Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy最新文献

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Methoxyl-modulated high-performance ratiometric fluorescent probe with AIE properties for hypochlorite detection and live cell imaging
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-29 DOI: 10.1016/j.saa.2024.125506
Chenggong Xu, Jinyi Liu, Xinrui Li, Wenjia Dan, Chunbo Lu, Jiangkun Dai
{"title":"Methoxyl-modulated high-performance ratiometric fluorescent probe with AIE properties for hypochlorite detection and live cell imaging","authors":"Chenggong Xu,&nbsp;Jinyi Liu,&nbsp;Xinrui Li,&nbsp;Wenjia Dan,&nbsp;Chunbo Lu,&nbsp;Jiangkun Dai","doi":"10.1016/j.saa.2024.125506","DOIUrl":"10.1016/j.saa.2024.125506","url":null,"abstract":"<div><div>In recent years, the mechanism concerning fluorescence can be modulated by intramolecular charge transfer (ICT) effect has been widely used in the creation of ratiometric fluorescent probes. However, on this basis, further studies on the structure–activity relationship between molecular constitution of probes and their photophysical characteristics, as well as sensing performance remained less comprehensive. In this work, with triphenylamine (TPA) and methylthio as typical fluorophore and recognition groups respectively, an ICT-based hypochlorite (ClO<sup>−</sup>) fluorescent probe named Probe A was initially constructed, and then through ingenious molecular design, the second probe defined as Probe B was successfully prepared by introducing methoxyls as electron donors. The subsequent results showed that, compared with Probe A, the Probe B can exhibit superior aggregation-induced emission (AIE) properties and significant ratiometric fluorescence color change from blue to green within 4 min upon the addition of ClO<sup>−</sup> in a 99 % water content system. Ultimately, the best performing Probe B was successfully applied to ClO<sup>−</sup> detection in real water samples, the creation of portable test strips for naked-eye identification, and live cell imaging.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"329 ","pages":"Article 125506"},"PeriodicalIF":4.3,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142756774","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Colorimetric and fluorescence dual-signal sensing of L-Arginine based on TSPP-TA
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-29 DOI: 10.1016/j.saa.2024.125505
Kun Zheng , Tianfeng Ma , Yanyan Jia , Huan Wang , Huye Li
{"title":"Colorimetric and fluorescence dual-signal sensing of L-Arginine based on TSPP-TA","authors":"Kun Zheng ,&nbsp;Tianfeng Ma ,&nbsp;Yanyan Jia ,&nbsp;Huan Wang ,&nbsp;Huye Li","doi":"10.1016/j.saa.2024.125505","DOIUrl":"10.1016/j.saa.2024.125505","url":null,"abstract":"<div><div>L-Arginine (L-Arg) is an essential basic amino acid for human growth and development. Several health disorders can be caused when the level of L-Arg is too high or weak in the body of a human being. Therefore, the quantification of L-Arg is great importance in the field of life sciences. Based on this, 5,10,15,20-(4-sulphonatophenyl)porphyrin (TSPP) probes with excellent water solubility and high quantum yield were synthesized by one-pot method. It was applied to colorimetric and fluorescence sensing systems. The maximum fluorescence emission wavelength was obtained at 643 nm when the excitation wavelength was set at 515 nm. The fluorescence signal was “ON” state with the purple-red of TSPP solution. The introduction of tannic acid (TA) into the TSPP solution partially converted TSPP to the double protonated form (H<sub>2</sub>TPPS<sup>4−</sup>). In the reaction, electron transfer taken place, leading to a decrease in the absorbance and fluorescence emission intensity of TSPP. This resulted in a color shift of the solution from purplish-red to green, effectively turning the fluorescence signal to an “OFF” state. The absorbance and fluorescence emission intensity of the quenched TSPP were significantly recovered due to the acid-base neutralization reaction occurs between alkaline L-Arg and TA when L-Arg was added to the TSPP-TA dual-signal sensing system. The color of the solution transitioned from green to colorless. Concurrently, the fluorescence signal was activated, marking an “ON” state. Therefore, an “ON-OFF-ON” type colorimetric and fluorescence dual-signal sensing system was constructed with TSPP-TA/L-Arg. The results showed that the linear range of L-Arg in the colorimetric sensing was 3.14 μM–145.20 μM with the detection limit (LOD, S/N = 3) of 0.11 μM. In the fluorescent sensing system, the linear range of L-Arg was 1.49 μM–271.74 μM with the detection limit (LOD, S/N = 3) of 0.07 μM. This dual-signal sensing system, which combined colorimetric and fluorescence indicators, has been effectively utilized for the high-precision and sensitive detection of L-Arg in real-world samples.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"329 ","pages":"Article 125505"},"PeriodicalIF":4.3,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142758881","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Screening method for differentiation of plastic and non-plastic microparticles contaminating store-bought rice
