Pub Date : 2022-09-19DOI: 10.1080/00387010.2022.2123000
W. Hardin, Jon. T. Mills, Joseph M. Stuart, Eian B. Sulfridge, Tyler A. Tanner, Thomas W. Jarvis
Abstract We report two-photon absorption in ruby in an experiment simple enough to reproduce in an undergraduate optics course. The high peak power of a femtosecond (fs) pulse from an unamplified titanium:sapphire laser is sufficient to drive a two-photon transition to ruby’s broad absorption bands, with subsequent emission at 694 nm from the metastable state. This experiment uses pulses with tens of nanojoules rather than the tens or hundreds of millijoules required for nanosecond experiments, and can be performed with trivial instrumentation – eliminating photomultiplier tubes in favor of simple, inexpensive photodiodes with no amplification or signal processing. A two-photon measurement provides excellent educational value for undergraduate students and expands the repertoire of pedagogical optics experiments in an interesting direction.
{"title":"Femtosecond excitation of two-photon absorption in ruby","authors":"W. Hardin, Jon. T. Mills, Joseph M. Stuart, Eian B. Sulfridge, Tyler A. Tanner, Thomas W. Jarvis","doi":"10.1080/00387010.2022.2123000","DOIUrl":"https://doi.org/10.1080/00387010.2022.2123000","url":null,"abstract":"Abstract We report two-photon absorption in ruby in an experiment simple enough to reproduce in an undergraduate optics course. The high peak power of a femtosecond (fs) pulse from an unamplified titanium:sapphire laser is sufficient to drive a two-photon transition to ruby’s broad absorption bands, with subsequent emission at 694 nm from the metastable state. This experiment uses pulses with tens of nanojoules rather than the tens or hundreds of millijoules required for nanosecond experiments, and can be performed with trivial instrumentation – eliminating photomultiplier tubes in favor of simple, inexpensive photodiodes with no amplification or signal processing. A two-photon measurement provides excellent educational value for undergraduate students and expands the repertoire of pedagogical optics experiments in an interesting direction.","PeriodicalId":21953,"journal":{"name":"Spectroscopy Letters","volume":"55 1","pages":"552 - 565"},"PeriodicalIF":1.7,"publicationDate":"2022-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49254686","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Abstract Raman spectroscopy is a vibrational spectroscopic technique with which the molecular fingerprint of a microorganism can be elucidated in 1 hr or less. In our study, the utility of this method as a rapid technique for the detection of different pathogens in a clinical microbiology laboratory was tested based on their unique spectra. The reference strains from American Type Culture Collection for frequently encountered pathogens such as Staphylococcus aureus, Escherichia coli, Acinetobacter baumannii, and Pseudomonas aeruginosa were used to capture the signature spectra of these pathogenic species using confocal Raman microscopy. Furthermore, a representative reference library was constructed using the spectra of these standard strains as well as the clinical isolates. The study revealed unique spectral outputs for each bacterial species studied. Importantly, the entire procedure could be performed in an hour. With the development of an extensive database, the spectra of unknown samples can be matched with those in the library, and thus, a new identification system can be developed.
