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A Turn-On Fluorescence Probe Based on GSH-Protected Silver Nanoclusters for the Selective Detection of Pb2+
IF 3.2 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2024-12-09 DOI: 10.1002/bio.70050
Taiqun Yang, Lei Li, Cheng Ye, Chaoqun Ma, Hui Gao, Chun Zhu, Guoqing Chen

Glutathione-protected silver nanoclusters (GSH-AgNCs) with good photostability were successfully synthesized through a one-pot heating process. The resultant GSH-AgNCs with an average diameter of ~1.6 nm exhibit red fluorescence (λem = 650 nm), and the fluorescence is excitation independent. Strong aggregation-induced emission (AIE) effect was observed in GSH-AgNCs, which can be induced by solvent and metal ions. In particular, a specific fluorescence enhancement was detected upon interaction with lead ions (Pb2+). A fluorescent probe was designed for off–on detection of Pb2+ based on as-synthesized GSH-AgNCs. Under the optimum parameters, two linear response intervals were found between the relative fluorescence intensity and the concentration of Pb2+ in the range of 10–250 μM (R2 = 0.9900) and 400–1000 μM (R2 = 0.9930). Significant fluorescence color evolutions observed under UV light, resulting in a semiquantitative visual detection of Pb2+. A possible detection mechanism based on the interaction between GSH-AgNCs and Pb2+ is discussed.

{"title":"A Turn-On Fluorescence Probe Based on GSH-Protected Silver Nanoclusters for the Selective Detection of Pb2+","authors":"Taiqun Yang,&nbsp;Lei Li,&nbsp;Cheng Ye,&nbsp;Chaoqun Ma,&nbsp;Hui Gao,&nbsp;Chun Zhu,&nbsp;Guoqing Chen","doi":"10.1002/bio.70050","DOIUrl":"10.1002/bio.70050","url":null,"abstract":"<div>\u0000 \u0000 <p>Glutathione-protected silver nanoclusters (GSH-AgNCs) with good photostability were successfully synthesized through a one-pot heating process. The resultant GSH-AgNCs with an average diameter of ~1.6 nm exhibit red fluorescence (λ<sub>em</sub> = 650 nm), and the fluorescence is excitation independent. Strong aggregation-induced emission (AIE) effect was observed in GSH-AgNCs, which can be induced by solvent and metal ions. In particular, a specific fluorescence enhancement was detected upon interaction with lead ions (Pb<sup>2+</sup>). A fluorescent probe was designed for off–on detection of Pb<sup>2+</sup> based on as-synthesized GSH-AgNCs. Under the optimum parameters, two linear response intervals were found between the relative fluorescence intensity and the concentration of Pb<sup>2+</sup> in the range of 10–250 μM (<i>R</i><sup>2</sup> = 0.9900) and 400–1000 μM (<i>R</i><sup>2</sup> = 0.9930). Significant fluorescence color evolutions observed under UV light, resulting in a semiquantitative visual detection of Pb<sup>2+</sup>. A possible detection mechanism based on the interaction between GSH-AgNCs and Pb<sup>2+</sup> is discussed.</p>\u0000 </div>","PeriodicalId":49902,"journal":{"name":"Luminescence","volume":"39 12","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142802874","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}
引用次数: 0
Novel Benzothiazole–Benzonitrile-Based Fluorescent Chromophore: Synthesis, DFT, Antimicrobial Properties
IF 3.2 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2024-12-09 DOI: 10.1002/bio.70038
Samar Y. Al Nami, Aisha Hossan

The synthetic strategy for the benzothiazole–benzonitrile chromophore 6 involved three sequences of reactions. It was initiated by condensation of 2-amino-4-nitrothiophenol (2) with 4-(piperidin-1-yl)benzaldehyde (1) to produce the corresponding 5-nitrobenzothiazole compound 3 followed by reduction of compound 3 into the 5-aminobenzothiazole compound 4 and then ended by condensation of 5-aminobenzothiazole compound 4 with 4-formylbenzonitrile (5). The chromophore's absorption and emission spectra have been measured in EtOH and presented good Stokes' shift (ν¯$$ Delta overline{nu} $$ = 8363 cm−1). The DFT configuration of the frontier molecular orbits in gas and solvated ground state (So) were compared with the solvated excited state (S1). The synthesized chromophore 6 was assessed for its antimicrobic properties against a group of bacterial and fungal strains. The minimum inhibitory concentration (MIC) values were determined using standard broth microdilution assay. Notably, chromophore 6 exhibited remarkable MIC values against Staphylococcus aureus and Escherichia coli (< 48 and < 118 μg/mL). Regarding the antibacterial effectiveness against both S. aureus and E. coli, molecular docking was performed to simulate their binding interactions with two protein structures, PDB:2eg7 and PDB:3u2k. The SwissADME study has been applied to explore the pharmacokinetic and pharmacodynamic characteristics of chromophore 6.

