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Insight into the interaction of serum albumin with antihypertensive peptide Val-Ala-Pro from bovine casein hydrolysate based on the biolayer interferometry, multi-spectroscopic analysis and computational evaluation. 基于生物层干涉测量、多光谱分析和计算评估,揭示血清白蛋白与牛酪蛋白水解物中抗高血压肽 Val-Ala-Pro 的相互作用。
Pub Date : 2024-11-15 DOI: 10.1016/j.saa.2024.125433
Qian Zhou, Dankui Liao, Haibo Liu, Lei Wang, Xueping Zhang, Lixia Sun, Zhangfa Tong, Xuezhen Feng, Guangzhi Zhou

Food-derived angiotensin-converting enzyme inhibitory peptide (ACEIP) has an effect in supportive therapeutic on hypertension. Bovine serum albumin (BSA) as a model transporter protein to explore the interaction mechanisms with casein-hydrolyzed ACEIP Val-Ala-Pro (VAP) by multi-spectroscopic, biolayer interferometry (BLI), isothermal titration calorimetry (ITC), molecular docking, and molecular dynamics simulations. Multi-spectroscopic analysis showed that the non-covalent complexes formed by VAP and BSA resulted in decreased hydrophobicity and α-helix contents on BSA, revealing the unfolding of the BSA structure. BLI revealed the reversible binding process of BSA to VAP. ITC confirmed that the combination of VAP to BSA was a spontaneous process mainly driven by entropy. Molecular docking and molecular dynamic simulations showed that VAP was primarily bound in site II of BSA by hydrogen bonding, hydrophobic interactions, van der Waals force, and electrostatic force. This study provides a systematic method to reveal the structure-activity relationship of ACEIPs.

食物来源的血管紧张素转化酶抑制肽(ACEIP)对高血压有辅助治疗作用。研究人员以牛血清白蛋白(BSA)为模型转运蛋白,通过多光谱分析、生物层干涉仪(BLI)、等温滴定量热仪(ITC)、分子对接和分子动力学模拟等方法,探讨了BSA与酪蛋白水解的血管紧张素转化酶抑制肽Val-Ala-Pro(VAP)的相互作用机制。多光谱分析显示,VAP 与 BSA 形成的非共价复合物导致 BSA 的疏水性和 α 螺旋含量降低,从而揭示了 BSA 结构的解折。BLI 揭示了 BSA 与 VAP 的可逆结合过程。ITC 证实 VAP 与 BSA 的结合是一个自发过程,主要由熵驱动。分子对接和分子动力学模拟表明,VAP主要通过氢键、疏水相互作用、范德华力和静电力结合在BSA的位点II上。该研究为揭示 ACEIPs 的结构-活性关系提供了一种系统的方法。
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引用次数: 0
Robust and sensitive colorimetric detection of glutathione with double-triggering MOF-Fe(DTNB). 利用双触发 MOF-Fe(DTNB)对谷胱甘肽进行稳健灵敏的比色检测。
Pub Date : 2024-11-13 DOI: 10.1016/j.saa.2024.125439
Kaining Zhang, Hao Sun, Long Wei, Rui Hu, Hao Liu, Yongchao Lai, Xun Li

Glutathione (GSH) levels have been well validated to correlate with a variety of physiological and pathological conditions, such as malignancy, cardiovascular disease and aging, making the development of accurate, robust and sensitive GSH detection methods highly desirable. In this study, a novel metal-organic framework (MOF-Fe(DTNB))-based colorimetric method with a favorable dual-triggering function was proposed. MOF-Fe(DTNB) exhibits high peroxidase activity, which can catalyze the oxidation of colorless 3,3',5,5'-tetramethylbenzidine (TMB) to blue ox-TMB by hydrogen peroxide (H2O2). This oxidation process of TMB can be inhibited not only by the reducing action of GSH, but also by the thiol exchange reaction between DTNB and GSH, in which the disulfide bond of DTNB in MOF-Fe(DTNB) is cleaved. Thus, with this dual triggering mechanism, the GSH concentration can be robustly measured in the MOF-Fe(DTNB)-derived colorimetric strategy. Significantly, this method is accurate (RSD < 6 %), selective and sensitive in biological plasma samples, with satisfactory recovery rates (96.7-103.3 %). It requires less instrumentation and has less interference from other substances. The linear range of the method is 0-80 µM, and the detection limit is as low as 0.28 µM. This dual-triggering MOF-Fe(DTNB)-derived colorimetric strategy has greatly simplified the GSH detection processes with improved accuracy, in both acidic and basic environments, which has potent applications in biochemical analysis and point-of-care testing.

