治疗。
IF 3 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-11-10 DOI: 10.1002/bio.70350
Shasha Wu, Jinhui Wang, Weikang Chen, Hongliang Wang, Zixuan Xu, Zhifang Wu

The development of multiactive photosensitizers integrating the functions of photodynamic therapy (PDT) and photoacid therapy (PAT) provides a new strategy for overcoming tumor drug resistance and enhancing therapeutic efficacy. In this study, we designed and synthesized an organic photosensitizer, CzC, with a twisted molecular structure consisting of carbazole and thiophene linked by covalent bonds. This molecular design endowed CzC with excellent light absorption, good photostability and efficient ROS and H+ release under 365-nm laser irradiation. This bifunctional response mechanism synergistically disrupts intracellular acid–base homeostasis and triggers oxidative stress to promote tumor cell apoptosis. In vitro, CzC showed good cellular uptake, potent ROS/H+ generation, and very low dark toxicity; in vivo in a mouse 4T-1 tumor model, CzC significantly inhibited tumor growth under light activation, and no systemic toxicity or organ damage was observed. This study demonstrates that CzC is an organic photosensitizer with structural designability, photostability, and bimodal therapeutic function, and provides a powerful candidate molecule for next-generation phototherapy.

综合光动力治疗(PDT)和光酸治疗(PAT)功能的多活性光敏剂的开发为克服肿瘤耐药和提高治疗效果提供了新的策略。在本研究中,我们设计并合成了一种由咔唑和噻吩共价键连接的扭曲分子结构的有机光敏剂CzC。这种分子设计使CzC在365nm激光照射下具有优异的光吸收、良好的光稳定性和高效的ROS和H+释放。这种双功能反应机制协同破坏细胞内酸碱平衡,触发氧化应激,促进肿瘤细胞凋亡。在体外,CzC表现出良好的细胞摄取,强大的ROS/H+生成和极低的暗毒性;在小鼠4T-1肿瘤模型中,在光激活下,CzC显著抑制肿瘤生长,未观察到全身毒性或器官损伤。该研究表明,CzC是一种具有结构可设计性、光稳定性和双峰治疗功能的有机光敏剂,为下一代光疗提供了强有力的候选分子。
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引用次数: 0
Probing the Drug–Protein Interactions Using Multi-Spectroscopic Approaches: Characterizing the Interactions of Chromium Picolinate With Bovine Serum Albumin 用多光谱方法探测药物-蛋白质相互作用:表征吡啶甲酸铬与牛血清白蛋白的相互作用。
IF 3 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-11-07 DOI: 10.1002/bio.70346
Nora A. Abdallah, Heba Elmansi, Shahenda M. El-Messery, Fathalla Belal

The binding behavior of the antioxidant supplement chromium picolinate (CPN) with bovine serum albumin (BSA) was examined under simulated physiological conditions using a variety of spectroscopic techniques, including Fourier transform infrared (FTIR), fluorescence, and UV–visible absorption spectroscopy, complemented by molecular docking analyses. Fluorescence quenching studies revealed that the formation of the BSA–CPN complex resulted in the quenching of HSA's intrinsic fluorescence. A portion of the quenching arises from the inner filter effect (IFE), while the remainder occurs through a dynamic mechanism, with a binding affinity of 3.47 × 107 L mol−1 at 298 K. Thermodynamic analysis via the van't Hoff equation provided key parameters, with an enthalpy change (ΔH°) of −238.89 kJ mol−1 and an entropy change (ΔS°) of −671.146 J mol−1 K−1. These values, along with spectral data, suggested that the stability of the BSA–CPN complex was primarily governed by hydrogen bonding and van der Waals forces. Further structural analysis using FTIR and UV–vis spectroscopy pointed out that CPN binding made conformational changes in BSA, particularly altering its secondary structure due to interactions with hydrophobic pocket residues. Competitive binding assays with site-specific probes suggested that CPN is likely binding to BSA at a location analogous to Site I.