{"title":"Raman spectroscopy as a novel technique for the identification of pathogens in a clinical microbiology laboratory","authors":"Gopika Ramesh, W. Paul, Vishal Valparambil Puthanveetil, Kavita Raja, Jyothi Embekkat Kaviyil","doi":"10.1080/00387010.2022.2120899","DOIUrl":"https://doi.org/10.1080/00387010.2022.2120899","url":null,"abstract":"Abstract Raman spectroscopy is a vibrational spectroscopic technique with which the molecular fingerprint of a microorganism can be elucidated in 1 hr or less. In our study, the utility of this method as a rapid technique for the detection of different pathogens in a clinical microbiology laboratory was tested based on their unique spectra. The reference strains from American Type Culture Collection for frequently encountered pathogens such as Staphylococcus aureus, Escherichia coli, Acinetobacter baumannii, and Pseudomonas aeruginosa were used to capture the signature spectra of these pathogenic species using confocal Raman microscopy. Furthermore, a representative reference library was constructed using the spectra of these standard strains as well as the clinical isolates. The study revealed unique spectral outputs for each bacterial species studied. Importantly, the entire procedure could be performed in an hour. With the development of an extensive database, the spectra of unknown samples can be matched with those in the library, and thus, a new identification system can be developed.","PeriodicalId":21953,"journal":{"name":"Spectroscopy Letters","volume":"55 1","pages":"546 - 551"},"PeriodicalIF":1.7,"publicationDate":"2022-09-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"58986439","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-09-09DOI: 10.1080/00387010.2022.2119253
Maiara Maziero, C. Viana
Abstract This article describes the analysis of aluminum (Al), cadmium (Cd), copper (Cu), molybdenum (Mo), and lead (Pb) in foods for enteral nutrition of chronic renal patients by high-resolution continuum source graphite furnace atomic absorption spectrometry (HR-CS GFAAS) after extraction induced by emulsion breaking. The following wavelengths were used for the detection of analytes 309.2713 nm for Al, 228.8018 nm for Cd, 324.7540 nm for Cu, 313.2594 nm for Mo, and 217.0005 nm for Pb. The detection limits for the methods were 0.022 mg kg−1 for Al, 0.0003 mg kg−1 for Cd, 0.001 mg kg−1 for Cu, 0.009 mg kg−1 for Mo, and 0.002 mg kg−1 for Pb. The precision ranged from 7.3% to 7.8%, 5.1% to 6.3%, 2.5% to 3.8%, 2.8% to 3.4%, and 6.2% to 7.3% for Al, Cd, Cu, Mo, and Pb, respectively. The accuracy of the method was evaluated through recovery tests, which ranged from 92.2% for Cd to 107.2% for Al. Cadmium concentrations in analyzed samples are below the limit allowed by Brazilian legislation (0.01 mg kg−1). However, two samples presented Pb concentration (samples 4 and 5) above the allowed limit (0.01 mg kg−1). Furthermore, all samples analyzed in this work showed relatively considerable quantities of Al (0.72–1.66 mg kg−1), and the concentrations of Cu (samples 3 and 4) and Mo (samples 1 and 5) were obtained were higher than those presented by the manufacturers. The proposed methods for the quantitative determination of the analytes of interest by HR-CS GFAAS after extraction induced by emulsion breaking in foods for enteral nutrition of chronic renal patients proved to be simple, fast, and efficient.
摘要采用高分辨率连续源石墨炉原子吸收光谱法(HR-CS GFAAS)对慢性肾病患者肠内营养食品中的铝(Al)、镉(Cd)、铜(Cu)、钼(Mo)和铅(Pb)进行了乳破诱导提取后的分析。Al的检测波长为309.2713 nm, Cd为228.8018 nm, Cu为324.7540 nm, Mo为313.2594 nm, Pb为217.0005 nm。方法的检出限分别为:Al 0.022 mg kg - 1、Cd 0.0003 mg kg - 1、Cu 0.001 mg kg - 1、Mo 0.009 mg kg - 1、Pb 0.002 mg kg - 1。Al、Cd、Cu、Mo、Pb的精密度分别为7.3% ~ 7.8%、5.1% ~ 6.3%、2.5% ~ 3.8%、2.8% ~ 3.4%和6.2% ~ 7.3%。通过回收率测试评估了该方法的准确性，Cd的回收率为92.2%，Al的回收率为107.2%。分析样品中的镉浓度低于巴西立法允许的限值(0.01 mg kg - 1)。然而，两个样品(样品4和样品5)的铅浓度超过了允许限量(0.01 mg kg - 1)。此外，在本工作中分析的所有样品均显示出相当数量的Al (0.72-1.66 mg kg - 1)，并且获得的Cu(样品3和4)和Mo(样品1和5)的浓度高于制造商提供的浓度。建立了慢性肾脏患者肠内营养食品中破乳诱导提取后的HR-CS GFAAS定量测定目的分析物的方法，简便、快速、高效。