谷胱甘肽(GSH)水平与多种生理和病理状况(如恶性肿瘤、心血管疾病和衰老)的相关性已得到充分验证,因此开发准确、稳健和灵敏的 GSH 检测方法非常必要。本研究提出了一种新型的基于金属有机框架(MOF-Fe(DTNB))的比色法,具有良好的双触发功能。MOF-Fe(DTNB) 具有很高的过氧化物酶活性,能催化无色的 3,3',5,5'-四甲基联苯胺(TMB)在过氧化氢(H2O2)的作用下氧化成蓝色的 ox-TMB。TMB 的这一氧化过程不仅可以通过 GSH 的还原作用来抑制,还可以通过 DTNB 和 GSH 之间的硫醇交换反应(DTNB 在 MOF-Fe(DTNB)中的二硫键被裂解)来抑制。因此,在这种双重触发机制下,MOF-Fe(DTNB)衍生的比色法可以稳健地测量 GSH 的浓度。值得注意的是,这种方法是准确的(RSD
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引用次数: 0
Smartphone-based colorimetric paper chip sensor using single-atom nanozyme for the detection of carbofuran pesticide residues in vegetables. 利用单原子纳米酶的智能手机比色纸片传感器检测蔬菜中的呋喃丹农药残留。
Pub Date : 2024-11-13 DOI: 10.1016/j.saa.2024.125415
Lifan Zhang, Ziyue Lang, Bozhi Lu, Tinglan Yang, Xinyi Zhang, Muxue Wang, Xiaomei Zhang, Hongmei Cao, Daixin Ye

Carbofuran (CBF), which exhibit high toxicity, persistent residues, ease of accumulation, and resistance to degradation, pose serious threats to human health and harm the ecological environment. Therefore, there is an urgent need to develop a rapid and accurate method for detecting CBF. In this work, a low-cost, portable, and easy-to-use paper chip biosensor was developed, integrating smartphones for the detection of CBF pesticide residues. This biosensor facilitates rapid on-site testing, meeting the needs for immediate analysis. CBF has the ability to inhibit acetylcholinesterase (AChE) activity. In the presence of AChE, acetylthiocholine (ATCh) is hydrolyzed to produce thiocholine (TCh). TCh, in turn, can inhibit the catalytic activity of Ni-N-C single-atom nanozymes (SAzyme) synthesized using Ni(OH)2 nanochip as a metal precursor, which possess high peroxidase activity. Consequently, the concentration of CBF can be determined by observing the resultant color changes. The results showed that this sensor had a good linear response in the range of CBF concentration from 10 to 500 ng/mL, and the LOD was as low as 8.79 ng/mL. In testing three actual samples-Chinese cabbage, cabbage, and lettuce-the recoveries ranged from 81.09% to 125.27%. This demonstrated that the proposed smartphone-based colorimetric paper chip sensor, utilizing Ni-N-C SAzyme, offers an immediate, convenient, and rapid new strategy for detecting CBF.

克百威(CBF)具有毒性高、残留持久、易积累、难降解等特点,严重威胁人类健康,危害生态环境。因此,开发一种快速、准确的 CBF 检测方法迫在眉睫。本研究开发了一种低成本、便携、易用的纸质芯片生物传感器,集成了智能手机,用于检测 CBF 农药残留。这种生物传感器便于现场快速检测,满足了即时分析的需要。CBF 具有抑制乙酰胆碱酯酶(AChE)活性的能力。在 AChE 存在的情况下,乙酰硫代胆碱 (ATCh) 会水解生成硫代胆碱 (TCh)。反过来,硫代胆碱又会抑制以 Ni(OH)2 纳米芯片为金属前体合成的 Ni-N-C 单原子纳米酶(SAzyme)的催化活性,而 SAzyme 具有很高的过氧化物酶活性。因此,可以通过观察颜色的变化来确定 CBF 的浓度。结果表明,该传感器在 CBF 浓度为 10 至 500 纳克/毫升的范围内具有良好的线性响应,最低检测限低至 8.79 纳克/毫升。在测试三种实际样品--大白菜、卷心菜和莴苣时,回收率在 81.09% 至 125.27% 之间。这表明,利用 Ni-N-C SAzyme 提出的基于智能手机的比色纸片传感器为检测 CBF 提供了一种即时、方便和快速的新策略。
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引用次数: 0
Sunlight-induced degradation of squarazine-based cyanide complex through imine CN free rotation: Sensing, binding and degradation studies of anionic complex. 日光通过亚胺 CN 自由旋转诱导方嗪基氰化物络合物降解:阴离子络合物的传感、结合和降解研究。
Pub Date : 2024-11-12 DOI: 10.1016/j.saa.2024.125404
Poomanirajeshwari Kathirvelu, Murugan Gowripriya, Ariputhiran Muthulakshmi, Vanthana Jeyasingh, Kumaresan Murugesan, Sudha Lakshminarayanan, Selvapalam Narayanan, Lakshminarayanan Piramuthu

