Photochem最新文献

筛选
英文 中文
Photodynamic Activity of Acridine Orange in Keratinocytes under Blue Light Irradiation 蓝光照射下吖啶橙在角质形成细胞中的光动力学活性
Photochem Pub Date : 2023-04-23 DOI: 10.3390/photochem3020014
Bárbara Fornaciari, Marina S. Juvenal, W. Martins, Helena C. Junqueira, M. S. Baptista
{"title":"Photodynamic Activity of Acridine Orange in Keratinocytes under Blue Light Irradiation","authors":"Bárbara Fornaciari, Marina S. Juvenal, W. Martins, Helena C. Junqueira, M. S. Baptista","doi":"10.3390/photochem3020014","DOIUrl":"https://doi.org/10.3390/photochem3020014","url":null,"abstract":"Acridine orange (AO) is a metachromatic fluorescent dye that stains various cellular compartments, specifically accumulating in acidic vacuoles (AVOs). AO is frequently used for cell and tissue staining (in vivo and in vitro), mainly because it marks different cellular compartments with different colors. However, AO also forms triplet excited states and its role as a photosensitizer is not yet completely understood. Human immortalized keratinocytes (HaCaT) were incubated for either 10 or 60 min with various concentrations (nanomolar range) of AO that were significantly lower than those typically used in staining protocols (micromolar). After incubation, the cells were irradiated with a 490 nm LED. As expected, cell viability (measured by MTT, NRU and crystal violet staining) decreased with the increase in AO concentration. Interestingly, at the same AO concentration, altering the incubation time with HaCaT substantially decreased the 50% lethal dose (LD50) from 300 to 150 nM. The photoinduced cell death correlated primarily with lysosomal disfunction, and the correlation was stronger for the 60 min AO incubation results. Furthermore, the longer incubation time favored monomers of AO and a distribution of the dye to intracellular sites other than lysosomes. Studies with mimetic systems indicated that monomers, which have higher yields of fluorescence emission and singlet oxygen generation, are favored in acidic environments, consistent with the more intense emission from cells submitted to the longer AO incubation period. Our results indicate that AO is an efficient PDT photosensitizer, with a photodynamic efficiency that is enhanced in acidic environments when multiple intracellular locations are targeted. Consequently, when using AO as a probe for live cell tracking and tissue staining, care must be taken to avoid excessive exposure to light to avoid undesirable photosensitized oxidation reactions in the tissue or cell under investigation.","PeriodicalId":74440,"journal":{"name":"Photochem","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-04-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45438644","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Conformational-Dependent Photodissociation of Glycolic Acid in an Argon Matrix 乙醇酸在氩基质中的构象依赖性光解
Photochem Pub Date : 2023-03-31 DOI: 10.3390/photochem3020013
J. Ahokas, Timur Nikitin, J. Krupa, Iwona Kosendiak, R. Fausto, M. Wierzejewska, J. Lundell
{"title":"Conformational-Dependent Photodissociation of Glycolic Acid in an Argon Matrix","authors":"J. Ahokas, Timur Nikitin, J. Krupa, Iwona Kosendiak, R. Fausto, M. Wierzejewska, J. Lundell","doi":"10.3390/photochem3020013","DOIUrl":"https://doi.org/10.3390/photochem3020013","url":null,"abstract":"Ultraviolet-induced photodissociation and photo-isomerization of the three most stable conformers (SSC, GAC, and AAT) of glycolic acid are investigated in a low-temperature solid argon matrix using FTIR spectroscopy and employing laser radiation with wavelengths of 212 nm, 226 nm, and 230 nm. The present work broadens the wavelength range of photochemical studies of glycolic acid, thus extending the understanding of the overall photochemistry of the compound. The proposed kinetic model for the photodissociation of glycolic acid proceeds from the lowest energy conformer (SSC). The model suggests that ultraviolet light induces isomerization only between the SSC and GAC conformers and between the SSC and AAT conformers. The relative reaction rate coefficients are reported for all proposed reactions. These results suggest that the direct photodissociation of GAC and AAT conformer does not occur in an argon matrix. The main photodissociation channel via the SSC conformer produces formaldehyde–water complexes. The proposed photodissociation mechanism emphasizes that the conformers’ relative abundancies can