{"title":"Determination of metallic elements in foods for enteral nutrition of chronic renal patients by atomic absorption spectrometry after extraction induced by emulsion breaking","authors":"Maiara Maziero, C. Viana","doi":"10.1080/00387010.2022.2119253","DOIUrl":"https://doi.org/10.1080/00387010.2022.2119253","url":null,"abstract":"Abstract This article describes the analysis of aluminum (Al), cadmium (Cd), copper (Cu), molybdenum (Mo), and lead (Pb) in foods for enteral nutrition of chronic renal patients by high-resolution continuum source graphite furnace atomic absorption spectrometry (HR-CS GFAAS) after extraction induced by emulsion breaking. The following wavelengths were used for the detection of analytes 309.2713 nm for Al, 228.8018 nm for Cd, 324.7540 nm for Cu, 313.2594 nm for Mo, and 217.0005 nm for Pb. The detection limits for the methods were 0.022 mg kg−1 for Al, 0.0003 mg kg−1 for Cd, 0.001 mg kg−1 for Cu, 0.009 mg kg−1 for Mo, and 0.002 mg kg−1 for Pb. The precision ranged from 7.3% to 7.8%, 5.1% to 6.3%, 2.5% to 3.8%, 2.8% to 3.4%, and 6.2% to 7.3% for Al, Cd, Cu, Mo, and Pb, respectively. The accuracy of the method was evaluated through recovery tests, which ranged from 92.2% for Cd to 107.2% for Al. Cadmium concentrations in analyzed samples are below the limit allowed by Brazilian legislation (0.01 mg kg−1). However, two samples presented Pb concentration (samples 4 and 5) above the allowed limit (0.01 mg kg−1). Furthermore, all samples analyzed in this work showed relatively considerable quantities of Al (0.72–1.66 mg kg−1), and the concentrations of Cu (samples 3 and 4) and Mo (samples 1 and 5) were obtained were higher than those presented by the manufacturers. The proposed methods for the quantitative determination of the analytes of interest by HR-CS GFAAS after extraction induced by emulsion breaking in foods for enteral nutrition of chronic renal patients proved to be simple, fast, and efficient.","PeriodicalId":21953,"journal":{"name":"Spectroscopy Letters","volume":"55 1","pages":"534 - 545"},"PeriodicalIF":1.7,"publicationDate":"2022-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46759359","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-09-01DOI: 10.1080/00387010.2022.2117200
Dilip Sing, Subhadip Banerjee, S. N. Jana, Ranajoy Mallik, Sudarshana Ghosh Dastidar, Kalyan Majumdar, A. Bandyopadhyay, Pallab Kanti Haldar, Nanaocha Sharma, P. Mukherjee, R. Bandyopadhyay
Abstract Quality assessment of medicinal, aromatic plants and plant parts, and spices are to large extent based on estimation of active molecules. Such estimations require high cost, time consuming and laboratory bound methods like High Performance Liquid Chromatography. These methods can handle very few samples at a time and have no portability. Raman spectrometer has been demonstrated to be useful in rapid detection and estimation of biological molecules that demonstrate Raman shifts. Hence, a relatively low cost and portable Raman spectrometer was designed with the commercially available components. The compatible software for its use like the graphical user interface and the calibration program were developed. With this spectrometer the Raman shifts obtained with the standard compounds—benzene, chloroform and glacial acetic acid, were quite compatible with the available standard reports. Then, piperine was estimated in black pepper (Piper nigrum) seed extracts and the coefficient of determination (R 2) of 0.98 was obtained for the regression between the high performance liquidchromatography estimates and those based on the Raman spectrometer. The spectrometer can be used for other marker molecules in plants and their products by suitable modifications in the software.
