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Elucidation on the Interaction Between Transferrin and Tetrachlorobisphenol A Based on Multispectroscopic Analysis, Molecular Docking Technique, and Conformational Studies 基于多光谱分析、分子对接技术和构象研究的转铁蛋白与四氯双酚A相互作用研究。
IF 3.2 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-01-22 DOI: 10.1002/bio.70103
Yuchuan Feng, Qiumei Zhang, Xiting Li, Yujing Zeng, Yiming Wang, Lanfang Zhang, Miaomiao Tian, Baozhu Chi, Hui Guo

Tetrachlorobisphenol A (TCBPA) is a kind of fire retardant extensively used in our life, but it can accumulate in organisms and potentially have toxic effects. Transferrin (TF) is a glycoprotein predominantly present in the blood plasma, serving as an essential mediator for the transportation of iron and other small molecules. In our study, various techniques including multi-spectroscopic and molecular docking were employed to examine the interaction between TCBPA and TF. The TF–TCBPA complex was formed with the binding constant (Ka) in 2.181 ± 0.035 × 104 M−1 at 298 K. ΔH and ΔS were all negative, which means dominant driving forces were van der Waals forces and H-bonds. The secondary structure of TF was changed by TCBPA, resulting in a decline in the α-helix structure, and a corresponding increase in the β-sheet structure. The molecular docking revealed that TCBPA was positioned within a pocket of TF, and it engaged in interactions with some amino acid residues through different forces. Importantly, the interaction between Tyr426/Asp392/His585 and TCBPA implies that TCBPA potentially interferes with the transportation of iron ions in vivo. All of above results indicated the adverse effects of TCBPA on the TF structure and activity should be more attention.

四氯双酚A (TCBPA)是我们生活中广泛使用的一种阻燃剂,但它可以在生物体中积累并具有潜在的毒性作用。转铁蛋白(TF)是一种主要存在于血浆中的糖蛋白,是铁和其他小分子运输的重要介质。在我们的研究中,采用了多种技术,包括多光谱和分子对接来研究TCBPA和TF之间的相互作用。在298 K下形成的TF-TCBPA配合物的结合常数Ka为2.181±0.035 × 104 M-1。ΔH和ΔS均为负,说明主导驱动力为范德华力和氢键。TCBPA改变了TF的二级结构,导致α-螺旋结构下降,β-片状结构相应增加。分子对接表明,TCBPA位于TF的一个口袋内,并通过不同的力与一些氨基酸残基相互作用。重要的是,Tyr426/Asp392/His585与TCBPA之间的相互作用表明TCBPA可能会干扰体内铁离子的运输。以上结果提示,TCBPA对TF结构和活性的不良影响值得关注。
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引用次数: 0
Impact of Co-doping Eu3+ and Gd3+ in HMO-Based Glasses for Structural and Optical Properties and Radiation Shielding Enhancement
IF 3.2 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-01-22 DOI: 10.1002/bio.70045
Ashwitha Nancy D'Souza, Sumanth G. Madivala, A. Vidya Saraswathi, M. I. Sayyed, M. Rashad, Sudha D. Kamath

Eu-Gd co-doped glasses composed of 15B2O3–12SiO2–(40-x)TeO2–3Eu2O3–xGd2O3–12Bi2O3–8BaO–10ZnO with x = 0–4 mol% (coded as EuGd-x) were fabricated using melt quench approach to develop transparent radiation shielding system. Their structural, optical and mechanical properties were examined. 5.3663, 5.4264, 5.7405, 5.4683 and 5.6756 g/cm3 were the densities of EuGd-0, EuGd-1, EuGd-2, EuGd-3 and EuGd-4, respectively. Gamma shielding ability of EuGd system was simulated using the Photon Shielding and Dosimetry software in energy spectrum 0.015–15 MeV. On co-doping Gd3+ with Eu3+, clear advancement in gamma and neutron shielding ability was perceived; EuGd-2 dominates because of the highest density. At 0.662 MeV, the uppermost and lowermost (0.501 and 0.468 cm−1) linear attenuation coefficients (LAC) were demonstrated by EuGd-2 and EuGd-0, respectively. EuGd-2 distinguished itself with least half value layer (HVL) = 1.383 cm at 0.662 MeV, compared to EuGd-0 (1.483 cm). Photon build-up inside the glasses declined with Gd concentration at low gamma energies (< 2 MeV). EuGd-2 also showcased maximum fast neutron removal (FNR) cross-sectional value (0.10935 cm−1). Comparison between singly doped Eu2O3, Gd2O3 glasses and the current co-doped glasses established that EuGd-2 is the superior gamma shield in terms of LAC, HVL and effective atomic number.