significantly affect the photodissociation rate of the molecule. For example, in the case of high relative GAC and AAT concentrations, the ultraviolet photodissociation of glycolic acid requires the proceeding photo-isomerization of GAC and AAT to SSC.","PeriodicalId":74440,"journal":{"name":"Photochem","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-03-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48292013","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Facile Synthesis, Characterization, and Photocatalytic Performance of BiOF/BiFeO3 Hybrid Heterojunction for Benzylamine Coupling under Simulated Light Irradiation 模拟光照射下BiOF/BiFeO3杂化异质结苯胺偶联的合成、表征及光催化性能
Photochem Pub Date : 2023-03-21 DOI: 10.3390/photochem3010012
Abdalla S. Abdelhamid, Reem H. Alzard, Lamia A. Siddig, Aya Elbahnasy, Duha Aljazmati, Zaina Kadoura, Hind Zeidane, Rufaida Elshikh, Ahmed Alzamly
{"title":"Facile Synthesis, Characterization, and Photocatalytic Performance of BiOF/BiFeO3 Hybrid Heterojunction for Benzylamine Coupling under Simulated Light Irradiation","authors":"Abdalla S. Abdelhamid, Reem H. Alzard, Lamia A. Siddig, Aya Elbahnasy, Duha Aljazmati, Zaina Kadoura, Hind Zeidane, Rufaida Elshikh, Ahmed Alzamly","doi":"10.3390/photochem3010012","DOIUrl":"https://doi.org/10.3390/photochem3010012","url":null,"abstract":"Under simulated light irradiation, the aerobic oxidation of benzylamine to N,N-benzylidenebenzylamine was carried out as a model reaction to investigate the photocatalytic activity of a hydrothermally prepared composite based on BiOF and BiFeO3 materials. The prepared photocatalysts were characterized using several spectroscopic techniques, such as powder X-ray diffraction (PXRD), diffuse reflectance spectroscopy (DRS), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), and Fourier transform infrared spectroscopy (FTIR). Band gap analysis showed that the composite exhibits a band gap that lies in the UV region (3.5 eV). Nonetheless, pristine BiOF and BiFeO3 exhibited band gaps of 3.8 eV and 2.15 eV, respectively. N,N-benzylidenebenzylamine was selectively achieved with a high conversion yield of ~80% under atmospheric conditions in which the product was confirmed using 1H-NMR, 13C-NMR, and FTIR spectroscopic techniques. Various control experiments were conducted to further confirm the enhanced photocatalytic performance of the reported composite.","PeriodicalId":74440,"journal":{"name":"Photochem","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-03-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45318874","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Water-Soluble Dicationic Deuteroporphyrin Derivative for Antimicrobial PDT: Singlet Oxygen Generation, Passive Carrier Interaction and Nosocomial Bacterial Strains Photoinactivation 用于抗菌PDT的水溶性指示去卟啉衍生物:单线态氧生成、被动载流子相互作用和院内菌株光失活
Photochem Pub Date : 2023-03-11 DOI: 10.3390/photochem3010011
D. Berezin, S. O. Kruchin, N. V. Kukushkina, E. A. Venediktov, M. O. Koifman, A. Kustov
{"title":"Water-Soluble Dicationic Deuteroporphyrin Derivative for Antimicrobial PDT: Singlet Oxygen Generation, Passive Carrier Interaction and Nosocomial Bacterial Strains Photoinactivation","authors":"D. Berezin, S. O. Kruchin, N. V. Kukushkina, E. A. Venediktov, M. O. Koifman, A. Kustov","doi":"10.3390/photochem3010011","DOIUrl":"https://doi.org/10.3390/photochem3010011","url":null,"abstract":"Multidrug resistance of pathogenic microflora is a serious threat to the modern community looking for new approaches to treating superinfections. In this sense, antimicrobial photodynamic therapy (aPDT) is an effective and safe technique considered to be a promising alternative or an important supplement to the traditional clinically applied methods for inactivating antibiotic resistant pathogens. Macroheterocyclic photosensitizers (PS) of three generations are proposed for clinical practice. They are known as the key compounds for PDT able to be localized selectively in microbial cells and to be activated with the red light producing toxic reactive oxygen species (ROS). However, these neutral and anionic PSs possess low affinity towards the outer lipopolysaccharide membrane of Gram-negative bacteria and, consequently, poor ability to kill these pathogens under irradiation. In contrast, cationic PSs containing one or more charged groups, especially those bound to an appropriate carrier, provide efficient inactivation of microorganisms. In this paper, we