{"title":"Design and demonstration of a portable and low-cost Raman spectrometer for rapid and low-cost estimation of marker molecules in plants","authors":"Dilip Sing, Subhadip Banerjee, S. N. Jana, Ranajoy Mallik, Sudarshana Ghosh Dastidar, Kalyan Majumdar, A. Bandyopadhyay, Pallab Kanti Haldar, Nanaocha Sharma, P. Mukherjee, R. Bandyopadhyay","doi":"10.1080/00387010.2022.2117200","DOIUrl":"https://doi.org/10.1080/00387010.2022.2117200","url":null,"abstract":"Abstract Quality assessment of medicinal, aromatic plants and plant parts, and spices are to large extent based on estimation of active molecules. Such estimations require high cost, time consuming and laboratory bound methods like High Performance Liquid Chromatography. These methods can handle very few samples at a time and have no portability. Raman spectrometer has been demonstrated to be useful in rapid detection and estimation of biological molecules that demonstrate Raman shifts. Hence, a relatively low cost and portable Raman spectrometer was designed with the commercially available components. The compatible software for its use like the graphical user interface and the calibration program were developed. With this spectrometer the Raman shifts obtained with the standard compounds—benzene, chloroform and glacial acetic acid, were quite compatible with the available standard reports. Then, piperine was estimated in black pepper (Piper nigrum) seed extracts and the coefficient of determination (R 2) of 0.98 was obtained for the regression between the high performance liquidchromatography estimates and those based on the Raman spectrometer. The spectrometer can be used for other marker molecules in plants and their products by suitable modifications in the software.","PeriodicalId":21953,"journal":{"name":"Spectroscopy Letters","volume":"55 1","pages":"527 - 533"},"PeriodicalIF":1.7,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49245028","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-08-26DOI: 10.1080/00387010.2022.2116457
Yifan Zhang, Y. Zhang, Fei Sun, Yue Sun, Shumei Wang, J. Meng
Abstract Dried ginger (DG) is the dried rhizome of Zingiber offcinale Rosc. (Fam. Zingiberaceae), Ginger charcoal (GC) is the processed products of DG, due to the difficulty in controlling the processing degree, unqualified processed products (light carbonized ginger, LCG; heavy carbonized ginger, HCG) often appear, which can both affect clinical efficacy. To ensure the quality and safety of DG and its processed products, this paper mainly focused on the feasibility of rapidly determining the quality of DG and its processed products by benchtop-NIR spectrometer and Micro-NIR spectrometer. A total of 100 samples were scanned by benchtop-NIR spectrometer and Micro-NIR spectrometer respectively. The collected NIRS data were qualitatively and quantitatively analyzed by different models. The partial least squares discriminant models established based on the benchtop-NIR and Micro-NIR spectroscopy both have a discrimination rate of 100% for the prediction set. Three characteristic wavelength selection methods (CARS, VCPA-IRIV and VCPA-GA) were used to improve the performance of partial least squares regression model. The results showed that the benchtop-NIR model with the wavelength selected by the CARS algorithm performed best, and the Micro-NIR model performance of the characteristic wavelength selected by the VCPA-IRIV algorithm had a better prediction ability. The consistency evaluation of the prediction models showed that the two instruments had a very good coherence except for the zingerone model. Therefore, A micro-NIR spectrometer combined with an appropriate wavelength selection method can precisely distinguish DG, LCG, MCG and HCG from each other and accurately determine the five gingerol compounds in DG and its processed products.