Sunlight-induced degradable squarazine based electron deficient receptor 3,4-bis((E)-2-((perfluorophenyl)methylene)hydrazinyl)cyclobut-3-ene-1,2-dione, L has been reported here. Naked-eye colorimetric analysis, UV-Vis, IR and 1H, 19F, 31P-NMR spectrometric results show that this receptor L high affinity with cyanide anion. The strength of the receptor L towards colorimetrically responded anions are calculated by UV-Vis spectrometric titrations and it is found to be 9.9597 × 103 for cyanide. Interestingly, upon exposure of those anionic complexes under sunlight, the colors of those respective anionic complexes are disappeared. From this result, it is clear that these anionic complexes are capable to discharge the bound anion via CN free rotation. As evidenced from spectroscopic and colorimetric results, it is also clear that this anionic complex is not only release the bound anion, but also undergone self-degradation upon sunlight exposure. To the best of our knowledge, this is the first example for cyanide sensing of anion accomplished with self-degradation of anion complex upon exposure on sunlight.

本文报告了阳光诱导的可降解眯嗪基缺电子受体 3,4-双((E)-2-((全氟苯基)亚甲基)肼基)环丁烯-3-烯-1,2-二酮 L。裸眼比色分析、紫外可见光谱、红外光谱和 1H、19F、31P-NMR 光谱分析结果表明,这种受体 L 与氰阴离子具有很高的亲和力。通过紫外可见光谱滴定法计算受体 L 对显色阴离子的亲和力,发现氰化物的亲和力为 9.9597 × 103。有趣的是,当这些阴离子络合物暴露在阳光下时,它们各自的颜色都会消失。由此可见,这些阴离子络合物能够通过 CN 自由旋转来释放结合阴离子。从光谱和比色结果也可以看出,这种阴离子络合物不仅能释放出结合阴离子,还能在阳光照射下发生自我降解。据我们所知,这是第一个在阳光照射下阴离子复合物自我降解的阴离子氰化物传感实例。
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引用次数: 0
Novel amino-functionalized MOF-based sensor for zinc ion detection in water and blood serum samples. 基于氨基功能化 MOF 的新型传感器,用于检测水和血清样品中的锌离子。
Pub Date : 2024-11-12 DOI: 10.1016/j.saa.2024.125432
Yasmeen A S Hameed, Nada Alkhathami, Razan M Snari, Alaa M Munshi, Omaymah Alaysuy, Muhammad Hadi, Marwah A Alsharif, M A Khalil, Nashwa M El-Metwaly

Aquatic systems with low zinc levels can experience a significant decrease in carbon dioxide uptake and limited growth of phytoplankton species. In this study, we describe the use of a new fluorescent sensor based on NH2-MIL-53(Al), and modified with glutaraldehyde and sulfadoxine, for selectively detecting zinc ions in water and blood serum samples. Characterization of the synthesized material was performed using X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), Brunauer-Emmett-Teller (BET) surface area analysis, X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy (SEM), confirming successful functionalization and preservation of the MOF structure. The sensor's performance for Zn2+ detection was evaluated by spectrofluorometry, demonstrating a significant fluorescence enhancement upon Zn2+ binding due to the interaction between Zn2+ ions and the sulfonamide groups. With a detection limit as low as 3.14 × 10-2 ppm, the sensor demonstrates high selectivity for Zn2+ over other common metal ions. The sensor's response is rapid, stable, and reproducible, making it suitable for practical applications. Real sample analysis was conducted in tap water and blood serum samples, with the results compared to those obtained using ICP-OES and a colorimetric test with 5-bromo-PAPS. The comparison confirmed the high accuracy and reliability of the fluorescent sensor in detecting Zn2+ ions in complex matrices. NH2-MIL-53(Al) modified with glutaraldehyde and sulfadoxine shows potential as a selective fluorescent sensor for Zn2+ detection, making it a valuable tool for monitoring the environment and biology.