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引用次数: 0
A Comparison of the Optical Properties of Fibre-Based Luminescent Solar Concentrators and Transparent Wood Towards Sustainable Waveguides
IF 3.2 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-01-22 DOI: 10.1002/bio.70093
Brindha V. G. Mohan, V. G. Shobhana, N. Manikanda Boopathi

Aiming at net-zero emissions, most international and national policies focus on sustainable development goals. Hence, there is an immediate need for replacing carbon-intensive materials with biomaterials. In this respect, this article presents a road-map for moving from polymeric to sustainable waveguides in optical devices. Previous reports indicate that luminescent fibres exhibit better photon concentrations of nearly 30%–33% higher than flat-plate polymeric waveguides. It is also verified that the photon in-out ratio increases by 3.44 times when the waveguide geometry is changed from planar to an equivalent area of fibre bundle with the same luminophore. Meanwhile, transparent wood (Twood) is gaining attention as a green alternative to acrylic sheets. The structure and function of transparent wood conforms well with the fibre-based waveguides of luminescent solar concentrators (LSCs). Therefore, it is intriguing to compare Twood with intrinsic micro fibrillary interior with fibre-based LSC as a natural alternative. This review provides an in-depth analysis, emphasizing the benefits and associated challenges in using cylindrical concentrators over planar LSCs. The paper collects and compares the phenomenon of light guiding of cylindrical and fibre-based LSCs with that of Twood. It is important to consider the key points discussed here while making a transition towards sustainable waveguides.

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引用次数: 0
Novel Perylene Diimide–Benzothaizole Hybrid: A Reaction-Based Probe for the Detection and Discrimination of H2S, Cys and DTT 新型苝酰二亚胺-苯并噻唑杂化物:一种基于反应的H2S、Cys和DTT检测与鉴别探针。
IF 3.2 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-01-21 DOI: 10.1002/bio.70078
Sanjeev Kumar, Prabhpreet Singh

The reaction-based probe perylene diimide–hydroxyphenyl benzothiazole (PR) can be used for the detection and discrimination of H2S, DTT and Cys in 20% HEPES buffer–DMSO and DMSO. The H2S induced radical anion formation of PR in 20% HEPES buffer and thiolysis of the ether bond of PR in DMSO. However, the addition of DTT showed only a decrease in the absorbance intensity and Cys showed insignificant behaviour towards PR in DMSO. The optical, AFM and DLS studies along with isolation of the reaction product in the model reaction support the interaction of the PR with bio thiols.

基于反应的苝二酰亚胺-羟基苯基苯并噻唑(PR)探针可用于20% HEPES缓冲液-DMSO和DMSO中H2S、DTT和Cys的检测和鉴别。H2S在20% HEPES缓冲液中诱导PR的自由基阴离子形成,并在DMSO中诱导PR的醚键硫解。DTT的加入仅降低了吸光度强度,Cys对DMSO中PR的作用不明显。光学,AFM和DLS研究以及模型反应中反应产物的分离支持PR与生物硫醇的相互作用。
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引用次数: 0
Selective Turn-On Luminescent Recognition of Perchlorate Ion Using Pyridyl-Benzimidazole–Based Probe 吡啶基苯并咪唑探针选择性发光识别高氯酸盐离子。
IF 3.2 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-01-20 DOI: 10.1002/bio.70087
Sudhanshu Naithani, Nidhi Goswami, Vikas Yadav, Jimmy Mangalam, Tapas Goswami, Sushil Kumar