{"title":"Novel Benzothiazole–Benzonitrile-Based Fluorescent Chromophore: Synthesis, DFT, Antimicrobial Properties","authors":"Samar Y. Al Nami,&nbsp;Aisha Hossan","doi":"10.1002/bio.70038","DOIUrl":"10.1002/bio.70038","url":null,"abstract":"<div>\u0000 \u0000 <p>The synthetic strategy for the benzothiazole–benzonitrile chromophore <b>6</b> involved three sequences of reactions. It was initiated by condensation of 2-amino-4-nitrothiophenol (<b>2</b>) with 4-(piperidin-1-yl)benzaldehyde (<b>1</b>) to produce the corresponding 5-nitrobenzothiazole compound <b>3</b> followed by reduction of compound <b>3</b> into the 5-aminobenzothiazole compound <b>4</b> and then ended by condensation of 5-aminobenzothiazole compound <b>4</b> with 4-formylbenzonitrile (<b>5</b>). The chromophore's absorption and emission spectra have been measured in EtOH and presented good Stokes' shift (<span></span><math>\u0000 <semantics>\u0000 <mrow>\u0000 <mo>∆</mo>\u0000 <mover>\u0000 <mi>ν</mi>\u0000 <mo>¯</mo>\u0000 </mover>\u0000 </mrow>\u0000 <annotation>$$ Delta overline{nu} $$</annotation>\u0000 </semantics></math> = 8363 cm<sup>−1</sup>). The DFT configuration of the frontier molecular orbits in gas and solvated ground state (S<sub>o</sub>) were compared with the solvated excited state (S<sub>1</sub>). The synthesized chromophore <b>6</b> was assessed for its antimicrobic properties against a group of bacterial and fungal strains. The minimum inhibitory concentration (MIC) values were determined using standard broth microdilution assay. Notably, chromophore <b>6</b> exhibited remarkable MIC values against <i>Staphylococcus aureus</i> and <i>Escherichia coli</i> (&lt; 48 and &lt; 118 μg/mL). Regarding the antibacterial effectiveness against both <i>S. aureus</i> and <i>E. coli</i>, molecular docking was performed to simulate their binding interactions with two protein structures, PDB:2eg7 and PDB:3u2k. The SwissADME study has been applied to explore the pharmacokinetic and pharmacodynamic characteristics of chromophore <b>6</b>.</p>\u0000 </div>","PeriodicalId":49902,"journal":{"name":"Luminescence","volume":"39 12","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142802888","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}
引用次数: 0
Fabrication of a Random Laser by Embedding Copper Oxide Nanoparticles in Nonmetallic Host Media
IF 3.2 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2024-12-04 DOI: 10.1002/bio.70030
Noor E. Naji, Ali A. Aljubouri, Raid A. Ismail

In this work, a simple, low-cost method for fabricating random gain media from Rhodamine B dye solution containing highly-pure CuO nanoparticles in transparent resin hosts is proposed. The spectroscopic characteristics of the dye solution samples were investigated with varying dye concentrations, along with nanoparticles of different particle sizes and concentrations. The fabricated samples were excited using two laser sources (405 and 530 nm) to record the fluorescence spectra. Our findings indicate that nanoparticles ranging in size from 15 to 78 nm may not have a significant impact on the fluorescence intensity or the peak wavelength at which maximum fluorescence occurs. Additionally, the fluorescence peak width, centered around 595 nm showed minimal sensitivity to the variation in particle size. The optimal concentration of nanoparticles in the dye solution was determined based on the optimum values of scattering spectral width and anisotropy parameter. Subsequently, the gain coefficient was calculated and correlated with these two parameters. It was found that the samples with the highest fluorescence intensity can be achieved using dye dissolved in transparent resin at a molar concentration of 5 × 10−5 M, containing 0.03–0.04 mg of CuO nanoparticles with a particle size of 78 nm.