利用傅立叶变换红外(FTIR)、荧光和紫外可见吸收光谱等多种光谱技术,并辅以分子对接分析,在模拟生理条件下研究了抗氧化剂补剂吡啶甲酸铬(CPN)与牛血清白蛋白(BSA)的结合行为。荧光猝灭研究表明,BSA-CPN复合物的形成导致HSA的固有荧光猝灭。部分猝灭是由内部过滤效应(IFE)引起的,其余猝灭是通过动力学机制发生的,在298 K时的结合亲和力为3.47 × 107 L mol-1。通过范霍夫方程进行的热力学分析提供了关键参数,焓变(ΔH°)为-238.89 kJ mol-1,熵变(ΔS°)为-671.146 jmol -1 K-1。这些值以及光谱数据表明,BSA-CPN配合物的稳定性主要由氢键和范德华力控制。进一步的FTIR和UV-vis结构分析表明,CPN结合使BSA的构象发生了变化,特别是由于与疏水口袋残基的相互作用而改变了其二级结构。用位点特异性探针进行的竞争性结合试验表明,CPN可能在类似于Site I的位置与BSA结合。
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引用次数: 0
Mo4+-Doped Cs4ZnBi2Cl12 Lead-Free Double Perovskite for Near-Infrared Luminescence Mo4+掺杂Cs4ZnBi2Cl12无铅双钙钛矿近红外发光研究
IF 3 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-11-06 DOI: 10.1002/bio.70352
Jiahong Li, Zhan Du, Xiaoshuang Li, Limin Zhang, Liangyi Gu, Daxi Pan, Jingrui Zhang, Bo Wang

This study presents the synthesis of Mo4+-doped Cs4ZnBi2Cl12 double perovskite through a hydrothermal method, demonstrating efficient near-infrared (NIR) emission at 1110 nm with a full width at half maximum (FWHM) of 45 nm. The emission originates from the d-d transition of Mo4+ ions within an octahedral crystal field. Structural analysis using powder X-ray diffraction (PXRD) confirms the phase purity and lattice contraction as a result of Mo4+ substitution at Bi3+ sites, supported by X-ray photoelectron spectroscopy (XPS) and elemental mapping. The material exhibits broad excitation compatibility (348–590 nm) and achieves a photoluminescence quantum yield (PLQY) of 45.3% with a microsecond-scale lifetime of 6.78 μs. Thermal stability tests demonstrate sustained emission intensity (58% at 420 K) and resilience to prolonged heating or UV exposure. This work highlights Mo4+-doped Cs4ZnBi2Cl12 as a stable and efficient NIR emitter, advancing lead-free perovskites for optoelectronic applications in bioimaging, agriculture, and sensing.

本研究采用水热法合成了Mo4+掺杂的Cs4ZnBi2Cl12双钙钛矿,在1110 nm处具有高效的近红外(NIR)发射,全宽半宽(FWHM)为45 nm。发射源于Mo4+离子在八面体晶体场内的d-d跃迁。通过x射线光电子能谱(XPS)和元素图分析,粉末x射线衍射(PXRD)证实了Bi3+位上Mo4+取代导致的相纯度和晶格收缩。该材料具有较宽的激发相容性(348 ~ 590 nm),光致发光量子产率(PLQY)为45.3%,微秒级寿命为6.78 μs。热稳定性测试显示持续的发射强度(在420 K时为58%)和对长时间加热或紫外线暴露的弹性。这项工作强调了Mo4+掺杂Cs4ZnBi2Cl12作为一种稳定高效的近红外发射器,推进了无铅钙钛矿在生物成像、农业和传感领域的光电应用。
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引用次数: 0
Self-Activated Cubic Magnesium Stannate Afterglow Phosphors With Widely Distributed Traps for Dynamic Information Multiplexing and Encryption 具有广泛分布陷阱的自激活立方锡酸镁余辉荧光粉用于动态信息复用和加密。
IF 3 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-11-06 DOI: 10.1002/bio.70333
Wenjie Wang, Jianing Xue, Xia Wang, Yongsheng Wang, Zhenbin Wang