Anions play a crucial role in various environmental, chemical, and biological processes. Among various anions, the production of perchlorate (ClO4) ion is expected to rise in upcoming years, and thus, an efficient method for the detection of perchlorate ion is highly desirable. In this effort, a pyridyl-benzimidazole–based luminescent probe (RSB1) containing two N-H donor sites has been synthesized for selective detection of perchlorate ion. Different spectral techniques such as FT-IR, NMR, ESI-mass, UV–Vis, and fluorescence analyses have been used to characterize this probe. High selectivity of RSB1 for ClO4 was realized even in presence of strongly interfering species in aqueous-acetonitrile (CH3CN-H2O; 4:1, v/v) solution. Notably, RSB1 served as a “turn-on” perchlorate-responsive probe and exhibited an emission enhancement at 363 nm when excited at 300 nm. The detection limit (LoD) and the binding constant (Kb) values were depicted to be 0.121 μM and 2.6 × 105 M−1, respectively, while the binding mechanism for RSB1-ClO4 was validated via Job's plot, NMR, and DFT analyses. Furthermore, this probe was successfully employed to trace perchlorate in real samples such as tap water, distilled water, and soil samples with good to excellent recovery values.

阴离子在各种环境、化学和生物过程中起着至关重要的作用。在各种阴离子中,高氯酸盐(ClO4 -)离子的产量预计将在未来几年增加,因此,高氯酸盐离子的高效检测方法是非常需要的。本文合成了一种含有两个N-H给体位点的吡啶基苯并咪唑发光探针(RSB1),用于高氯酸盐离子的选择性检测。不同的光谱技术,如FT-IR, NMR, ESI-mass, UV-Vis和荧光分析已被用于表征该探针。即使在水-乙腈(CH3CN-H2O)中存在强干扰物,RSB1对ClO4 -也实现了高选择性;4:1, v/v)溶液。值得注意的是,RSB1作为高氯酸盐“开启”响应探针,在300nm激发下在363nm处表现出发射增强。检测限(LoD)和结合常数(Kb)分别为0.121 μM和2.6 × 105 M-1,并通过Job’s plot、NMR和DFT分析验证了RSB1-ClO4 -的结合机制。此外,该探针成功地用于自来水、蒸馏水和土壤样品等实际样品中的高氯酸盐痕量,具有良好到优异的回收率。
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引用次数: 0
A Novel Microfluidic-Based Fluorescence Detection Method Reveals Heavy Atom Effects on Photophysics of Fluorophores With High Triplet Quantum Yield: A Numerical Simulation Study 一种新的基于微流体的荧光检测方法揭示了重原子对高三态量子产率荧光团光物理的影响:数值模拟研究。
IF 3.2 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-01-20 DOI: 10.1002/bio.70090
Selim Can Dirican, Barış Demirbay

The present study introduces the idea of a novel fluorescence-based imaging technique combined with a microfluidic platform that enables a precise control of dark transient state populations of fluorescent probes flowing over a uniform, top flat supergaussian excitation field with a constant flow rate. To demonstrate the imaging capability of the proposed detection method, numerical simulations have been performed by considering laser, microscope and flow parameters of experimental setup together with photophysical model and electronic transition rates of fluorescent dyes. As an output data to be assessed, fluorescence image data is simulated numerically for bromine-free carboxyfluorescein and its brominated derivatives having different numbers of bromine atoms. Based on the magnitudes of applied excitation irradiances and flow rates, which can be manually controlled by user during experiments, the presence of dark state populations can appear as broadening, shifts and decays in normalized fluorescence intensity signals that are computed from simulated fluorescence images. As such changes in signals become more pronounced upon an increase in the degree of bromination, it is elicited that heavy atom effect can be resolved by properly tuning excitation powers of laser and flow rates. Proposed imaging method has potential to provide invaluable means to conventional fluorescence methods and can open up new perspectives in biomedical research.