{"title":"Fabrication of a Random Laser by Embedding Copper Oxide Nanoparticles in Nonmetallic Host Media","authors":"Noor E. Naji,&nbsp;Ali A. Aljubouri,&nbsp;Raid A. Ismail","doi":"10.1002/bio.70030","DOIUrl":"10.1002/bio.70030","url":null,"abstract":"<div>\u0000 \u0000 <p>In this work, a simple, low-cost method for fabricating random gain media from Rhodamine B dye solution containing highly-pure CuO nanoparticles in transparent resin hosts is proposed. The spectroscopic characteristics of the dye solution samples were investigated with varying dye concentrations, along with nanoparticles of different particle sizes and concentrations. The fabricated samples were excited using two laser sources (405 and 530 nm) to record the fluorescence spectra. Our findings indicate that nanoparticles ranging in size from 15 to 78 nm may not have a significant impact on the fluorescence intensity or the peak wavelength at which maximum fluorescence occurs. Additionally, the fluorescence peak width, centered around 595 nm showed minimal sensitivity to the variation in particle size. The optimal concentration of nanoparticles in the dye solution was determined based on the optimum values of scattering spectral width and anisotropy parameter. Subsequently, the gain coefficient was calculated and correlated with these two parameters. It was found that the samples with the highest fluorescence intensity can be achieved using dye dissolved in transparent resin at a molar concentration of 5 × 10<sup>−5</sup> M, containing 0.03–0.04 mg of CuO nanoparticles with a particle size of 78 nm.</p>\u0000 </div>","PeriodicalId":49902,"journal":{"name":"Luminescence","volume":"39 12","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142781702","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}
引用次数: 0
Involvement of CN Sites in Solvothermally Engineered Metal-Free Carbon Material From Weed Lantana camara for the Detection of Mercury Ions: Experimental and DFT Insights
IF 3.2 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2024-12-04 DOI: 10.1002/bio.70036
Sahil, Abhishek Soni, Jagadeesh Suriyaprakash, Raghubir Singh, Neeraj Gupta

Embarking on a journey to decipher the role of active sites in the detection and removal of toxic mercury(II) ions from polluted water, the surface of thermally engineered biomass derived carbon matrix NC-180 was customized with nitrogen atoms. The HR-TEM and XRD analyses revealed the amorphous nature of Lantana camara derived carbon material with small spherical flakes embedded in it. XPS analysis indicated the presence of pyrrolic, pyridinic, and graphitic N atoms, which was further confirmed by FT-IR analysis. The material shows quenching effect in presence of Hg2+ ions resulting in the “turn off” effect with a detection limit of 7.2 nM. The activity of NC-180 was recovered through “turn on” effect in the presence of L-cysteine. Furthermore, the mystery of binding of mercury(II) ions with N-sites is clarified through its comparison with other materials bearing sulfur and oxygen functional groups designated as AC-180, SC-180, and NSC-180. The conclusive evidence for efficient binding of nitrogen sites in NC-180 with mercury(II) ions is derived from various analyses, including 1H-NMR, FT-IR, XPS, and density functional theory. Notably, sustainability is achieved through utilization of toxic weed L. camara for the preparation of this selective carbon material for detection and adsorption of mercury(II) ions.