{"title":"Comparison of benchtop near infrared and micro near infrared spectrometer for quality control of dried ginger and its different degrees of processed products","authors":"Yifan Zhang, Y. Zhang, Fei Sun, Yue Sun, Shumei Wang, J. Meng","doi":"10.1080/00387010.2022.2116457","DOIUrl":"https://doi.org/10.1080/00387010.2022.2116457","url":null,"abstract":"Abstract Dried ginger (DG) is the dried rhizome of Zingiber offcinale Rosc. (Fam. Zingiberaceae), Ginger charcoal (GC) is the processed products of DG, due to the difficulty in controlling the processing degree, unqualified processed products (light carbonized ginger, LCG; heavy carbonized ginger, HCG) often appear, which can both affect clinical efficacy. To ensure the quality and safety of DG and its processed products, this paper mainly focused on the feasibility of rapidly determining the quality of DG and its processed products by benchtop-NIR spectrometer and Micro-NIR spectrometer. A total of 100 samples were scanned by benchtop-NIR spectrometer and Micro-NIR spectrometer respectively. The collected NIRS data were qualitatively and quantitatively analyzed by different models. The partial least squares discriminant models established based on the benchtop-NIR and Micro-NIR spectroscopy both have a discrimination rate of 100% for the prediction set. Three characteristic wavelength selection methods (CARS, VCPA-IRIV and VCPA-GA) were used to improve the performance of partial least squares regression model. The results showed that the benchtop-NIR model with the wavelength selected by the CARS algorithm performed best, and the Micro-NIR model performance of the characteristic wavelength selected by the VCPA-IRIV algorithm had a better prediction ability. The consistency evaluation of the prediction models showed that the two instruments had a very good coherence except for the zingerone model. Therefore, A micro-NIR spectrometer combined with an appropriate wavelength selection method can precisely distinguish DG, LCG, MCG and HCG from each other and accurately determine the five gingerol compounds in DG and its processed products.","PeriodicalId":21953,"journal":{"name":"Spectroscopy Letters","volume":"55 1","pages":"514 - 526"},"PeriodicalIF":1.7,"publicationDate":"2022-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45559155","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-08-19DOI: 10.1080/00387010.2022.2110596
Kinfe Woldegiorges, A. Belay, A. Kebede
Abstract Levofloxacin and norfloxacin are drugs used to treat various infections originating from bacterial species. In this research, the photophysical properties of the drugs were investigated using ultraviolet–visible absorption and fluorescence spectroscopic techniques. The results indicated the fluorescence quantum yields, lifetime, and non-radiative decay of the drugs are affected by solvent polarity and drug concentration. The binding mechanism of levofloxacin–caffeine and norfloxacin–caffeine were determined using the fluorescence quenching method. The quenching of drugs induced by caffeine is due to ground state complexes. The binding occurs spontaneously due to electrostatics, hydrogen and Van der Waals force play a major role in the reaction.
{"title":"Photophysical properties of levofloxacin and norfloxacin drugs and their fluorescence quenching mechanism with caffeine","authors":"Kinfe Woldegiorges, A. Belay, A. Kebede","doi":"10.1080/00387010.2022.2110596","DOIUrl":"https://doi.org/10.1080/00387010.2022.2110596","url":null,"abstract":"Abstract Levofloxacin and norfloxacin are drugs used to treat various infections originating from bacterial species. In this research, the photophysical properties of the drugs were investigated using ultraviolet–visible absorption and fluorescence spectroscopic techniques. The results indicated the fluorescence quantum yields, lifetime, and non-radiative decay of the drugs are affected by solvent polarity and drug concentration. The binding mechanism of levofloxacin–caffeine and norfloxacin–caffeine were determined using the fluorescence quenching method. The quenching of drugs induced by caffeine is due to ground state complexes. The binding occurs spontaneously due to electrostatics, hydrogen and Van der Waals force play a major role in the reaction.","PeriodicalId":21953,"journal":{"name":"Spectroscopy Letters","volume":"55 1","pages":"500 - 513"},"PeriodicalIF":1.7,"publicationDate":"2022-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48184764","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-07-24DOI: 10.1080/00387010.2022.2101476
Yiming Gao, H. Cai, Jing Sun, J. Di
Abstract A fluorescence enhancement method is developed for the detection of ferric ions based on the bovine serum protein -protected silver nanoclusters. The fluorescence intensity of silver nanoclusters is greatly dependent on their size. Furthermore, silver clusters can be oxidized in the presence of ferric ions to form silver ions, which results in a change in the fluorescence intensity due to formation of small nanoclusters. Among them, the silver clusters with 30 silver atoms show weak original fluorescence intensity and can be used to detect ferric ions based on enhancement of fluorescence. The proposed fluorescent method exhibits an excellent linear range of 2 × 10−8−5 × 10−5 M, with a detection limit of 10 nM. This strategy shows good potential for the detection of ferric ions in food and environmental samples.