focus on the study of photophysics, aggregation and photoinduced antimicrobial activity of the water-soluble derivative of deuteroporphyrin-IX, a blood group porphyrin, bearing two cationic trialkylammonium fragments. This potential photosensitizing agent is found to generate singlet oxygen in a non-polar environment and forms stable nano-sized molecular complexes with passive non-ionic carrier Tween 80, localizing in an aqueous surfactant solution as a non-aggregated form in the surface micellar layer. Two different modes of PS/Tween 80 binding characterized by their own stability constants and interaction stoichiometry are observed. Microbiological experiments clearly demonstrate that the increased permeability of the outer bacterial membrane caused by the application of the intramicellar form of the photosensitizer or addition of some potentiation agents leads to pronounced light phototoxicity of the pigment against antibiotic-resistant nosocomial strains of Gram-negative bacterial pathogens.","PeriodicalId":74440,"journal":{"name":"Photochem","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45860047","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 3
Insights into the Machine Learning Predictions of the Optical Response of Plasmon@Semiconductor Core-Shell Nanocylinders 对Plasmon@Semiconductor核壳纳米柱光学响应的机器学习预测的见解
Photochem Pub Date : 2023-03-02 DOI: 10.3390/photochem3010010
Ehsan Vahidzadeh, K. Shankar
{"title":"Insights into the Machine Learning Predictions of the Optical Response of Plasmon@Semiconductor Core-Shell Nanocylinders","authors":"Ehsan Vahidzadeh, K. Shankar","doi":"10.3390/photochem3010010","DOIUrl":"https://doi.org/10.3390/photochem3010010","url":null,"abstract":"The application domain of deep learning (DL) has been extended into the realm of nanomaterials, photochemistry, and optoelectronics research. Here, we used the combination of a computer vision technique, namely convolutional neural network (CNN), with multilayer perceptron (MLP) to obtain the far-field optical response at normal incidence (along cylinder axis) of concentric cylindrical plasmonic metastructures such as nanorods and nanotubes. Nanotubes of Si, Ge, and TiO2 coated on either their inner wall or both their inner and outer walls with a plasmonic noble metal (Au or Ag) were thus modeled. A combination of a CNN and MLP was designed to accept the cross-sectional images of cylindrical plasmonic core-shell nanomaterials as input and rapidly generate their optical response. In addition, we addressed an issue related to DL methods, namely explainability. We probed deeper into these networks’ architecture to explain how the optimized network could predict the final results. Our results suggest that the DL network learns the underlying physics governing the optical response of plasmonic core-shell nanocylinders, which in turn builds trust in the use of DL methods in materials science and optoelectronics.","PeriodicalId":74440,"journal":{"name":"Photochem","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-03-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49077152","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Linear and Nonlinear Optical Properties of Quadrupolar Bithiophenes and Cyclopentadithiophenes as Fluorescent Oxygen Photosensitizers 荧光氧光敏剂二噻吩和环五噻吩的线性和非线性光学性质
Photochem Pub Date : 2023-02-20 DOI: 10.3390/photochem3010009
N. Richy, Safa Gam, S. Messaoudi, Amédée Triadon, O. Mongin, M. Blanchard‐Desce, C. Latouche, M. Humphrey, A. Boucekkine, J. Halet, F. Paul
{"title":"Linear and Nonlinear Optical Properties of Quadrupolar Bithiophenes and Cyclopentadithiophenes as Fluorescent Oxygen Photosensitizers","authors":"N. Richy, Safa Gam, S. Messaoudi, Amédée Triadon, O. Mongin, M. Blanchard‐Desce, C. Latouche, M. Humphrey, A. Boucekkine, J. Halet, F. Paul","doi":"10.3390/photochem3010009","DOIUrl":"https://doi.org/10.3390/photochem3010009","url":null,"abstract":"The linear and nonlinear optical properties of two quadrupolar bithiophenes and two quadrupolar cyclopentadithiophenes have been investigated. At the 5,5′ positions of the central bi/dithiophene units, the molecules possess 1,4-phenylalkynyl groups that bear either electron-donating (NPh2) or electron-withdrawing (SO2CF3) groups. The optical properties were experimentally studied and modelled via quantum chemistry computations of key configurations and conformations. All the compounds show good light harvesting efficiency