{"title":"Involvement of CN Sites in Solvothermally Engineered Metal-Free Carbon Material From Weed Lantana camara for the Detection of Mercury Ions: Experimental and DFT Insights","authors":"Sahil,&nbsp;Abhishek Soni,&nbsp;Jagadeesh Suriyaprakash,&nbsp;Raghubir Singh,&nbsp;Neeraj Gupta","doi":"10.1002/bio.70036","DOIUrl":"10.1002/bio.70036","url":null,"abstract":"<div>\u0000 \u0000 <p>Embarking on a journey to decipher the role of active sites in the detection and removal of toxic mercury(II) ions from polluted water, the surface of thermally engineered biomass derived carbon matrix NC-180 was customized with nitrogen atoms. The HR-TEM and XRD analyses revealed the amorphous nature of <i>Lantana camara</i> derived carbon material with small spherical flakes embedded in it. XPS analysis indicated the presence of pyrrolic, pyridinic, and graphitic N atoms, which was further confirmed by FT-IR analysis. The material shows quenching effect in presence of Hg<sup>2+</sup> ions resulting in the “turn off” effect with a detection limit of 7.2 nM. The activity of NC-180 was recovered through “turn on” effect in the presence of L-cysteine. Furthermore, the mystery of binding of mercury(II) ions with N-sites is clarified through its comparison with other materials bearing sulfur and oxygen functional groups designated as AC-180, SC-180, and NSC-180. The conclusive evidence for efficient binding of nitrogen sites in NC-180 with mercury(II) ions is derived from various analyses, including <sup>1</sup>H-NMR, FT-IR, XPS, and density functional theory. Notably, sustainability is achieved through utilization of toxic weed <i>L. camara</i> for the preparation of this selective carbon material for detection and adsorption of mercury(II) ions.</p>\u0000 </div>","PeriodicalId":49902,"journal":{"name":"Luminescence","volume":"39 12","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142781703","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}
引用次数: 0
Exploration of the Mechanism of Guaijaverin in Inhibiting Pancreatic Lipase Based on Multispectral Method, Molecular Docking, and Oral Lipid Tolerance Test in Rats
IF 3.2 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2024-12-04 DOI: 10.1002/bio.70029
Xinyu Gao, Kaijie Jia, Hong Li, Shujun Liu, Yang Wang, Jinlong Tian, Xin Zhao, Pan Zhao

This study aims to investigate the action mechanism of guaijaverin on pancreatic lipase from multiple perspectives and provide a theoretical basis for the search for new pancreatic lipase inhibitors. The inhibition of pancreatic lipase by guaijaverin was investigated through enzyme inhibition activity experiments, and the IC50 was calculated to determine the type of inhibition of guaijaverin. The mechanism of action was studied by measuring fluorescence, ultraviolet spectra, and circular dichroism. Molecular docking technology was used to explore the binding situation. In addition, in vivo oral lipid tolerance tests in rats were carried out to investigate the inhibitory effect of guaijaverin on pancreatic lipase. Guaijaverin inhibited pancreatic lipase up to 90.63%, confirming its excellent inhibitory ability. The inhibition type was noncompetitive inhibition in reversible inhibition. The multispectral experiments indicated that its quenching type was static quenching and guaijaverin changed the microenvironment and spatial conformation of pancreatic lipase. The molecular docking results showed that the minimum binding energy between the two compounds was −6.96 kcal/mol. In vivo experiments demonstrated that guaijaverin inhibits pancreatic lipase by reducing TG uptake in the body. Guaijaverin has excellent inhibitory effects on pancreatic lipase and has the potential to function as a pancreatic lipase inhibitor.

{"title":"Exploration of the Mechanism of Guaijaverin in Inhibiting Pancreatic Lipase Based on Multispectral Method, Molecular Docking, and Oral Lipid Tolerance Test in Rats","authors":"Xinyu Gao,&nbsp;Kaijie Jia,&nbsp;Hong Li,&nbsp;Shujun Liu,&nbsp;Yang Wang,&nbsp;Jinlong Tian,&nbsp;Xin Zhao,&nbsp;Pan Zhao","doi":"10.1002/bio.70029","DOIUrl":"10.1002/bio.70029","url":null,"abstract":"<div>\u0000 \u0000 <p>This study aims to investigate the action mechanism of guaijaverin on pancreatic lipase from multiple perspectives and provide a theoretical basis for the search for new pancreatic lipase inhibitors. The inhibition of pancreatic lipase by guaijaverin was investigated through enzyme inhibition activity experiments, and the IC<sub>50</sub> was calculated to determine the type of inhibition of guaijaverin. The mechanism of action was studied by measuring fluorescence, ultraviolet spectra, and circular dichroism. Molecular docking technology was used to explore the binding situation. In addition, in vivo oral lipid tolerance tests in rats were carried out to investigate the inhibitory effect of guaijaverin on pancreatic lipase. Guaijaverin inhibited pancreatic lipase up to 90.63%, confirming its excellent inhibitory ability. The inhibition type was noncompetitive inhibition in reversible inhibition. The multispectral experiments indicated that its quenching type was static quenching and guaijaverin changed the microenvironment and spatial conformation of pancreatic lipase. The molecular docking results showed that the minimum binding energy between the two compounds was −6.96 kcal/mol. In vivo experiments demonstrated that guaijaverin inhibits pancreatic lipase by reducing TG uptake in the body. Guaijaverin has excellent inhibitory effects on pancreatic lipase and has the potential to function as a pancreatic lipase inhibitor.</p>\u0000 </div>","PeriodicalId":49902,"journal":{"name":"Luminescence","volume":"39 12","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-12-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142781701","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}
引用次数: 0
Polyethylene Glycol-Based Refolding Kinetic Modulation of CRABP I Protein
IF 3.2 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2024-12-02 DOI: 10.1002/bio.4924
Suchismita Subadini, Krishnendu Bera, Devi Prasanna Behera, Jozef Hritz, Harekrushna Sahoo