锌含量低的水生系统对二氧化碳的吸收会显著减少,浮游植物的生长也会受到限制。在本研究中,我们介绍了一种基于 NH2-MIL-53(Al),并用戊二醛和磺胺多辛修饰的新型荧光传感器,用于选择性地检测水和血清样品中的锌离子。利用 X 射线衍射 (XRD)、傅立叶变换红外光谱 (FTIR)、Brunauer-Emmett-Teller (BET) 表面积分析、X 射线光电子能谱 (XPS) 和扫描电子显微镜 (SEM) 对合成材料进行了表征,证实了成功的功能化和 MOF 结构的保留。光谱荧光测定法评估了传感器的 Zn2+ 检测性能,结果表明,由于 Zn2+ 离子与磺酰胺基团之间的相互作用,Zn2+ 结合后荧光显著增强。该传感器的检测限低至 3.14 × 10-2 ppm,对 Zn2+ 的选择性高于其他常见金属离子。该传感器反应快速、稳定、可重复,因此适合实际应用。在自来水和血清样品中进行了实际样品分析,并将分析结果与使用 ICP-OES 和 5-bromo-PAPS 色度测试得出的结果进行了比较。比较结果证实了该荧光传感器在复杂基质中检测 Zn2+ 离子的高准确性和可靠性。用戊二醛和磺胺多辛修饰的 NH2-MIL-53(Al)具有作为 Zn2+ 检测选择性荧光传感器的潜力,使其成为监测环境和生物的重要工具。
{"title":"Novel amino-functionalized MOF-based sensor for zinc ion detection in water and blood serum samples.","authors":"Yasmeen A S Hameed, Nada Alkhathami, Razan M Snari, Alaa M Munshi, Omaymah Alaysuy, Muhammad Hadi, Marwah A Alsharif, M A Khalil, Nashwa M El-Metwaly","doi":"10.1016/j.saa.2024.125432","DOIUrl":"https://doi.org/10.1016/j.saa.2024.125432","url":null,"abstract":"<p><p>Aquatic systems with low zinc levels can experience a significant decrease in carbon dioxide uptake and limited growth of phytoplankton species. In this study, we describe the use of a new fluorescent sensor based on NH<sub>2</sub>-MIL-53(Al), and modified with glutaraldehyde and sulfadoxine, for selectively detecting zinc ions in water and blood serum samples. Characterization of the synthesized material was performed using X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), Brunauer-Emmett-Teller (BET) surface area analysis, X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy (SEM), confirming successful functionalization and preservation of the MOF structure. The sensor's performance for Zn<sup>2+</sup> detection was evaluated by spectrofluorometry, demonstrating a significant fluorescence enhancement upon Zn<sup>2+</sup> binding due to the interaction between Zn<sup>2+</sup> ions and the sulfonamide groups. With a detection limit as low as 3.14 × 10<sup>-2</sup> ppm, the sensor demonstrates high selectivity for Zn<sup>2+</sup> over other common metal ions. The sensor's response is rapid, stable, and reproducible, making it suitable for practical applications. Real sample analysis was conducted in tap water and blood serum samples, with the results compared to those obtained using ICP-OES and a colorimetric test with 5-bromo-PAPS. The comparison confirmed the high accuracy and reliability of the fluorescent sensor in detecting Zn<sup>2+</sup> ions in complex matrices. NH<sub>2</sub>-MIL-53(Al) modified with glutaraldehyde and sulfadoxine shows potential as a selective fluorescent sensor for Zn<sup>2+</sup> detection, making it a valuable tool for monitoring the environment and biology.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"327 ","pages":"125432"},"PeriodicalIF":0.0,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142645355","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Spectral resolution techniques for the simultaneous spectrophotometric determination of anti-Parkinson drugs in their combined pharmaceutical dosage form and biological sample based on multivariate calibration and absorbance subtraction methods. 基于多元校准和吸光度减法的光谱分辨率技术,用于同时分光光度法测定抗帕金森病药物的药物剂型和生物样品。
Pub Date : 2024-11-12 DOI: 10.1016/j.saa.2024.125399
Fereshteh Zarnooshe Farahani, Mahmoud Reza Sohrabi, Fariba Tadayon