{"title":"A turn on fluorescent method for the detection of ferric ions based on the size effect of silver nanoclusters","authors":"Yiming Gao, H. Cai, Jing Sun, J. Di","doi":"10.1080/00387010.2022.2101476","DOIUrl":"https://doi.org/10.1080/00387010.2022.2101476","url":null,"abstract":"Abstract A fluorescence enhancement method is developed for the detection of ferric ions based on the bovine serum protein -protected silver nanoclusters. The fluorescence intensity of silver nanoclusters is greatly dependent on their size. Furthermore, silver clusters can be oxidized in the presence of ferric ions to form silver ions, which results in a change in the fluorescence intensity due to formation of small nanoclusters. Among them, the silver clusters with 30 silver atoms show weak original fluorescence intensity and can be used to detect ferric ions based on enhancement of fluorescence. The proposed fluorescent method exhibits an excellent linear range of 2 × 10−8−5 × 10−5 M, with a detection limit of 10 nM. This strategy shows good potential for the detection of ferric ions in food and environmental samples.","PeriodicalId":21953,"journal":{"name":"Spectroscopy Letters","volume":"55 1","pages":"478 - 487"},"PeriodicalIF":1.7,"publicationDate":"2022-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48293950","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-07-21DOI: 10.1080/00387010.2022.2101477
Lianshun Zhang, Shuaibing Yu, Lei Gao, Wei-Wei Meng, Chenfei Fu, Lianzhi Li
Abstract A fluorescence peptide-based sensor (Dansyl-His-Thr-Glu-His-Trp-NH2, D-P5) was synthesized by Fmoc solid phase peptide synthesis, using dansyl group as the fluorophore. The sensor exhibited different fluorescence responses and sensitive detections for copper(II), mercury(II) and zinc(II) ions as a multifunctional sensor. The detailed investigation suggested that the limits of detection were 37.6 nmol⋅L−1, 37.8 nmol⋅L−1 and 59.4 nmol⋅L−1 for copper(II), mercury(II) and zinc(II) ions, respectively, and the highly sensitive sensor was not influenced by other species. The sensor exhibited a strong binding ability to copper(II), mercury(II) and zinc(II) ions with the binding constants of 3.23 × 105 L⋅mol−1, 6.37 × 105 L⋅mol−1 and 6.0 × 104 L⋅mol−1, respectively. The binding stoichiometries of the sensor to copper(II), mercury(II) and zinc(II) ions measured by Job's plot were all 1:1. Furthermore, The sensor has been successfully used for the detections of copper(II), mercury(II) and zinc(II) in actual water samples.
{"title":"Fluorescence spectral detection of copper(II), mercury(II) and zinc(II) based on a multifunctional peptide-based sensor","authors":"Lianshun Zhang, Shuaibing Yu, Lei Gao, Wei-Wei Meng, Chenfei Fu, Lianzhi Li","doi":"10.1080/00387010.2022.2101477","DOIUrl":"https://doi.org/10.1080/00387010.2022.2101477","url":null,"abstract":"Abstract A fluorescence peptide-based sensor (Dansyl-His-Thr-Glu-His-Trp-NH2, D-P5) was synthesized by Fmoc solid phase peptide synthesis, using dansyl group as the fluorophore. The sensor exhibited different fluorescence responses and sensitive detections for copper(II), mercury(II) and zinc(II) ions as a multifunctional sensor. The detailed investigation suggested that the limits of detection were 37.6 nmol⋅L−1, 37.8 nmol⋅L−1 and 59.4 nmol⋅L−1 for copper(II), mercury(II) and zinc(II) ions, respectively, and the highly sensitive sensor was not influenced by other species. The sensor exhibited a strong binding ability to copper(II), mercury(II) and zinc(II) ions with the binding constants of 3.23 × 105 L⋅mol−1, 6.37 × 105 L⋅mol−1 and 6.0 × 104 L⋅mol−1, respectively. The binding stoichiometries of the sensor to copper(II), mercury(II) and zinc(II) ions measured by Job's plot were all 1:1. Furthermore, The sensor has been successfully used for the detections of copper(II), mercury(II) and zinc(II) in actual water samples.","PeriodicalId":21953,"journal":{"name":"Spectroscopy Letters","volume":"55 1","pages":"488 - 499"},"PeriodicalIF":1.7,"publicationDate":"2022-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43334924","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-07-19DOI: 10.1080/00387010.2022.2099424
Serif Habesoglu, A. Atıcı