Crowding environment has a significant impact on the folding and stability of protein in biological systems. In this work, we have used four different sizes of a molecular crowder, polyethylene glycol (PEG), to analyze the unfolding and refolding kinetics of an iLBP protein, CRABP I, using urea as chemical denaturant. In general, the stability of the native state of the protein is boosted by the presence of crowding agents in the solution. However, our findings show that not only the type of crowder but also the crowder size played a key role in the effects of excluded volume. In case of lower molecular weight of PEG (M.W. 400), even at 200 g/L concentration, only the viscosity effect is observed, whereas for higher molecular weight of PEG (M.W. 1000), both the viscosity effect and excluded volume effect are noticed, and even at a higher concentration (200 g/L) of PEG 1000, the excluded volume predominates over the viscosity effect. Using the transition state theory, we were also able to determine the free energies of activation for the unfolding and refolding studies from their respective rate constants. Additionally, MD simulation studies provide strong support for our experimental observation. Analysis of secondary structure propensity (SSP) reveals a marked decline in the presence of structural elements (β-sheet, β-bridge, turn, and α-helix) from 81% to 43% over the 1 μs time scale unfolding MD simulation under 8 M urea conditions. Conversely, in a 200 ns refolding simulation, the rate of refolding notably increases at a concentration of 200 g/L PEG 1000.

{"title":"Polyethylene Glycol-Based Refolding Kinetic Modulation of CRABP I Protein","authors":"Suchismita Subadini,&nbsp;Krishnendu Bera,&nbsp;Devi Prasanna Behera,&nbsp;Jozef Hritz,&nbsp;Harekrushna Sahoo","doi":"10.1002/bio.4924","DOIUrl":"https://doi.org/10.1002/bio.4924","url":null,"abstract":"<div>\u0000 \u0000 <p>Crowding environment has a significant impact on the folding and stability of protein in biological systems. In this work, we have used four different sizes of a molecular crowder, polyethylene glycol (PEG), to analyze the unfolding and refolding kinetics of an iLBP protein, CRABP I, using urea as chemical denaturant. In general, the stability of the native state of the protein is boosted by the presence of crowding agents in the solution. However, our findings show that not only the type of crowder but also the crowder size played a key role in the effects of excluded volume. In case of lower molecular weight of PEG (M.W. 400), even at 200 g/L concentration, only the viscosity effect is observed, whereas for higher molecular weight of PEG (M.W. 1000), both the viscosity effect and excluded volume effect are noticed, and even at a higher concentration (200 g/L) of PEG 1000, the excluded volume predominates over the viscosity effect. Using the transition state theory, we were also able to determine the free energies of activation for the unfolding and refolding studies from their respective rate constants. Additionally, MD simulation studies provide strong support for our experimental observation. Analysis of secondary structure propensity (SSP) reveals a marked decline in the presence of structural elements (<i>β</i>-sheet, <i>β</i>-bridge, turn, and <i>α</i>-helix) from 81% to 43% over the 1 μs time scale unfolding MD simulation under 8 M urea conditions. Conversely, in a 200 ns refolding simulation, the rate of refolding notably increases at a concentration of 200 g/L PEG 1000.</p>\u0000 </div>","PeriodicalId":49902,"journal":{"name":"Luminescence","volume":"39 12","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142762530","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}
引用次数: 0
Studies of the Novel Bioactive Acridine-1,3-thiazolidin-4-one Derivatives With Human Serum Albumin Using Fluorescence Spectroscopy and Molecular Modelling
IF 3.2 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2024-12-02 DOI: 10.1002/bio.70041
Eva Konkoľová, Martina Miháliková, Katarzyna E. Nowak, Adrián Gucký, Mária Vilková, Mária Kožurková