In this study, simultaneous determination of levodopa (LEV) and carbidopa (CBD) in binary mixtures, pharmaceutical formulation, and biological sample was conducted using the application of simple, fast, sensitive, and accurate UV-spectrophotometry in combination with chemometrics methods. The first method is net analyte signal (NAS) based on the multivariate calibration methods. The limit of detection (LOD) and limit of quantification (LOQ) were 0.9758, 0.7633 µg/mL and 2.956, 2.313 µg/mL over the linear range of 5-40 and 0.5-20 µg/mL for LEV and CBD, respectively. In the NAS approach, the mean recovery values of mixtures were 100.12 % for LEV and 99.65 % for CBD, where root mean square error (RMSE) values were 0.0106 and 0.0141 for LEV and CBD, respectively. The second method is absorbance subtraction (AS) based on the absorption factor technique for analyzing the isosbestic point. This model was constructed at an isosbestic point of 261 nm in the range of 5-40 and 0.5-20 µg/mL with coefficient determination (R2) of 0.9985 and 0.9996 for LEV and CBD, respectively. AS method could estimate LEV and CBD with LOD values of 1.924 and 0.5657 μg/mL and LOQ values of 5.833 and 1.714 μg/mL, respectively. The recovery percentage was between 91.50 % to 104.60 % with RMSE of 0.1455 for LEV and 92.00 % to 106.66 % with RMSE of 0.2508 for CBD. The introduced approaches have the benefit of concurrent analysis of the mentioned components without any pretreatment. Statistical comparison of the results of real sample analysis with high-performance liquid chromatography (HPLC) did not show a significant difference. These methods can replace HPLC in quality control laboratories when fast, precise, and low-cost analysis is needed.

本研究采用简单、快速、灵敏、准确的紫外分光光度法结合化学计量学方法,对二元混合物、药物制剂和生物样品中的左旋多巴(LEV)和卡比多巴(CBD)进行了同时测定。第一种方法是基于多元定标方法的净分析物信号(NAS)。在 5-40 微克/毫升和 0.5-20 微克/毫升的线性范围内,LEV 和 CBD 的检出限(LOD)和定量限(LOQ)分别为 0.9758、0.7633 微克/毫升和 2.956、2.313 微克/毫升。在 NAS 方法中,LEV 和 CBD 混合物的平均回收率分别为 100.12 % 和 99.65 %,均方根误差(RMSE)分别为 0.0106 和 0.0141。第二种方法是基于吸收因子技术的吸光度减法(AS),用于分析等距点。在 5-40 µg/mL 和 0.5-20 µg/mL 范围内,在 261 nm 的等基点上构建了该模型,LEV 和 CBD 的判定系数(R2)分别为 0.9985 和 0.9996。AS法对LEV和CBD的检出限分别为1.924和0.5657 μg/mL,定量限分别为5.833和1.714 μg/mL。LEV 的回收率在 91.50 % 至 104.60 % 之间,均方根误差为 0.1455;CBD 的回收率在 92.00 % 至 106.66 % 之间,均方根误差为 0.2508。所引入的方法具有无需任何预处理即可同时分析上述成分的优点。实际样品分析结果与高效液相色谱法(HPLC)的统计比较未显示出显著差异。在需要进行快速、精确和低成本分析时,这些方法可以取代质量控制实验室中的高效液相色谱法。
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引用次数: 0
New near-infrared fluorescent probe for imaging superoxide anion of cell membrane. 用于细胞膜超氧阴离子成像的新型近红外荧光探针。
Pub Date : 2024-11-12 DOI: 10.1016/j.saa.2024.125431
Bokai Ma, Ziyin Chai, Ya Liu, Zixu He, Xinqi Chen, Chong Qian, Yongjia Chen, Weizhi Wang, Zihui Meng

Selective imaging of superoxide anion is important for understanding its role in cell membrane biology, but is often a challenging task because of the lack of an effective fluorescence probe. In this study, a new near-infrared fluorescent probe (SHX-O) that can target cell membrane was developed for imaging superoxide anion. SHX-O was designed by simultaneously incorporating a sulfonated bis-indole and a diphenylphosphinyl recognition group into the hemicyanine moiety. The probe itself showed a rather weak fluorescence due to the hemicyanine's hydroxyl substitution; however, its reaction with superoxide anion caused a large enhancement of near-infrared fluorescence at 790 nm. Moreover, SHX-O exhibited not only high selectivity for superoxide anion over other reactive oxygen species, but also specific cell membrane localization, which may be attributed to the probe's amphiphilic structure. Using the probe, fluorescence imaging of cell membrane superoxide anion produced in the presence of xanthine oxidase and xanthine has been achieved in living cells. We believe that SHX-O may serve as a potential tool for imaging and investigating superoxide anion of cell membrane.