Through performance regulation of long afterglow luminescent materials (color, decay time of afterglow, and regulation of excitation mode), the multifunctional applications in bio-labeling and information encryption fields have been extensively developed. At present, a common approach is to regulate the afterglow performance by adjusting the trap concentration, but the effect is limited. Therefore, regulating the trap distribution of long afterglow luminescent materials is considered an effective means of controlling its performance. Herein, a series of Mg2-xZnxSnO4 (x = 0, 0.25, 0.5, 0.75, and 1) powder samples were prepared. As can be seen from the afterglow decay spectra, materials exhibited cyan photoluminescence under the excitation wavelength of 254 nm. Meanwhile, in the process of trap regulation, we controlled the distribution of traps by adjusting the doping concentration of Zn2+, thus obtaining trap adjustable materials. The proportion of shallow traps gradually enhances with the increase of the concentration of Zn2+. Lastly, only shallow traps remain in Mg1.25Zn0.75SnO4 and MgZnSnO4 samples. In order to demonstrate the feasibility of phosphors for anti-counterfeiting, we create two optical devices. The dynamic information encryption of numbers and patterns was achieved. This dynamic luminescence phosphor shows important potential in anti-counterfeiting and information encryption.

通过对长余辉发光材料的性能调控(余辉颜色、余辉衰减时间、激发方式调控),广泛开发了长余辉发光材料在生物标记、信息加密等领域的多功能应用。目前常用的方法是通过调节捕集器浓度来调节余辉性能,但效果有限。因此,调节长余辉发光材料的陷阱分布被认为是控制其性能的有效手段。制备了一系列Mg2-xZnxSnO4 (x = 0, 0.25, 0.5, 0.75, 1)粉末样品。从余辉衰减光谱可以看出,在254 nm激发波长下,材料呈现青色光致发光。同时,在陷阱调节过程中,我们通过调整Zn2+掺杂浓度来控制陷阱的分布,从而获得陷阱可调节材料。随着Zn2+浓度的增加,浅层圈闭的比例逐渐增大。最后,Mg1.25Zn0.75SnO4和MgZnSnO4样品中只存在浅陷阱。为了证明荧光粉防伪的可行性,我们制作了两个光学器件。实现了数字和模式的动态信息加密。这种动态发光荧光粉在防伪和信息加密方面具有重要的应用潜力。
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引用次数: 0
The Convenient Use of Fluorescamine for Spectrofluorimetric Quantitation of Novel Antibiotic Drug Lefamulin (Xenleta) in Pure Form, Pharmaceutical Formulation and Spiked Biological Fluid; Application to Content Uniformity Testing and Evaluation of Method Greenness 荧光胺在新型抗生素药物利福霉素(Xenleta)纯、制剂及加标生物液荧光定量中的便捷应用在含量均匀性检测及方法绿色评价中的应用。
IF 3 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-11-06 DOI: 10.1002/bio.70340
Hesham Salem, Dina Z. Mazen, Amr Hesham, Nadeen Emad, Basmala M. Bahaa, Aya A. Mohamed, Mohamed Gamal Eldeen, Basmala Sayed, Amany Abdelaziz

This study demonstrates the creation and verification of a selective and sensitive spectrofluorometric approach for the quantification of lefamulin via its reaction at pH 7.5 with fluorescamine, utilizing borate buffer to yield a highly luminous result. The fluorescence intensity of the resultant product was quantified at 480 nm following illumination at 390 nm. The experimental variables affecting the production, stability, and fluorescence intensity of the resultant product were examined and optimized. The proposed approach demonstrated linearity within the concentration range of 50 to 1500 ng/mL; 48.57 and 16.03 ng/mL were the quantitation and detection limits, respectively. Pharmaceutical tablets of lefamulin were successfully evaluated in dosage form and spiked biological fluid, and the suggested approach has been validated in accordance with the International Council for Harmonization (ICH) criteria. Additionally, the approach was used to examine the content uniformity in accordance with US Pharmacopeia requirements. Furthermore, the results of the ecology scale scores indicated that the analytical process involved was green.