In this study, we employ spectroscopic, thermodynamic and molecular docking approaches to identify the mechanism by which thiazolidinone derivatives 4a4d bind with human serum albumin. It has been suggested that the affinity of the interaction of derivatives 4a4d with HSA is within the optimal range necessary for the transportation and distribution of compounds within the organism. The binding constant values for the derivative/HSA complexes were found to be 0.03–5.87 × 105 M−1. Both ΔH0 and ΔS0 values were negative, which indicates that binding occurs mainly through van der Waals forces and hydrogen bonding. The negative values calculated for ΔG0 indicate that the binding of derivatives 4a4d with HSA is a spontaneous process. Our study also reveals that derivatives 4a4d bind to the subdomain IB (Site III) of HSA and that this binding alters the conformation and thermodynamic stability of HSA. Molecular docking simulations suggest that the main binding forces are van der Waals interactions, hydrophobic interactions and hydrogen bonds. The studied compounds showed weak DPPH-scavenging activity at all of the tested concentrations. The results suggest that compound 4b with a phenyl substituent at the nitrogen atom of the 1,3-thiazolidin-4-one moiety can be considered the most potent antioxidant in the series.

{"title":"Studies of the Novel Bioactive Acridine-1,3-thiazolidin-4-one Derivatives With Human Serum Albumin Using Fluorescence Spectroscopy and Molecular Modelling","authors":"Eva Konkoľová,&nbsp;Martina Miháliková,&nbsp;Katarzyna E. Nowak,&nbsp;Adrián Gucký,&nbsp;Mária Vilková,&nbsp;Mária Kožurková","doi":"10.1002/bio.70041","DOIUrl":"https://doi.org/10.1002/bio.70041","url":null,"abstract":"<div>\u0000 \u0000 <p>In this study, we employ spectroscopic, thermodynamic and molecular docking approaches to identify the mechanism by which thiazolidinone derivatives <b>4a</b>–<b>4d</b> bind with human serum albumin. It has been suggested that the affinity of the interaction of derivatives <b>4a</b>–<b>4d</b> with HSA is within the optimal range necessary for the transportation and distribution of compounds within the organism. The binding constant values for the derivative/HSA complexes were found to be 0.03–5.87 × 10<sup>5</sup> M<sup>−1</sup>. Both Δ<i>H</i><sup>0</sup> and Δ<i>S</i><sup>0</sup> values were negative, which indicates that binding occurs mainly through van der Waals forces and hydrogen bonding. The negative values calculated for Δ<i>G</i><sup>0</sup> indicate that the binding of derivatives <b>4a</b>–<b>4d</b> with HSA is a spontaneous process. Our study also reveals that derivatives <b>4a</b>–<b>4d</b> bind to the subdomain IB (Site III) of HSA and that this binding alters the conformation and thermodynamic stability of HSA. Molecular docking simulations suggest that the main binding forces are van der Waals interactions, hydrophobic interactions and hydrogen bonds. The studied compounds showed weak DPPH-scavenging activity at all of the tested concentrations. The results suggest that compound <b>4b</b> with a phenyl substituent at the nitrogen atom of the 1,3-thiazolidin-4-one moiety can be considered the most potent antioxidant in the series.</p>\u0000 </div>","PeriodicalId":49902,"journal":{"name":"Luminescence","volume":"39 12","pages":""},"PeriodicalIF":3.2,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142762437","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}
引用次数: 0
Impact of Shock Compression on the Photovoltaic Performance of NiCo2O4 Nanoparticles
IF 3.2 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2024-12-02 DOI: 10.1002/bio.70043
J. Bosco Franklin, P. Saravanan, S. Suruthi, F. Irine Maria Bincy, S. John Sundaram, S. A. Martin Britto Dhas, Mohammad Ahmad Wadaan, Jothi Vinoth Kumar, R. Mythili

Spherical-shaped nickel cobaltite (NC) nanoparticles were synthesized via a simple sol–gel technique and calcined at 600°C. X-ray diffraction (XRD) analysis revealed significant changes in crystallite size, with an average of 23 nm for the control sample and variations observed after 50 shockwaves. Fourier transform infrared spectroscopy (FTIR) confirmed metal-oxygen stretching, indicating structural integrity. UV–visible absorption studies showed changes in the optical band gap, which increased after shock treatments, suggesting bandgap tunability for optoelectronic and photovoltaic applications. The material exhibited good optical absorption up to 600 nm, making it suitable for light-harvesting devices. Vibrating sample magnetometry (VSM) detected shifts in dipole moments and magnetic saturation, with all samples displaying paramagnetic behavior. The shock-treated samples showed enhanced magnetic properties, which could be useful in magnetic storage devices. The combined tunability of bandgap and magnetic properties via shock wave treatment underscores the potential of these nanoparticles for applications in photovoltaics, spintronics, and energy storage systems.