超氧阴离子的选择性成像对于了解其在细胞膜生物学中的作用非常重要,但由于缺乏有效的荧光探针,这往往是一项具有挑战性的任务。本研究开发了一种可靶向细胞膜的新型近红外荧光探针(SHX-O),用于超氧阴离子成像。SHX-O 是通过在半氰胺分子中同时加入磺化双吲哚和二苯基膦酰识别基团而设计的。由于半氰基的羟基取代,探针本身的荧光很弱;但是,它与超氧阴离子反应后,在 790 纳米波长处的近红外荧光大大增强。此外,SHX-O 不仅对超氧阴离子(而非其他活性氧物种)具有高选择性,而且还具有特异性的细胞膜定位能力,这可能与探针的两亲结构有关。利用该探针,在活细胞中实现了对黄嘌呤氧化酶和黄嘌呤存在下产生的细胞膜超氧阴离子的荧光成像。我们相信,SHX-O 可能成为细胞膜超氧阴离子成像和研究的一种潜在工具。
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引用次数: 0
A glutathione-sensitive small molecule fluorescent probe for rapid and facile gut microbiota sensing. 一种对谷胱甘肽敏感的小分子荧光探针,用于快速简便地感知肠道微生物群。
Pub Date : 2024-11-12 DOI: 10.1016/j.saa.2024.125408
Hongli Tan, Meizi Zeng, Cong Fang, Xiaohua Zhu, Meiling Liu, Ying Long, Haitao Li, Youyu Zhang, Shouzhuo Yao

The human gut microbiota plays an integral role in the management of human health. Effective detection of gut-derived bacteria and their metabolites, as well as assessing antibiotic susceptibility, are crucial for the treatment of intestinal bacteria-related diseases. Herein, we designed and developed a dual-site (nitrophenyl sulfide group and aldehyde group) fluorescent probe DNO-HC, which could rapidly (∼1 min) respond to glutathione (GSH) with low background fluorescence, high selectivity, and low detection limits (45 nM). Moreover, the probe can be used to evaluate the metabolic levels (GSH) in different gut-derived bacteria and discriminate their Gram status. Remarkably, the assessment of antimicrobial susceptibility to a variety of antibiotics has been successfully accomplished utilizing this probe. It offers a promising strategy for the treatment of diseases associated with bacterial infections.

人类肠道微生物群在人类健康管理中发挥着不可或缺的作用。有效检测肠道细菌及其代谢产物以及评估抗生素敏感性对于治疗肠道细菌相关疾病至关重要。在此,我们设计并开发了一种双位点(硝基苯硫醚基团和醛基团)荧光探针 DNO-HC,它能快速(∼1 分钟)响应谷胱甘肽(GSH),具有低背景荧光、高选择性和低检测限(45 nM)的特点。此外,该探针还可用于评估不同肠道细菌的代谢水平(GSH),并区分它们的革兰氏状态。值得注意的是,利用该探针已成功完成了对多种抗生素的抗菌敏感性评估。它为治疗与细菌感染有关的疾病提供了一种前景广阔的策略。
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引用次数: 0
A novel ratiometric fluorescent nanosensor based-on UiO-66-NH2 capped carbon dots for nitrite determination. 基于 UiO-66-NH2 封顶碳点的新型比率计荧光纳米传感器用于测定亚硝酸盐。
Pub Date : 2024-11-10 DOI: 10.1016/j.saa.2024.125422
Ming-Qin He, Hong-Wei Li, Yuqing Wu

Nitrite is a commonly used food preservative and a water contaminant that has garnered significant attention due to its harmful effects on human health. Developing a simple and sensitive method for determining nitrite levels is crucial for safeguarding public health. In this paper, we present a novel ratiometric fluorescent nanosensor (CDs@UiO-66-NH2), created by combining orange-red-emitting CDs with blue-emitting UiO-66-NH2. This ratiometric probe detects nitrite ions (NO2-) based on the diazotization reaction between the amino group in UiO-66-NH2 and the target NO2-, where the blue emission of UiO-66-NH2 is quenched but the orange-red emission of CDs remains stable. The probe demonstrated a detection range of 0.5-20 μM with a limit of detection (LOD) of 0.157 μM for NO2-. Due to the probe's distinct color changes in response to NO2-, RGB values can be easily read using a smartphone, enabling ultrasensitive visual detection of NO2- with an LOD of 0.76 μM. This sensor was successfully applied to detect NO2- in environmental water samples. Finally, a smartphone-based RGB reading method using CDs@UiO-66-NH2 for visual quantitative detection of NO2- was proposed, broadening the application of CDs@UiO-66-NH2 in environmental protection.