Abstract Heavy metals may cause serious problems for human health in contaminated water resources. Therefore, this study aimed to evaluate the metal contamination levels in Sihke Pond surface water and assess the possible human health risk for children and adults through ingestion of the surface water. The concentrations of thirteen heavy metals (aluminum, arsenic, cadmium, cobalt, chromium, copper, iron, manganese, molybdenum, nickel, lead, selenium, and zinc) were determined monthly using the inductively coupled plasma-mass spectrometer between September 2019 and August 2020. Heavy metal pollution index and metal index were used to determine the metal pollution level. Non-carcinogenic risks including hazard quotient and hazard index were calculated and the carcinogenic risk values were estimated for both age groups. The mean value of heavy metals was decreased in the order of manganese > molybdenum > iron > chromium > zinc > arsenic > cobalt > copper > nickel > lead > aluminum > cadmium > selenium. The mean heavy metal pollution index value was determined as 110.8 and classified as totally not suitable. The mean metal index value was also included in the slightly affected class. The hazard quotient for arsenic, cobalt, and molybdenum, and hazard index values had values >1 for both groups. The carcinogenic risk caused by arsenic, chromium, and lead were all above the tolerable limit of 1.0 × 10−4. Thus, the non-carcinogenic risk and carcinogenic risk results for children and adults exceed the threshold values. Consequently, the Sihke Pond surface water is contaminated with heavy metals and is not suitable for direct consumption.
{"title":"Assessment of pollution indices and human health risk related to 13 heavy metal contents in surface water of Sihke Pond (Van), Turkey","authors":"Serif Habesoglu, A. Atıcı","doi":"10.1080/00387010.2022.2099424","DOIUrl":"https://doi.org/10.1080/00387010.2022.2099424","url":null,"abstract":"Abstract Heavy metals may cause serious problems for human health in contaminated water resources. Therefore, this study aimed to evaluate the metal contamination levels in Sihke Pond surface water and assess the possible human health risk for children and adults through ingestion of the surface water. The concentrations of thirteen heavy metals (aluminum, arsenic, cadmium, cobalt, chromium, copper, iron, manganese, molybdenum, nickel, lead, selenium, and zinc) were determined monthly using the inductively coupled plasma-mass spectrometer between September 2019 and August 2020. Heavy metal pollution index and metal index were used to determine the metal pollution level. Non-carcinogenic risks including hazard quotient and hazard index were calculated and the carcinogenic risk values were estimated for both age groups. The mean value of heavy metals was decreased in the order of manganese > molybdenum > iron > chromium > zinc > arsenic > cobalt > copper > nickel > lead > aluminum > cadmium > selenium. The mean heavy metal pollution index value was determined as 110.8 and classified as totally not suitable. The mean metal index value was also included in the slightly affected class. The hazard quotient for arsenic, cobalt, and molybdenum, and hazard index values had values >1 for both groups. The carcinogenic risk caused by arsenic, chromium, and lead were all above the tolerable limit of 1.0 × 10−4. Thus, the non-carcinogenic risk and carcinogenic risk results for children and adults exceed the threshold values. Consequently, the Sihke Pond surface water is contaminated with heavy metals and is not suitable for direct consumption.","PeriodicalId":21953,"journal":{"name":"Spectroscopy Letters","volume":"55 1","pages":"464 - 477"},"PeriodicalIF":1.7,"publicationDate":"2022-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47268560","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-07-13DOI: 10.1080/00387010.2022.2098339
S. J. Jenepha Mary, S. Pradhan, C. James