本研究展示了一种选择性和敏感的荧光光谱方法的创建和验证,该方法通过在pH为7.5的条件下与荧光胺反应,利用硼酸盐缓冲液产生高度发光的结果。所得产物在390nm处照射后,在480nm处定量荧光强度。对影响产物产量、稳定性和荧光强度的实验变量进行了考察和优化。该方法在50 ~ 1500ng /mL的浓度范围内呈线性;定量限为48.57 ng/mL,检测限为16.03 ng/mL。对lefamulin片剂的剂型和加标生物液进行了成功的评价,并根据国际协调理事会(ICH)的标准对建议的方法进行了验证。此外,根据美国药典的要求,采用该方法检查了含量的均匀性。此外,生态量表得分结果表明,涉及的分析过程是绿色的。
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引用次数: 0
IDIC-Based Phototheranostic Nanoparticles for NIR Light-Excited Immuno-Phototherapy 用于近红外光激发免疫光疗的idic光治疗纳米颗粒。
IF 3 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-11-04 DOI: 10.1002/bio.70343
Yifei Hua, Xiaoli Chen, Lin Xu, Huan Li, Wenjie Gao, Ming Gao

The development of single component, multifunctional phototheranostic platforms remains a crucial objective in precision cancer therapy. Here, we design near-infrared (NIR) light-activated nanoparticles (NPs) by assembling IDIC with DSPE-PEG-NH2 to achieve high photothermal conversion efficiency, reactive oxygen species generation, and biocompatibility. The resulting IDIC NPs exhibit strong NIR absorption and fluorescence, high photostability, and good aqueous stability. Upon 635-nm laser irradiation, they reach a photothermal conversion efficiency of 52.8% and a singlet oxygen quantum yield of 43.0%, enabling synergistic photothermal and photodynamic therapy. In vitro, IDIC NPs show negligible dark toxicity but induce potent tumor cell ablation upon irradiation through mitochondrial membrane disruption and immunogenic cell death, evidenced by calreticulin exposure, HMGB1 release, and ATP secretion. In vivo, they enable effective NIR imaging, inhibit tumor growth, prolong survival, and cause minimal systemic toxicity. Laser-treated tumors exhibit enhanced apoptosis, reduced proliferation, and macrophage polarization toward an M1 phenotype. These findings establish IDIC NPs as a robust, single-component nanotheranostic agent integrating NIR imaging, photothermal/photodynamic synergy, and immune activation for cancer treatment.

发展单组分、多功能光治疗平台仍然是精确癌症治疗的关键目标。在这里,我们通过组装IDIC和DSPE-PEG-NH2来设计近红外(NIR)光活化纳米粒子(NPs),以实现高光热转换效率、活性氧生成和生物相容性。所得IDIC NPs具有较强的近红外吸收和荧光,高光稳定性和良好的水稳定性。在635 nm激光照射下,它们的光热转换效率达到52.8%,单线态氧量子率达到43.0%,实现了光热和光动力协同治疗。在体外,IDIC NPs表现出可忽略不计的暗毒性,但在照射下通过线粒体膜破坏和免疫原性细胞死亡诱导肿瘤细胞消融,钙网蛋白暴露、HMGB1释放和ATP分泌证明了这一点。在体内,它们可以实现有效的近红外成像,抑制肿瘤生长,延长生存期,并引起最小的全身毒性。激光治疗的肿瘤表现出细胞凋亡增强,增殖减少,巨噬细胞向M1表型极化。这些发现表明IDIC NPs是一种强大的单组分纳米治疗药物,集近红外成像、光热/光动力协同和免疫激活于一体,可用于癌症治疗。
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引用次数: 0
Microwave-Assisted Green Precipitation Synthesis of NiO-ZnO-MgO Nanocomposite for Removal of Methylene Blue From Wastewater 微波辅助绿色沉淀法合成NiO-ZnO-MgO纳米复合材料去除废水中的亚甲基蓝。
IF 3 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-11-04 DOI: 10.1002/bio.70344
Naseem Abbas, Muhammad Madni, Muhammad Bilal, Umar Asim, Syed M. Husnain, Sajid Mahmood, Shahid Iqbal, Randa A. Althobiti, Meznah M. Alanazi, Shaimaa A. M. Abdelmohsen