本研究介绍了一种新的基于荧光的成像技术与微流控平台相结合的想法,该技术能够精确控制荧光探针的黑暗瞬态种群,这些荧光探针以恒定的流量流过均匀的、顶部平坦的超高斯激励场。为了验证所提出的检测方法的成像能力,考虑了激光、显微镜和实验装置的流动参数,以及荧光染料的光物理模型和电子跃迁速率,进行了数值模拟。作为待评估的输出数据,对具有不同溴原子数的无溴羧基荧光素及其溴化衍生物的荧光图像数据进行了数值模拟。基于应用的激发辐照度和流量的大小,可以由用户在实验过程中手动控制,暗态种群的存在可以出现在从模拟荧光图像计算的归一化荧光强度信号中展宽,移位和衰减。随着溴化程度的增加,信号的这种变化变得更加明显,因此可以通过适当调节激光的激发功率和流量来解决重原子效应。所提出的成像方法有可能为传统的荧光方法提供宝贵的手段,并为生物医学研究开辟新的前景。
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引用次数: 0
Investigation of Er3+-Doped BaF2 Single Crystals for Infrared Emission and Photovoltaic Efficiency Enhancement
IF 3.2 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-01-20 DOI: 10.1002/bio.70102
A. Bitam, R. Fartas, M. Diaf, H. Boubekri, A. Cheddadi, I. R. Martin

Er3+-doped BaF2 single crystals were investigated with two primary aims: first, to probe the infrared emissions from the 4I11/2 level (around 1.0 μm) under 1500-nm excitation and, second, to use the crystal to enhance the efficiency of silicon-based solar cells through upconversion mechanism. Upon excitation at 1500 nm, the upconversion emission spectrum of the Er3+-doped BaF2 single crystals, recorded in the range of 480–1080 nm, exhibited two well-structured visible bands at 538 and 650 nm, along with a strong near infrared emission at 971 nm. This strong 971-nm emission has an emission cross-section of approximately 0.23 × 10−20 cm2. As with any phenomenon inherent to energy transfer by upconversion, the 4I11/2 fluorescence decay exhibits a rise time followed by a long decay of approximately 15 ms and a positive optical gain from the low values of the population inversion coefficient, which could potentially give rise to laser emission from this level. When we place our crystal on a photovoltaic device illuminated by 1500-nm wavelength radiation, we record a photocurrent of 300 μA at an illumination power of 85 mW. This indicates that the Er3+-doped BaF2 crystal is highly suitable for significantly enhancing the efficiency of silicon-based solar cells.

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引用次数: 0
Novel Nitrogen Hybrid F− Sensors Based on ESIPT Mechanism Achieving Super Low Detection Limits 基于ESIPT机制的新型氮混合F-传感器实现超低检测限。
IF 3.2 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-01-20 DOI: 10.1002/bio.70098
Zeyang Zhu, Zixuan Xu, Xuemei Li, Hui Wang, Xinghui Cao, Shouzhu Li, Linhan Su, Shasha Wu

Two novel nitrogen hybrid fluorescent sensors based on the ESIPT mechanism were successfully synthesized for the detection of fluoride ions (F), and they exhibit high sensitivity and selectivity with a fast response. The detection limits even reach the parts per billion level. With the addition of F, both sensors showed a ratiometric fluorescence change with a large Stokes shift. According to the hydrogen-1 (1H) NMR titration, it was confirmed that the desilication reaction occurred between the sensors and F. This work provides guidance for the subsequent development of F fluorescence sensors.

成功合成了两种基于ESIPT机制的新型氮杂化荧光传感器,用于氟离子(F-)的检测,具有高灵敏度和选择性,响应速度快。检测限甚至达到十亿分之一的水平。随着F-的加入,两个传感器都显示出具有较大斯托克斯位移的比例荧光变化。氢-1 (1H)核磁共振滴定证实了传感器与F-之间发生脱硅反应。该工作为后续F荧光传感器的研制提供了指导。
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引用次数: 0
Correction to Clustering-Triggered Emission Mechanism of Carboxymethyl β-Cyclodextrin Aqueous Solution and Efficient Recognition of Fe3+ in Mixed Ions 羧甲基β-环糊精水溶液聚簇触发发射机理的修正及对混合离子中Fe3+的高效识别。
IF 3.2 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-01-19 DOI: 10.1002/bio.70091

H. Xu, J. Wang, Q. Li, Q. Zhou, “ Clustering-triggered emission mechanism of carboxymethyl β-cyclodextrin aqueous solution and efficient recognition of Fe3+ in mixed ions,” Luminescence 2024, 39(8), e4856, https://doi.org/10.1002/bio.4856.