due to their strong absorption in the visible range. These fluorescent compounds are also good two-photon absorbers in the NIR range that can photosensitize oxygen in toluene. DFT calculations reveal that the mixtures of conformers in a solution show similar linear optical properties. TD-DFT calculations reproduce the experimental spectroscopic data fairly well, including vibronic couplings in the fluorescence spectra. The lowest excited state for two-photon absorption corresponds to the S2 state. The roles of the SO2CF3 and NPh2 terminal groups on the nonlinear response were analyzed for possible bio-oriented applications, with the cyclopentadithiophenes showing the most promising figures of merit.","PeriodicalId":74440,"journal":{"name":"Photochem","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42368171","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Pyridine-Based Small-Molecule Fluorescent Probes as Optical Sensors for Benzene and Gasoline Adulteration 吡啶基小分子荧光探针作为苯和汽油掺混的光学传感器
Photochem Pub Date : 2023-02-17 DOI: 10.3390/photochem3010008
Thiago J Peglow, M. M. Vieira, N. Padilha, B. Dalberto, H. S. Silva Júnior, F. Rodembusch, P. Schneider
{"title":"Pyridine-Based Small-Molecule Fluorescent Probes as Optical Sensors for Benzene and Gasoline Adulteration","authors":"Thiago J Peglow, M. M. Vieira, N. Padilha, B. Dalberto, H. S. Silva Júnior, F. Rodembusch, P. Schneider","doi":"10.3390/photochem3010008","DOIUrl":"https://doi.org/10.3390/photochem3010008","url":null,"abstract":"Here we present simple fluorophores based on the pyridine core, obtained with straightforward synthetic methodologies. These compounds present in solution absorption maxima in the UV region and fluorescence emission of between 300 and 450 nm, depending on the solvent and chemical structure of the fluorophore. The nature of the solvent was shown to play a fundamental role in their excite-state deactivation, which allowed successful exploration of these compounds as optical sensors for benzene and fuel adulteration in gasoline. In ethanolic solution, upon the addition of benzene, in general the fluorophores presented fluorescence quenching, where a linear correlation between the emission intensity and the amount of benzene (quencher) was observed. In addition, the application of an optical sensor for the detection of fuel adulteration in commercial standard and premium gasoline was successfully presented and discussed. Theoretical calculations were also applied to better understand the solvent–fluorophore interactions.","PeriodicalId":74440,"journal":{"name":"Photochem","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-02-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44288986","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
The Fate of Sulfur Radical Cation of N-Acetyl-Methionine: Deprotonation vs. Decarboxylation n -乙酰蛋氨酸硫自由基阳离子的命运:去质子化与脱羧化
Photochem Pub Date : 2023-02-05 DOI: 10.3390/photochem3010007
K. Grzyb, Vidhi Sehrawat, T. Pędziński
{"title":"The Fate of Sulfur Radical Cation of N-Acetyl-Methionine: Deprotonation vs. Decarboxylation","authors":"K. Grzyb, Vidhi Sehrawat, T. Pędziński","doi":"10.3390/photochem3010007","DOIUrl":"https://doi.org/10.3390/photochem3010007","url":null,"abstract":"In the present study, we investigated the photooxidation of the biomimetic model of C-terminal methionine, N-Acetyl-Methionine (N-Ac-Met), sensitized by a 3-Carboxybenzophenone (3CB) excited triplet in neutral and basic aqueous solutions. The short-lived transient species that formed in the reaction were identified and quantified by laser flash photolysis and the final stable products were analyzed using liquid chromatography coupled with high-resolution mass spectrometry (LC-MS) and tandem mass spectrometry (MSMS). Based on these complementary methods, it was possible to calculate the quantum yields of both competing reactions, and the deprotonation was found to be favored over decarboxylation (for neutral pH: ϕ-H = 0.23 vs. ϕ-CO2 = 0.09, for basic pH: ϕ-H = 0.23 vs. ϕ-CO2 = 0.05). Findings on such a model system, which can possibly mimic the complex protein environment, are important in understanding complicated biological systems, for example, the studied compound, N-Ac-Met, can, to some extent, mimic the methionine in the C-terminal domain of β-amyloid, which is thought to be connected with the pathogenesis of Alzheimer’s disease.","PeriodicalId":74440,"journal":{"name":"Photochem","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49267807","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Action of Photodynamic Therapy at Low Fluence in 9 L/lacZ Cells after Interaction with Chlorins 低通量光动力治疗与氯相互作用后对9l /lacZ细胞的作用