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-29 DOI: 10.1016/j.saa.2024.125496
Aleksandra Dmitrowicz , Agnieszka Kierys , Agnieszka Siedlecka , Łukasz Zbucki , Andrzej Sienkiewicz
{"title":"Screening method for differentiation of plastic and non-plastic microparticles contaminating store-bought rice","authors":"Aleksandra Dmitrowicz ,&nbsp;Agnieszka Kierys ,&nbsp;Agnieszka Siedlecka ,&nbsp;Łukasz Zbucki ,&nbsp;Andrzej Sienkiewicz","doi":"10.1016/j.saa.2024.125496","DOIUrl":"10.1016/j.saa.2024.125496","url":null,"abstract":"<div><div>This article presents a simple and low-cost screening method based on optical microscopy and FT-IR spectroscopy for assessing microparticles found in rice. Five brands of rice packed in paper and foil bags from both the European Union (EU) and non-EU region were tested. Microparticles of various shapes have been found in the rice regardless of the packaging type and origin of the rice. The content of microparticles varies depending on the sample, from 2 to even 12 items per 1 g of rice. Overall, the abundance of microparticles is higher in the case of rice packed in foil bags. Not all identified microparticles are microplastics, but those that are microplastics cannot be directly linked to the composition of the rice package. For a cursory analysis aimed at distinguishing the infrared spectra of non-plastic microparticles (i.e. rice, paper or cellulose) from microplastics, it is sufficient only to analyse the absorption bands above 2800 cm<sup>−1</sup>.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"329 ","pages":"Article 125496"},"PeriodicalIF":4.3,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142756773","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Analysis of vericiguat via ion-pairing with eosin Y as a spectrofluorimetric and spectrophotometric probe: Application to content uniformity test
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-29 DOI: 10.1016/j.saa.2024.125482
Hesham Salem , Dina Z. Mazen , Bassant Hany , Hytham Raafat , Alyaa Alaa , Nourhan Osama , Maimana A. Magdy
{"title":"Analysis of vericiguat via ion-pairing with eosin Y as a spectrofluorimetric and spectrophotometric probe: Application to content uniformity test","authors":"Hesham Salem ,&nbsp;Dina Z. Mazen ,&nbsp;Bassant Hany ,&nbsp;Hytham Raafat ,&nbsp;Alyaa Alaa ,&nbsp;Nourhan Osama ,&nbsp;Maimana A. Magdy","doi":"10.1016/j.saa.2024.125482","DOIUrl":"10.1016/j.saa.2024.125482","url":null,"abstract":"<div><div>Using spectroscopy, quick and sensitive analytical methods based on Eosin Y ion pairing were developed and assessed in order to determine vericiguat with high selectivity and sensitivity. The drug is used for treating symptomatic chronic heart failure (HF), The quenching impact of vericiguat on the Eosin Y’s fluorescence at a pH 3.3, in 0.1 M acetate buffer solution was observed using spectrofluorometric technique. This technique is regarded as the original spectrofluorometric technique for the assay of vericiguat. The quenching effect on fluorescence was ranged from 100 to 1000 ng mL<sup>−1</sup>. The absorbance of the generated ion-pair was measured using spectrophotometric method at 550 nm in aqueous buffered solutions with pH 3.3. In the concentration range of 1.0–10.0 µg mL<sup>−1</sup>, Beer’s law was followed. The two approaches were applied to the analysis of dosage forms with a high percent recovery successfully, and they were assessed in compliance with ICH guidelines. Moreover, the method’s sustainability was evaluated and compared to the published method using two greenness assessment tools termed analytical eco-scale and Analytical GREENness (AGREE). That findings suggest that the method is more sustainable than the published method.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"329 ","pages":"Article 125482"},"PeriodicalIF":4.3,"publicationDate":"2024-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142758879","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Design and optimization of encapsulated sensor materials with diverse binding sites for efficient cyanide ion detection