The ranking of affiliations of this paper needs to be adjusted. The correct affiliations ranking should be as follows:

1Engineering Research Center for Eco-Dyeingand Finishing of Textiles, Key Laboratory ofAdvanced Textile Materials and ManufacturingTechnology, Ministry of Education, College ofTextile Science and Engineering (InternationalInstitute of Silk), Zhejiang Sci-Tech University, Hangzhou, China

2MOE Key Laboratory of MacromolecularSynthesis and Functionalization, Departmentof Polymer Science and Engineering, ZhejiangUniversity, Hangzhou, China

3Zhejiang Sci-Tech University Shaoxing-Keqiao Research Institute, Zhejiang ProvincialInnovation Center of Advanced TextileTechnology, Building 7, Cross borderE-commerce Park, Huashe Street, KeqiaoDistrict, Shaoxing City, Zhejiang, China

Thus, authors' affiliation links should be as follows:

Haiyan Xu1,2 | Jun Wang1 | Qi Li3 | Qing Zhou1,2,3

We apologize for these errors.

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引用次数: 0
Fabrication of Highly Fluorescent Nitrogen and Phosphorus Dual-Doped Carbon Dots for Selective Sensing of Rutin 用于芦丁选择性传感的高荧光氮磷双掺杂碳点的制备。
IF 3.2 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-01-16 DOI: 10.1002/bio.70089
Reham E. Kannouma, Amira H. Kamal, Mohamed A. Hammad, Fotouh R. Mansour

Based on nitrogen and phosphorus co-doped carbon dots (NP-CDs), a direct, quick, and selective sensing probe for fluorometric detection of rutin has been developed. Utilizing ethylene diamine tetra acetic acid (EDTA) as a carbon and nitrogen source and diammonium hydrogen phosphate (NH4)2HPO4 as a nitrogen and phosphorus source. The NP-CDs were synthesized in less than 3 min with a straightforward one-step microwave pyrolysis process with a high quantum yield (63.8%). After being excited at λ = 360 nm, the produced NP-CDs displayed a maximum bluish fluorescence at λem of 420 nm. Rutin quenched the fluorescence of the produced NP-CDs based on the inner filter effect and static quenching processes. Along with the International Council of Harmonization (ICH) requirements, the developed spectrofluorometric method was validated. The linearity range was 0.50–35.00 μg/mL of rutin. The developed NP-CDs were successfully employed to determine rutin concentrations in marketed tablets. The developed method is quick, simple, consistent, sensitive, and selective, and it does not require expensive chemicals or specialized instruments. This study paves the path for future application of NP-CD in pharmaceutical analysis.

基于氮磷共掺杂碳点(NP-CDs),研制了一种直接、快速、选择性的芦丁荧光检测探针。以乙二胺四乙酸(EDTA)为碳氮源,磷酸氢二铵(NH4)2HPO4为氮磷源。采用简单的一步微波热解工艺,在不到3 min的时间内合成了NP-CDs,量子产率高达63.8%。在λ = 360 nm处激发后,所制备的NP-CDs在λem为420 nm处显示出最大的蓝色荧光。芦丁基于内部过滤效应和静态猝灭过程猝灭所制备的NP-CDs的荧光。根据国际协调理事会(ICH)的要求,对所开发的分光光度法进行了验证。在0.50 ~ 35.00 μg/mL的线性范围内。所建立的np - cd可用于市售片剂中芦丁的浓度测定。所开发的方法快速、简单、一致、灵敏、选择性好,而且不需要昂贵的化学品或专用仪器。本研究为NP-CD在药物分析中的进一步应用奠定了基础。
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引用次数: 0
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