亚硝酸盐是一种常用的食品防腐剂,也是一种水污染物,因其对人体健康有害而备受关注。开发一种简单灵敏的方法来测定亚硝酸盐的含量对于保障公众健康至关重要。在本文中,我们介绍了一种新颖的比率计荧光纳米传感器(CDs@UiO-66-NH2),它是由发射橙红色的 CDs 与发射蓝色的 UiO-66-NH2 结合而成。这种比率计探针根据 UiO-66-NH2 中的氨基与目标 NO2- 之间的重氮化反应来检测亚硝酸根离子(NO2-),UiO-66-NH2 的蓝色发射被淬灭,但 CD 的橙红色发射保持稳定。该探针的检测范围为 0.5-20 μM,对 NO2- 的检测限(LOD)为 0.157 μM。由于探针在 NO2- 作用下会发生明显的颜色变化,因此可以使用智能手机轻松读取 RGB 值,从而实现对 NO2- 的超灵敏视觉检测,检测限为 0.76 μM。该传感器已成功应用于检测环境水样中的 NO2-。最后,提出了一种基于智能手机的 RGB 读取方法,利用 CDs@UiO-66-NH2 对 NO2- 进行可视化定量检测,拓宽了 CDs@UiO-66-NH2 在环境保护中的应用。
{"title":"A novel ratiometric fluorescent nanosensor based-on UiO-66-NH<sub>2</sub> capped carbon dots for nitrite determination.","authors":"Ming-Qin He, Hong-Wei Li, Yuqing Wu","doi":"10.1016/j.saa.2024.125422","DOIUrl":"https://doi.org/10.1016/j.saa.2024.125422","url":null,"abstract":"<p><p>Nitrite is a commonly used food preservative and a water contaminant that has garnered significant attention due to its harmful effects on human health. Developing a simple and sensitive method for determining nitrite levels is crucial for safeguarding public health. In this paper, we present a novel ratiometric fluorescent nanosensor (CDs@UiO-66-NH<sub>2</sub>), created by combining orange-red-emitting CDs with blue-emitting UiO-66-NH<sub>2</sub>. This ratiometric probe detects nitrite ions (NO<sub>2</sub><sup>-</sup>) based on the diazotization reaction between the amino group in UiO-66-NH<sub>2</sub> and the target NO<sub>2</sub><sup>-</sup>, where the blue emission of UiO-66-NH<sub>2</sub> is quenched but the orange-red emission of CDs remains stable. The probe demonstrated a detection range of 0.5-20 μM with a limit of detection (LOD) of 0.157 μM for NO<sub>2</sub><sup>-</sup>. Due to the probe's distinct color changes in response to NO<sub>2</sub><sup>-</sup>, RGB values can be easily read using a smartphone, enabling ultrasensitive visual detection of NO<sub>2</sub><sup>-</sup> with an LOD of 0.76 μM. This sensor was successfully applied to detect NO<sub>2</sub><sup>-</sup> in environmental water samples. Finally, a smartphone-based RGB reading method using CDs@UiO-66-NH<sub>2</sub> for visual quantitative detection of NO<sub>2</sub><sup>-</sup> was proposed, broadening the application of CDs@UiO-66-NH<sub>2</sub> in environmental protection.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"327 ","pages":"125422"},"PeriodicalIF":0.0,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142640513","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Rapid qualitative and quantitative detection for adulteration of Atractylodis Rhizoma using hyperspectral imaging combined with chemometric methods. 利用高光谱成像结合化学计量学方法快速定性和定量检测白术掺假。
Pub Date : 2024-11-10 DOI: 10.1016/j.saa.2024.125426
Siman Wang, Ruibin Bai, Wanjun Long, Xiufu Wan, Zihan Zhao, Haiyan Fu, Jian Yang