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引用次数: 0
Designing a Simple Quinoline-Based Chromo-Fluorogenic Receptor for Highly Specific Quantification of Copper (II) Ions: Environmental and Bioimaging Applications.
IF 3.2 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2024-12-01 DOI: 10.1002/bio.70068
Murugavel Durgaparameshwari, Karuppaiyan Kaviya, D S Prabakaran, Madhappan Santhamoorthy, Ramar Rajamanikandan, Mysoon M Al-Ansari, Kailasam Saravana Mani

Many industries use copper metal ions (Cu2+ ions), and their salts are utilized as supplemental materials in both agriculture and medicine. Identifying and monitoring these Cu2+ ions in biological and environmental specimens is crucial due to their association with several health issues. In this investigation, we have designed a simple quinoline-based receptor (E)-3-(((2,4-di-tert-butyl-5-hydroxyphenyl)imino)methyl)-6-methoxyquinolin-2(1H)-one (QAP) containing imine functional groups to inspect its capability to identify metal ions in a semi-aqueous medium. The photophysical characteristics and structural confirmation of the receptor QAP were investigated using various spectroscopic techniques. Among various metal ions, the receptor QAP displayed an intense color shift from slightly yellow to strong yellow in the existence of Cu2+ ions, as visualized by the nude eye. Furthermore, the fluorescence spectral maximum wavelength at 485 nm and the strong cyan fluorescence color were quenched upon introducing Cu2+ ions. The alteration in the spectral and colorimetric features of QAP with Cu2+ ions is due to coordination complex formation. The present sensor shows the linear range from 3 to 69 μM, subsequent in a computed limit of detection as 3.16 nM, which is much lower than that of the maximum threshold of Cu2+ ions in drinking water set by WHO. Therefore, the receptor can respond to Cu2+ ions sensing in two ways: by changing color and by quenching fluorescence. The binding mode of the Cu2+ ions to the functional groups of the receptor QAP is a 1:1 stoichiometry, according to ESI-mass, Job's plot analysis, and density functional theory (DFT) computations. The practical utility of the fluorescent receptor QAP was applied for Cu2+ ions determination in environmental samples (drinking, tap, and dam water) and cancer cells (HeLa cells).

{"title":"Designing a Simple Quinoline-Based Chromo-Fluorogenic Receptor for Highly Specific Quantification of Copper (II) Ions: Environmental and Bioimaging Applications.","authors":"Murugavel Durgaparameshwari, Karuppaiyan Kaviya, D S Prabakaran, Madhappan Santhamoorthy, Ramar Rajamanikandan, Mysoon M Al-Ansari, Kailasam Saravana Mani","doi":"10.1002/bio.70068","DOIUrl":"https://doi.org/10.1002/bio.70068","url":null,"abstract":"<p><p>Many industries use copper metal ions (Cu<sup>2+</sup> ions), and their salts are utilized as supplemental materials in both agriculture and medicine. Identifying and monitoring these Cu<sup>2+</sup> ions in biological and environmental specimens is crucial due to their association with several health issues. In this investigation, we have designed a simple quinoline-based receptor (E)-3-(((2,4-di-tert-butyl-5-hydroxyphenyl)imino)methyl)-6-methoxyquinolin-2(1H)-one (QAP) containing imine functional groups to inspect its capability to identify metal ions in a semi-aqueous medium. The photophysical characteristics and structural confirmation of the receptor QAP were investigated using various spectroscopic techniques. Among various metal ions, the receptor QAP displayed an intense color shift from slightly yellow to strong yellow in the existence of Cu<sup>2+</sup> ions, as visualized by the nude eye. Furthermore, the fluorescence spectral maximum wavelength at 485 nm and the strong cyan fluorescence color were quenched upon introducing Cu<sup>2+</sup> ions. The alteration in the spectral and colorimetric features of QAP with Cu<sup>2+</sup> ions is due to coordination complex formation. The present sensor shows the linear range from 3 to 69 μM, subsequent in a computed limit of detection as 3.16 nM, which is much lower than that of the maximum threshold of Cu<sup>2+</sup> ions in drinking water set by WHO. Therefore, the receptor can respond to Cu<sup>2+</sup> ions sensing in two ways: by changing color and by quenching fluorescence. The binding mode of the Cu<sup>2+</sup> ions to the functional groups of the receptor QAP is a 1:1 stoichiometry, according to ESI-mass, Job's plot analysis, and density functional theory (DFT) computations. The practical utility of the fluorescent receptor QAP was applied for Cu<sup>2+</sup> ions determination in environmental samples (drinking, tap, and dam water) and cancer cells (HeLa cells).</p>","PeriodicalId":49902,"journal":{"name":"Luminescence","volume":"39 12","pages":"e70068"},"PeriodicalIF":3.2,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142878397","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}
引用次数: 0
Cataluminescence Sensor Based on Halloysite Nanotubes/MgO Nanocomposite for Rapid Detection of Ether.
IF 3.2 4区 化学 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2024-12-01 DOI: 10.1002/bio.70069
Yilu Liu, Zhaoxia Shi, Yintang Zhang, Zhaohui Li, Maotian Xu

