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.
{"title":"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.","authors":"Qian Zhou, Dankui Liao, Haibo Liu, Lei Wang, Xueping Zhang, Lixia Sun, Zhangfa Tong, Xuezhen Feng, Guangzhi Zhou","doi":"10.1016/j.saa.2024.125433","DOIUrl":"https://doi.org/10.1016/j.saa.2024.125433","url":null,"abstract":"<p><p>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.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"328 ","pages":"125433"},"PeriodicalIF":0.0,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142678145","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}
Pub Date : 2024-11-13DOI: 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.
{"title":"Robust and sensitive colorimetric detection of glutathione with double-triggering MOF-Fe(DTNB).","authors":"Kaining Zhang, Hao Sun, Long Wei, Rui Hu, Hao Liu, Yongchao Lai, Xun Li","doi":"10.1016/j.saa.2024.125439","DOIUrl":"https://doi.org/10.1016/j.saa.2024.125439","url":null,"abstract":"<p><p>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 (H<sub>2</sub>O<sub>2</sub>). 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.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"328 ","pages":"125439"},"PeriodicalIF":0.0,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142678128","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}
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.
{"title":"Smartphone-based colorimetric paper chip sensor using single-atom nanozyme for the detection of carbofuran pesticide residues in vegetables.","authors":"Lifan Zhang, Ziyue Lang, Bozhi Lu, Tinglan Yang, Xinyi Zhang, Muxue Wang, Xiaomei Zhang, Hongmei Cao, Daixin Ye","doi":"10.1016/j.saa.2024.125415","DOIUrl":"10.1016/j.saa.2024.125415","url":null,"abstract":"<p><p>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)<sub>2</sub> 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.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"327 ","pages":"125415"},"PeriodicalIF":0.0,"publicationDate":"2024-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142669746","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}
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。
{"title":"Sunlight-induced degradation of squarazine-based cyanide complex through imine CN free rotation: Sensing, binding and degradation studies of anionic complex.","authors":"Poomanirajeshwari Kathirvelu, Murugan Gowripriya, Ariputhiran Muthulakshmi, Vanthana Jeyasingh, Kumaresan Murugesan, Sudha Lakshminarayanan, Selvapalam Narayanan, Lakshminarayanan Piramuthu","doi":"10.1016/j.saa.2024.125404","DOIUrl":"https://doi.org/10.1016/j.saa.2024.125404","url":null,"abstract":"<p><p>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 <sup>1</sup>H, 19F, <sup>31</sup>P-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 × 10<sup>3</sup> 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.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"327 ","pages":"125404"},"PeriodicalIF":0.0,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142645312","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}
Pub Date : 2024-11-12DOI: 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.
{"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}
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.
{"title":"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.","authors":"Fereshteh Zarnooshe Farahani, Mahmoud Reza Sohrabi, Fariba Tadayon","doi":"10.1016/j.saa.2024.125399","DOIUrl":"https://doi.org/10.1016/j.saa.2024.125399","url":null,"abstract":"<p><p>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 (R<sup>2</sup>) 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.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"327 ","pages":"125399"},"PeriodicalIF":0.0,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142645356","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}
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.
{"title":"New near-infrared fluorescent probe for imaging superoxide anion of cell membrane.","authors":"Bokai Ma, Ziyin Chai, Ya Liu, Zixu He, Xinqi Chen, Chong Qian, Yongjia Chen, Weizhi Wang, Zihui Meng","doi":"10.1016/j.saa.2024.125431","DOIUrl":"https://doi.org/10.1016/j.saa.2024.125431","url":null,"abstract":"<p><p>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.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"327 ","pages":"125431"},"PeriodicalIF":0.0,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142645354","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}
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.
{"title":"A glutathione-sensitive small molecule fluorescent probe for rapid and facile gut microbiota sensing.","authors":"Hongli Tan, Meizi Zeng, Cong Fang, Xiaohua Zhu, Meiling Liu, Ying Long, Haitao Li, Youyu Zhang, Shouzhuo Yao","doi":"10.1016/j.saa.2024.125408","DOIUrl":"https://doi.org/10.1016/j.saa.2024.125408","url":null,"abstract":"<p><p>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.</p>","PeriodicalId":94213,"journal":{"name":"Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy","volume":"327 ","pages":"125408"},"PeriodicalIF":0.0,"publicationDate":"2024-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142650038","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}
Pub Date : 2024-11-10DOI: 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.
{"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}
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}