In the field of traditional Chinese medicine, Atractylodis Rhizoma (AR) is commonly used for various diseases due to its excellent ability to dry dampness and strengthen the spleen, especially popular in East Asia. The aim of this study is to proposed Hyperspectral Imaging (HSI) in combination with chemometric methods for the rapid qualitative and quantitative detection of AR adulteration with other types of powder. Partial Least Squares Discriminant Analysis (PLS-DA) was used to construct the classification models the best, with the First-order Derivative (F-D) preprocessing method. The accuracy values of the test sets for classification models were above 99%. Furthermore, Partial Least Squares Regression (PLSR), Random Forest Regression (RFR), and BP Neural Network (BPNN) were used to quantitatively analyze the adulteration level. On the whole, the BPNN model has a relatively stable effect. The R-square (R2) values of different models were all greater than 0.97, the Root Mean Square Error (RMSE) values were all less than 0.0300, and the Relative Percentage Difference (RPD) values were over 6.00. After applying three characteristic wavelength selection algorithms, namely Iterative Retained Information Variable (IRIV), Successive Projections Algorithm (SPA), and Variable Iterative Space Shrinkage Approach (VISSA) algorithms, the classification accuracy values remained over 99.00% while the quantification models' RPD values were over 4.00. These results demonstrate the reliability of using hyperspectral imaging combined with chemometrics methods for the adulteration problems in AR.

在传统中药领域,白术具有燥湿健脾的功效,常用于治疗各种疾病,在东亚地区尤为流行。本研究旨在提出高光谱成像(HSI)与化学计量学方法相结合的方法,用于快速定性和定量检测白术与其他类型粉末的掺假。采用偏最小二乘法判别分析(PLS-DA)和一阶差分法(F-D)预处理方法构建最佳分类模型。分类模型测试集的准确率均在 99% 以上。此外,还采用了偏最小二乘法回归(PLSR)、随机森林回归(RFR)和 BP 神经网络(BPNN)对掺假程度进行定量分析。总体而言,BPNN 模型的效果相对稳定。不同模型的 R 方(R2)值均大于 0.97,均方根误差(RMSE)值均小于 0.0300,相对百分比差(RPD)值均大于 6.00。在应用了三种特征波长选择算法,即迭代保留信息变量算法(IRIV)、连续投影算法(SPA)和可变迭代空间收缩法(VISSA)算法后,分类准确率仍保持在 99.00% 以上,而量化模型的 RPD 值均超过 4.00。这些结果表明,使用高光谱成像结合化学计量学方法来解决 AR 中的掺假问题是可靠的。
{"title":"Rapid qualitative and quantitative detection for adulteration of Atractylodis Rhizoma using hyperspectral imaging combined with chemometric methods.","authors":"Siman Wang, Ruibin Bai, Wanjun Long, Xiufu Wan, Zihan Zhao, Haiyan Fu, Jian Yang","doi":"10.1016/j.saa.2024.125426","DOIUrl":"https://doi.org/10.1016/j.saa.2024.125426","url":null,"abstract":"<p><p>In the field of traditional Chinese medicine, Atractylodis Rhizoma (AR) is commonly used for various diseases due to its excellent ability to dry dampness and strengthen the spleen, especially popular in East Asia. The aim of this study is to proposed Hyperspectral Imaging (HSI) in combination with chemometric methods for the rapid qualitative and quantitative detection of AR adulteration with other types of powder. Partial Least Squares Discriminant Analysis (PLS-DA) was used to construct the classification models the best, with the First-order Derivative (F-D) preprocessing method. The accuracy values of the test sets for classification models were above 99%. Furthermore, Partial Least Squares Regression (PLSR), Random Forest Regression (RFR), and BP Neural Network (BPNN) were used to quantitatively analyze the adulteration level. On the whole, the BPNN model has a relatively stable effect. The R-square (R<sup>2</sup>) values of different models were all greater than 0.97, the Root Mean Square Error (RMSE) values were all less than 0.0300, and the Relative Percentage Difference (RPD) values were over 6.00. After applying three characteristic wavelength selection algorithms, namely Iterative Retained Information Variable (IRIV), Successive Projections Algorithm (SPA), and Variable Iterative Space Shrinkage Approach (VISSA) algorithms, the classification accuracy values remained over 99.00% while the quantification models' RPD values were over 4.00. These results demonstrate the reliability of using hyperspectral imaging combined with chemometrics methods for the adulteration problems in AR.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"327 ","pages":"125426"},"PeriodicalIF":0.0,"publicationDate":"2024-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142635476","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
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