A NiO-ZnO-MgO ternary heterojunction nanocomposite was synthesized in this work using a microwave-assisted green precipitation approach to improve the photocatalytic removal of methylene blue (MB) dye driven by visible light. Structural analysis via SEM explored round-shaped particles with an average dimension of 14 nm, whereas FTIR established the existence of Zn-O (512 cm−1), Ni-O (564 cm−1), and Mg-O (1399 cm−1) vibrational modes. BET surface analysis demonstrated a high specific surface area of 77.26 m2/g, a pore radius of 15.98 Å, and a pore volume of 0.037 cc/g. Under optimized conditions (pH 9.2, 40°C, visible light intensity of 100 W), the nanocomposite achieved a MB dye degradation efficiency of 90.9% within 120 min, which is superior to many conventional photocatalysts such as TiO2 (15%–30%), ZnO (70%–85%), and binary ZnO-NiO composites (~80%–85%) under similar light exposure conditions. The quantum yield (QY) and space–time yield (STY) were estimated as 7.49 × 10−7 molecules/photon and 6.57 × 10−8 molecules/photon·mg, respectively. Degradation performance was further enhanced by the creation of defect states and reactive oxygen species (ROS), especially superoxide radicals (•O2). The NiO-ZnO-MgO nanocomposite's promise as an economical and ecologically friendly photocatalyst for wastewater treatment is shown by these results.

采用微波辅助绿色沉淀法合成了NiO-ZnO-MgO三元异质结纳米复合材料,以提高可见光光催化去除亚甲基蓝(MB)染料的性能。SEM结构分析发现了平均尺寸为14 nm的圆形颗粒,而FTIR则确定了Zn-O (512 cm-1), Ni-O (564 cm-1)和Mg-O (1399 cm-1)的振动模式。BET表面分析表明,其比表面积为77.26 m2/g,孔半径为15.98 Å,孔体积为0.037 cc/g。在优化条件下(pH 9.2, 40°C,可见光强度为100 W),纳米复合材料在120 min内对MB染料的降解效率达到90.9%,优于许多传统光催化剂,如TiO2 (15%-30%), ZnO(70%-85%)和二元ZnO- nio复合材料(~80%-85%)。量子产率(QY)和时空产率(STY)分别为7.49 × 10-7分子/光子和6.57 × 10-8分子/光子·mg。缺陷态和活性氧(ROS),特别是超氧自由基(•O2 -)的产生进一步增强了降解性能。这些结果表明,NiO-ZnO-MgO纳米复合材料有望成为一种经济、生态友好的废水处理光催化剂。
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引用次数: 0
Combustion Synthesis and Photoluminescence Properties of Dy3+Activated Li₂Sr.₂Al₂PO₄F₉ Phosphor for Solid-State Lighting Applications Dy3+活化Li₂Sr的燃烧合成及光致发光性能用于固态照明应用的2 Al 2 PO₄F₉荧光粉。
IF 3 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-11-02 DOI: 10.1002/bio.70348
S. A. Fartode, Anoop P. Fartode, Sonal P. Tatte, G. C. Mishra, T. R. Shelke, N. S. Dhoble, S. J. Dhoble

This research focuses on the preparation and comprehensive characterization of Li₂Sr.₂Al₂PO₄F₉ phosphors doped with Dy3+ ions. The material was synthesized via combustion method utilizing urea as a fuel source. Structural and luminescence properties are investigated through X-ray diffraction and photoluminescence (PL) techniques. The PL excitation spectrum of Li₂Sr.₂Al₂PO₄F₉:Dy3+ revealed multiple excitation bands between 300 and 400 nm, attributed to 4f electronic transitions of Dy3+ ions. Upon excitation at 348 nm, the PL emission spectrum exhibited characteristic emissions at 478 nm (blue), corresponding to 4F₉/₂ → 6H₁₅/₂ transition, and at 571 nm (yellow), associated with the 4F₉/₂ → 6H₁₃/₂ transition of Dy3+.