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-28 DOI: 10.1016/j.saa.2024.125512
Palanisamy Jayasudha, Ramalingam Manivannan, Young-A Son
{"title":"Design and optimization of encapsulated sensor materials with diverse binding sites for efficient cyanide ion detection","authors":"Palanisamy Jayasudha,&nbsp;Ramalingam Manivannan,&nbsp;Young-A Son","doi":"10.1016/j.saa.2024.125512","DOIUrl":"10.1016/j.saa.2024.125512","url":null,"abstract":"<div><div>Developing colorimetric and fluorimetric sensors with a new design strategy incorporates the same electron donor and acceptor units by changing the binding site by expecting different mechanisms. The sensors <strong>YS</strong> and <strong>RS</strong> have the D-π-A concept, having phenothiazine as an electron donor and benzothiazole as an electron acceptor for sensing cyanide ions in various spectral techniques. Both the sensors showed an efficient color change with cyanide ion in day light and UV light, which was confirmed by UV–vis and Fluorescence spectral analysis. The mechanism of sensing cyanide ion by the sensor <strong>YS</strong> via hydrogen bond formation followed by deprotonation and <strong>RS</strong> via nucleophilic addition reaction was confirmed with a <sup>1</sup>H NMR, FT-IR and HRMS spectral studies. The detection limit was found to be 1.36 μM and 0.78 μM by UV–vis, 0.13 nM and 0.39 nM by fluorescence technique are for sensors <strong>YS</strong> and <strong>RS</strong>, which are significantly lower than the WHO criterion of 1.9 μM for cyanide ions in water used for drinking. Furthermore, the real-world application showed that the sensors could quantitatively identify the quantity of cyanide ion present in different types of water samples. Besides, the fabricated test strips make the sensors easy to utilize for detecting CN<sup>−</sup> in the field without the need for complicated devices. Also, the developed sensor-encapsulated Polysulfone (PSF) capsule kit effectively senses cyanide ion in water.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"329 ","pages":"Article 125512"},"PeriodicalIF":4.3,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142756772","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Aging analyses of transformer oil based on optical properties of LIF spectroscopy
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-28 DOI: 10.1016/j.saa.2024.125462
Zahra Zare , Parviz Parvin , Amir Jafargholi , Ahmad Reza Rabbani , S. Zahra Mortazavi
{"title":"Aging analyses of transformer oil based on optical properties of LIF spectroscopy","authors":"Zahra Zare ,&nbsp;Parviz Parvin ,&nbsp;Amir Jafargholi ,&nbsp;Ahmad Reza Rabbani ,&nbsp;S. Zahra Mortazavi","doi":"10.1016/j.saa.2024.125462","DOIUrl":"10.1016/j.saa.2024.125462","url":null,"abstract":"<div><div>Here, the real time pyrolysis characteristics, the degradation degree and the aging time of the transformer oil have been investigated using laser induced fluorescence (LIF) spectroscopy. The signal elevation up to four-fold and the lucid red shift up to 10 nm are obtained against those of fresh oil. The fluorescence signal and the corresponding spectral shift are demonstrated to follow a linear correlation in terms of aging time. It mainly arises from the gradual alteration of the fluorescence properties of the transformer oil’s aromatic rings during steady operation of the power transformer. In fact, the degraded oil undergoes the transition from mono cyclic aromatic rings to poly cyclic ones as well as the abundant poly cyclic rings with the aging time. Moreover, the fluorescence parameters obviously elucidate the real time competence of LIF to assess various degrees of oil degradation via steady sampling in the operational power transformers. Furthermore, the empirical findings are supported by FTIR, TGA and UV-PL accompanying the fluid mechanical/chemical routine tests. FTIR spectra and TG analyses, alongside the other characteristic measurements strongly indicate the increasing population of aromatic hydrocarbons, and the elevation of the activation energy in terms of aging time.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"329 ","pages":"Article 125462"},"PeriodicalIF":4.3,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142744021","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Construction of water-soluble fluorescent probes supported by carboxymethyl chitosan
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-28 DOI: 10.1016/j.saa.2024.125507
Mei Yang , Xiangxiang Li , Jun Zhang , Chunwei Yu