MgO surface makes it easy to introduce a certain amount of oxygen vacancy and can enhance catalytic reaction activity. Besides, as a silicoaluminate mineral material, halloysite nanotube (HNT) has a unique tubular structure. In this paper, the HNTs@MgO composite was successfully synthesized based on natural clay material HNTs as a carrier, and the CTL sensor based on HNTs@MgO was successfully developed for the rapid determination of ether in air. The HNTs@MgO material was characterized by a series of means such as SEM, XPS, and XRD, which clearly confirmed that MgO successfully combined with HNTs. And the sensor showed good sensitivity and selectivity, with a good linear relationship between CTL intensity and ether concentration in the range of 0.5-190.0 mg/L (R2 = 0.9942), and the limit of detection (LOD) was 0.18 mg/L (S/N = 3). The RSD values of the results of 11 consecutive measurements by the same sensor and 7 days of consecutive measurements were 1.96% (n = 11) and 3.42% (n = 7), showing good repeatability and reproducibility. At last, the CTL sensor was used to detect air samples, the recoveries ranged from 91.6% to 109.6%. Thus, it was concluded that HNTs@MgO composite is a cost-effective and promising material with potential application in atmospheric detection.

{"title":"Cataluminescence Sensor Based on Halloysite Nanotubes/MgO Nanocomposite for Rapid Detection of Ether.","authors":"Yilu Liu, Zhaoxia Shi, Yintang Zhang, Zhaohui Li, Maotian Xu","doi":"10.1002/bio.70069","DOIUrl":"https://doi.org/10.1002/bio.70069","url":null,"abstract":"<p><p>MgO surface makes it easy to introduce a certain amount of oxygen vacancy and can enhance catalytic reaction activity. Besides, as a silicoaluminate mineral material, halloysite nanotube (HNT) has a unique tubular structure. In this paper, the HNTs@MgO composite was successfully synthesized based on natural clay material HNTs as a carrier, and the CTL sensor based on HNTs@MgO was successfully developed for the rapid determination of ether in air. The HNTs@MgO material was characterized by a series of means such as SEM, XPS, and XRD, which clearly confirmed that MgO successfully combined with HNTs. And the sensor showed good sensitivity and selectivity, with a good linear relationship between CTL intensity and ether concentration in the range of 0.5-190.0 mg/L (R<sup>2</sup> = 0.9942), and the limit of detection (LOD) was 0.18 mg/L (S/N = 3). The RSD values of the results of 11 consecutive measurements by the same sensor and 7 days of consecutive measurements were 1.96% (n = 11) and 3.42% (n = 7), showing good repeatability and reproducibility. At last, the CTL sensor was used to detect air samples, the recoveries ranged from 91.6% to 109.6%. Thus, it was concluded that HNTs@MgO composite is a cost-effective and promising material with potential application in atmospheric detection.</p>","PeriodicalId":49902,"journal":{"name":"Luminescence","volume":"39 12","pages":"e70069"},"PeriodicalIF":3.2,"publicationDate":"2024-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142899978","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}
引用次数: 0
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