Abstract The antiviral active molecule N–(4–chlorophenyl)–2–[(4,6–di–aminopyrimidin–2–yl)sulfanyl] acetamide has been characterized to obtain vibrational signatures via Raman and Fourier transform infrared spectroscopy, comparing the results generated by ab initio calculations. The density functional theory model, performed by GAUSSIAN 09 packages, based on the Becke, 3-parameter, Lee–Yang–Parr exchange correlation functions augmented with 6–311++(d,p) basis set. The geometric equilibrium, inter and intra-molecular hydrogen bond, and harmonic vibrational wavenumbers of N–(4–chlorophenyl)–2–[(4,6–di–aminopyrimidin–2–yl)sulfanyl]acetamide were explored with density functional theory. The stereo-electronic interactions, leading to stability were confirmed using natural bond orbital analysis, which has been further substantiated by vibrational spectral analysis. Hirshfeld surface gives an insight into intermolecular contacts within the Crystal structure. The optimized geometry shows a non-planar structure between the phenyl ring and the pyrimidine ring. Differences in the geometries due to the substitution of the electronegative chlorine atom, intramolecuar and intermolecular contacts due to the amino pyrimidine were analyzed. NBO analysis reveals the formation of two strong stable hydrogen bonded N–H···N intermolecular interactions and weak intramolecular interactions C–H···O and N–H···O. The Hirshfeld surfaces and consequently the 2D-fingerprint confirm the nature of intermolecular interactions and their quantitative contributions toward the crystal packing. The red shift in N–H stretching frequency exposed from IR substantiate the formation of N–H···N intermolecular hydrogen bond. The pharmacokinetic properties were investigated from adsorption, distribution, metabolism, excretion and toxicity results. In-silico docking shows the inhibition activity against virus.
{"title":"Vibrational spectroscopic signatures, effect of rehybridization and hyperconjugation on the dimer molecule of N–(4–chlorophenyl)–2–[(4,6–di–aminopyrimidin–2–yl)sulfanyl]acetamide- quantum computational approach","authors":"S. J. Jenepha Mary, S. Pradhan, C. James","doi":"10.1080/00387010.2022.2098339","DOIUrl":"https://doi.org/10.1080/00387010.2022.2098339","url":null,"abstract":"Abstract The antiviral active molecule N–(4–chlorophenyl)–2–[(4,6–di–aminopyrimidin–2–yl)sulfanyl] acetamide has been characterized to obtain vibrational signatures via Raman and Fourier transform infrared spectroscopy, comparing the results generated by ab initio calculations. The density functional theory model, performed by GAUSSIAN 09 packages, based on the Becke, 3-parameter, Lee–Yang–Parr exchange correlation functions augmented with 6–311++(d,p) basis set. The geometric equilibrium, inter and intra-molecular hydrogen bond, and harmonic vibrational wavenumbers of N–(4–chlorophenyl)–2–[(4,6–di–aminopyrimidin–2–yl)sulfanyl]acetamide were explored with density functional theory. The stereo-electronic interactions, leading to stability were confirmed using natural bond orbital analysis, which has been further substantiated by vibrational spectral analysis. Hirshfeld surface gives an insight into intermolecular contacts within the Crystal structure. The optimized geometry shows a non-planar structure between the phenyl ring and the pyrimidine ring. Differences in the geometries due to the substitution of the electronegative chlorine atom, intramolecuar and intermolecular contacts due to the amino pyrimidine were analyzed. NBO analysis reveals the formation of two strong stable hydrogen bonded N–H···N intermolecular interactions and weak intramolecular interactions C–H···O and N–H···O. The Hirshfeld surfaces and consequently the 2D-fingerprint confirm the nature of intermolecular interactions and their quantitative contributions toward the crystal packing. The red shift in N–H stretching frequency exposed from IR substantiate the formation of N–H···N intermolecular hydrogen bond. The pharmacokinetic properties were investigated from adsorption, distribution, metabolism, excretion and toxicity results. In-silico docking shows the inhibition activity against virus.","PeriodicalId":21953,"journal":{"name":"Spectroscopy Letters","volume":"55 1","pages":"447 - 463"},"PeriodicalIF":1.7,"publicationDate":"2022-07-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48242251","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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