{"title":"Construction of water-soluble fluorescent probes supported by carboxymethyl chitosan","authors":"Mei Yang ,&nbsp;Xiangxiang Li ,&nbsp;Jun Zhang ,&nbsp;Chunwei Yu","doi":"10.1016/j.saa.2024.125507","DOIUrl":"10.1016/j.saa.2024.125507","url":null,"abstract":"<div><div>Two novel Al<sup>3+</sup> fluorescent probes, <strong>CMCS-P<sub>1</sub></strong> and <strong>CMCS-P<sub>2</sub></strong>, were independently designed and synthesized by modifying the C-2 amino group of carboxymethyl chitosan with benzoyl hydrazide derivatives. The successful incorporation of the benzoyl hydrazide-derived probes was confirmed through FT-IR and <sup>1</sup>H NMR spectroscopy. The sensing performance demonstrated that <strong>CMCS-P<sub>1</sub></strong> and <strong>CMCS-P<sub>2</sub></strong> could selectively distinguish Al<sup>3+</sup> from various metal ions, and the proposed probes both demonstrated excellent water solubility and exhibited a highly selective “turn-on” fluorescence response to Al<sup>3+</sup> in pure aqueous solution. <strong>CMCS-P<sub>1</sub></strong> exhibited a broad linear fluorescence response to Al<sup>3+</sup> concentrations from 1.0 to 20.0 µM, featuring a detection limit of 0.33 µM, <strong>CMCS-P<sub>2</sub></strong> displayed a more limited linear response in the range of 3.0–7.0 µM, with a detection limit of 1.0 µM. Additionally, a small-molecule fluorescent probe <strong>P<sub>2</sub></strong> was synthesized to explore binding efficiency, and fluorescence imaging in living cells was conducted to successfully detect Al<sup>3+</sup> with promising results.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"329 ","pages":"Article 125507"},"PeriodicalIF":4.3,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142758878","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Silver nano-colloid particles embedded on Langmuir-Blodgett film matrix of stearic acid serving as a SERS active sensor for detecting the herbicide ‘Paraquat’
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-28 DOI: 10.1016/j.saa.2024.125514
Anabadya Pal , Priyabrata Maity , Md Azaharuddin , Soumajit Chakrabarty , Susmita Nandi , Abhijit Das , Sourav Ghosh , Upasana Sett , Pathikrit Bandopadhyay , Sanchita Nandy , Joydeep Chowdhury , Tarakdas Basu
{"title":"Silver nano-colloid particles embedded on Langmuir-Blodgett film matrix of stearic acid serving as a SERS active sensor for detecting the herbicide ‘Paraquat’","authors":"Anabadya Pal ,&nbsp;Priyabrata Maity ,&nbsp;Md Azaharuddin ,&nbsp;Soumajit Chakrabarty ,&nbsp;Susmita Nandi ,&nbsp;Abhijit Das ,&nbsp;Sourav Ghosh ,&nbsp;Upasana Sett ,&nbsp;Pathikrit Bandopadhyay ,&nbsp;Sanchita Nandy ,&nbsp;Joydeep Chowdhury ,&nbsp;Tarakdas Basu","doi":"10.1016/j.saa.2024.125514","DOIUrl":"10.1016/j.saa.2024.125514","url":null,"abstract":"<div><div>The herbicide Paraquat, widely used for efficient weed control, poses significant health risks to humans viz., severe toxicity to vital organs and induction of neurodegenerative disorder like Parkinson’s disease, underscoring the urgent need for developing sensitive detection methods for the herbicide. This study aims at fabricating a novel SERS-active substrate SA-LB/Ag (silver nano-colloids adsorbed on Langmuir-Blodgett film of stearic acid), as a SERS based sensor having high sensitivity, uniformity, and reproducibility to detect ultra-trace amounts of paraquat. The sensor was built up by immersing bilayer LB films of SA in silver nano-colloid suspension, prepared by mixing silver nitrate and sodium borohydride with vigorous stirring. Quantitative evaluations establish a significant linear regression across the concentration spectrum (100 ppm to 75 ppb) of paraquat, with a remarkable 15 ppb limit of detection (LOD) value. In practical terms, this SERS based sensor exhibits notable proficiency in detecting paraquat residues in (a) agricultural water from rice and vegetable fields and environmental water from adjoining water-logged areas, and (b) soil extracts of the agricultural fields. Moreover, the minimum toxic concentration of paraquat at the developmental stage of zebrafish embryos and larvae is found to be approximately 20 ppb, implying that the SA-LB/Ag sensor is sensitive enough to determine the limiting toxic level of paraquat for animal systems. Thus, the designed sensor holds far-reaching implications in ensuring food safety, monitoring the environment, and framing regulatory measures for paraquat use.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"329 ","pages":"Article 125514"},"PeriodicalIF":4.3,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142756771","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis, photophysical, linear, and non-linear optical properties of 4-methoxyphenyl dicyanovinylene dyes: DFT and TD-DFT studies