Photochem Pub Date : 2023-02-02 DOI: 10.3390/photochem3010006
Gabrielle dos Santos Vitorio, B. H. Godoi, J. G. Pinto, Isabelle Ferreira, C. P. Soares, J. Ferreira-Strixino
{"title":"Action of Photodynamic Therapy at Low Fluence in 9 L/lacZ Cells after Interaction with Chlorins","authors":"Gabrielle dos Santos Vitorio, B. H. Godoi, J. G. Pinto, Isabelle Ferreira, C. P. Soares, J. Ferreira-Strixino","doi":"10.3390/photochem3010006","DOIUrl":"https://doi.org/10.3390/photochem3010006","url":null,"abstract":"Gliosarcoma (GS) is a primary malignant neoplasm of the central nervous system, treated with an unfavorable prognosis with surgery, radiotherapy, and chemotherapy. The treatment for GS consists of surgical resection, almost always accompanied by radiotherapy and/or chemotherapy, given the invasive behavior of the tumor. Photodynamic Therapy (PDT) is studied as an alternative method that combines light, a photosensitizer (PS), and molecular oxygen. This study aimed to compare the effects of PDT using the photosensitizers Fotoenticine (FTC) and Photodithazine (PDZ) at low concentrations and fluences. For this study, 9 L/lacZ cells, concentrations of 1.55 µg mL−1, 12.5 µg mL−1, and 50 µg mL−1 of chlorins and fluences of 1, 5, and 10 J/cm2 were used. A test was also carried out with Trypan Blue in L929 cells at the mentioned concentrations at 5 J/cm2. Both chlorins were internalized in the cytoplasm, with a significant reduction in viability (>95%) in almost all groups and altered cell adhesion and morphology after PDT. HSP70 expression decreased in both PS, while HSP27 increased only in PDT with FTC, and although there was a change in cell adhesion in the 9 L/LacZ lineage it was not observed in the L929 fibroblast lineage. Both chlorins were effective, highlighting the concentration of 50 µg mL−1 at the fluence of 5 J/cm2; according to the present study, the PDZ showed better results.","PeriodicalId":74440,"journal":{"name":"Photochem","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-02-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44862092","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Spectroscopic and DFT Study of Alizarin Red S Complexes of Ga(III) in Semi-Aqueous Solution 半水溶液中茜素红S配合物Ga(III)的光谱和DFT研究
Photochem Pub Date : 2023-01-31 DOI: 10.3390/photochem3010005
Lícinia L. G. Justino, Sofia Braz, M. Ramos
{"title":"Spectroscopic and DFT Study of Alizarin Red S Complexes of Ga(III) in Semi-Aqueous Solution","authors":"Lícinia L. G. Justino, Sofia Braz, M. Ramos","doi":"10.3390/photochem3010005","DOIUrl":"https://doi.org/10.3390/photochem3010005","url":null,"abstract":"A combined spectroscopic and computational approach has been used to study in detail the complexation between Ga(III) and ARS in solution. The NMR results revealed the formation of four Ga(III)/ARS complexes, at pH 4, differing in their metal:ligand stoichiometries or configuration, and point to a coordination mode through the ligand positions C-1 and C-9. For equimolar metal:ligand solutions, a 1:1 [Ga(ARS)(H2O)4]+ complex was formed, while for 1:2 molar ratio solutions, a [Ga(ARS)2(H2O)2]− complex, in which the two ligands are magnetically equivalent, is proposed. Based on DFT calculations, it was determined that this is a centrosymmetric structure with the ligands in an anti configuration. For solutions with a 1:3 molar ratio, two isomeric [Ga(ARS)3]3− complexes were detected by NMR, in which the ligands have a mer and a fac configuration around the metal centre. The DFT calculations provided structural details on the complexes and support the proposal of a 1,9 coordination mode. The infrared spectroscopy results, together with the calculation of the infrared spectra for the theoretically proposed structures, give further support to the conclusions above. Changes in the UV/vis absorption and fluorescence spectra of the ligand upon complexation revealed that ARS is a highly sensitive fluorescent probe for the detection of Ga(III).","PeriodicalId":74440,"journal":{"name":"Photochem","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-01-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47405768","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信