本文主要研究Li₂Sr的制备及其综合表征。掺杂Dy3+离子的2 Al 2 PO₄F₉荧光粉。该材料以尿素为燃料源,采用燃烧法合成。通过x射线衍射和光致发光(PL)技术研究了其结构和发光性能。Li₂Sr的PL激发谱。₂Al₂PO₄F₉:Dy3+在300 ~ 400 nm之间显示出多个激发带,这是由于Dy3+离子的4f电子跃迁所致。在348 nm激发时,PL发射光谱显示出478 nm(蓝色)的特征发射,对应于4F₉/₂→6H₁₅/₂跃迁,在571 nm(黄色),与Dy3+的4F₉/₂→6H₁₃/₂跃迁有关。
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引用次数: 0
Spectroscopic and Thermodynamic Studies on the Binding Interaction of Nicorandil to Bovine Serum Albumin, Supported by Molecular Docking Analysis 基于分子对接分析的尼可地尔与牛血清白蛋白结合相互作用的光谱和热力学研究。
IF 3 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-11-02 DOI: 10.1002/bio.70342
Heba Abo Shamiya, Heba Elmansi, Shahenda M. El-Messery, Fathalla Belal

Using several spectroscopic methods, such as fluorescence spectroscopy, Fourier transform infrared (FTIR), UV–visible spectroscopy, thermodynamic investigations, and molecular modeling (MD), is a recent trend in investigating the binding interactions between pharmaceuticals and proteins. The current research examines how nicorandil (NCL) interacts with bovine serum albumin (BSA), a major blood plasma carrier protein, under simulated physiological circumstances (pH 7.4). Fluorescence data and ultraviolet spectra proved that the intrinsic fluorescence of BSA was diminished by NCL through an integration of dynamic and static quenching mechanisms. Studies indicated that NCL binds weakly to BSA with a single binding site (6.35 × 102 M−1 at 298 K), which is consistent with the reported plasma protein binding percentage (approximately 25%). Analysis of the thermodynamic parameters revealed that the NCL-BSA interaction was spontaneous with an enthalpy change (ΔH) of 174.85 kJ mol−1. Hydrophobic forces were the primary binding forces; the entropy change (ΔS) was 639.96 kJ mol−1. Competitive binding experiments proposed that NCL was primarily attached to Site I of BSA's hydrophobic cavity. In addition, synchronous fluorescence spectroscopy, FTIR, and ligand-protein docking studies have deduced the conformational alteration in the BSA secondary structure when it interacts with NCL. Docking results were in accordance with experimental results.

利用多种光谱方法,如荧光光谱、傅里叶变换红外光谱、紫外可见光谱、热力学研究和分子模型(MD),是研究药物与蛋白质之间结合相互作用的最新趋势。目前的研究考察了nicorandil (NCL)如何在模拟生理环境(pH 7.4)下与牛血清白蛋白(BSA)(一种主要的血浆载体蛋白)相互作用。荧光数据和紫外光谱表明,NCL通过动态和静态猝灭机制减弱了牛血清白蛋白的本征荧光。研究表明,NCL与BSA的单结合位点较弱(在298 K时为6.35 × 102 M-1),这与报道的血浆蛋白结合率(约25%)一致。热力学参数分析表明,NCL-BSA相互作用是自发的,焓变(ΔH)为174.85 kJ mol-1。疏水性是主要的结合力;熵变(ΔS)为639.96 kJ mol-1。竞争结合实验表明,NCL主要附着在BSA疏水腔的Site I上。此外,同步荧光光谱、FTIR和配体-蛋白对接研究已经推断出BSA与NCL相互作用时二级结构的构象改变。对接结果与实验结果一致。
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引用次数: 0
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