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-27 DOI: 10.1016/j.saa.2024.125484
Mayuri S. Bagal, Aishwarya Zambare, Suryapratap Sharma, Nagaiyan Sekar
{"title":"Synthesis, photophysical, linear, and non-linear optical properties of 4-methoxyphenyl dicyanovinylene dyes: DFT and TD-DFT studies","authors":"Mayuri S. Bagal,&nbsp;Aishwarya Zambare,&nbsp;Suryapratap Sharma,&nbsp;Nagaiyan Sekar","doi":"10.1016/j.saa.2024.125484","DOIUrl":"10.1016/j.saa.2024.125484","url":null,"abstract":"<div><div>Dyes were synthesized via Knoevenagel condensation using various aldehydes of julolidine, n-hexylcarbazole, n-hexylphenothiazine, triphenylamine, and 7-N, N-diethylaminocoumarin named as <strong>MB1, MB2</strong>, <strong>MB3</strong>, <strong>MB4,</strong> and <strong>MB5</strong>. The dyes were characterized using FT-IR, <sup>1</sup>H NMR, <sup>13</sup>C NMR, and HRMS, which provided detailed structural information. Significant absorption, emission, and Stokes shift properties were observed through spectroscopic analysis. Notably, <strong>MB2</strong>, <strong>MB3</strong>, and <strong>MB4</strong> exhibited solid-state and aggregation-induced emission (AIE) properties. <strong>MB1</strong>, <strong>MB3</strong>, and <strong>MB4</strong> showed high viscosity sensitivity in polar solvents. Dyes containing nitrogen donors (<strong>MB1</strong>, <strong>MB2</strong>, and <strong>MB3</strong>) demonstrated acidochromism, responding to trifluoroacetic acid, while <strong>MB4</strong> and <strong>MB5</strong> remained neutral. Solvatochromic analysis indicated enhanced hyperpolarizabilities (<span><math><msub><mrow><mi>α</mi></mrow><mrow><mrow><mi>C</mi></mrow><mrow><mi>T</mi></mrow></mrow></msub></math></span>, <span><math><msub><mrow><mi>β</mi></mrow><mrow><mrow><mi>C</mi></mrow><mrow><mi>T</mi></mrow></mrow></msub></math></span> and <span><math><msub><mrow><mi>γ</mi></mrow><mrow><mrow><mi>C</mi></mrow><mrow><mi>T</mi></mrow></mrow></msub></math></span>) in polar solvents, with <strong>MB1</strong> exhibiting the highest linear and second-order hyperpolarizability, making it ideal for non-linear optical (NLO) applications. <strong>MB5</strong> also showed a notable solvent polarity response. Computational studies using B3LYP and CAM-B3LYP functionals confirmed increased hyperpolarizabilities in polar environments. All dyes displayed solvatochromism and promising NLO properties, with <strong>MB3</strong> and <strong>MB5</strong> showing lower band gaps and higher dipole moments in polar solvents, indicating their potential for photonics, bioimaging, and sensors.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"329 ","pages":"Article 125484"},"PeriodicalIF":4.3,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142758874","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Classification of commercial plastics using hyperspectral long wave infrared emission imaging
IF 4.3 2区 化学
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy Pub Date : 2024-11-27 DOI: 10.1016/j.saa.2024.125501
Mads Nibe Larsen , Anders Løchte Jørgensen , Martin Lahn Henriksen , Victor Petrunin , Jakob Kjelstrup-Hansen , Bjarke Jørgensen , Mogens Hinge
{"title":"Classification of commercial plastics using hyperspectral long wave infrared emission imaging","authors":"Mads Nibe Larsen ,&nbsp;Anders Løchte Jørgensen ,&nbsp;Martin Lahn Henriksen ,&nbsp;Victor Petrunin ,&nbsp;Jakob Kjelstrup-Hansen ,&nbsp;Bjarke Jørgensen ,&nbsp;Mogens Hinge","doi":"10.1016/j.saa.2024.125501","DOIUrl":"10.1016/j.saa.2024.125501","url":null,"abstract":"<div><div>The long wave infrared regime of the electromagnetic spectrum has been used to identify and classify different types of plastics. This work presents an early-stage version of an industrial hyperspectral camera, which is based on a low-order scanning Fabry-Pérot interferometer and is sensitive to radiation with wavelengths from 8 µm to 15 µm. As a demonstration, the setup is used to record interferograms and distinguish between twelve types of common plastics heated to 60 °C. The plastic identification is based on a nine-component principal component analysis model combined with k-nearest neighbors. The resulting model shows a micro precision of 90 % and a macro specificity of 99 %, being able to classify all tested plastic types except ABS.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"329 ","pages":"Article 125501"},"PeriodicalIF":4.3,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142758880","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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