Exploring QSTR analysis of the toxicity of phenols and thiophenols using machine learning methods

Asadollahi-Baboli, M.

doi:10.1016/j.etap.2012.09.003

Cited by 22 publications

(13 citation statements)

References 10 publications

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“…48 However, its utility as a fluorescent probe has still to be investigated. The IR spectrum of E1 showed the main characteristic absorption peaks of the functional groups, including the broad stretching vibration absorption peaks of F I G U R E 4 Fluorescence emission spectra of probe E1 after the addition of the equivalent of one Hg(ii) ion under (A) an acidic condition of different pH values (1, 2, 3, 4, 5 or 6) or (B) an alkaline condition of different pH values (8,9,10,11,12,13 The chemical shift of 6-H was 6.89 ppm and the peak was split to a doublet by the neighbouring 5-H with a coupling constant of 8.0 Hz. This demonstrated that the allyl group was in the 8-position.…”

Section: Resultsmentioning

confidence: 99%

“…Thus the conclusion was reached that the E1 probe is useful for fluorogenic detection of Hg(ii) over a relatively wide pH range of pH 4-11. Changes in the fluorescence emission spectra of the E1 probe (20 µmol/L) upon addition of different amounts of Hg(ii) (0, 1,2,4,8,12,16,20,40 and 60 µmol/L) were measured ( Figure 5). It was found that with increasing amounts of Hg(ii) added to E1 that the intensity of the fluorescence emission band at 466 nm decreased gradually, and that the intensity of the emission peak at 395 nm increased.…”

Section: Resultsmentioning

confidence: 99%

“…However, thiophenols are a highly toxic and pollutant species. 8,9 Therefore, a vast number of fluorescent probes for the detection of thiophenols have been developed. [10][11][12][13][14][15][16] On the other hand, pollution by mercury ions (Hg(ii)) triggers severe environmental and human health problems.…”

Section: Introductionmentioning

confidence: 99%

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A fluorescent probe for the dual detection of mercury ions and thiols based on a simple coumarin derivative

Pei

Chen

Xu³

et al. 2019

Coloration Technology

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Coloration Technology. 2020;136:75-86. wileyonlinelibrary.com/journal/cote | 75 Abstract A fluorescent probe based on a simple coumarin derivative could recognise mercury ions (Hg(ii)) and thiols selectively in aqueous solution. The addition of Hg(ii) induced a blue shift of the fluorescence emission band of the probe while the fluorescence was almost quenched by the addition of p-toluenethiol or cysteine (Cys). The detection limit of the probe towards Hg(ii) and Cys was 8 µmol/L. The probe could be used for the detection of Hg(ii) and thiols by the naked eye under ultraviolet light irradiation.

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Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

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A fluorescent probe for the dual detection of mercury ions and thiols based on a simple coumarin derivative

Pei

Chen

Xu³

et al. 2019

Coloration Technology

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“…Thiophenols (PhSHs) are considered to be the simplest aromatic thiols and frequently used in the proposed production of pharmaceuticals, pesticides, polymers, and various industrial products. In spite of their diverse synthetic utilities and practical values, thiophenols are considered to be one of the prioritized pollutants due to their toxic effects on aquatic organisms, and liver, kidney and central nervous systems in humans . It is important, therefore, to develop sensitive and selective methods to monitor thiophenols, particularly for chemical, biological, and environmental sciences.…”

Section: Indole‐based Bodpy Systems For Sensingmentioning

confidence: 99%

“…In spite of their diverse synthetic utilities and practical values, thiophenols are considered to be one of the prioritized pollutants due to their toxic effects on aquatic organisms, and liver, kidney and central nervous systems in humans. [80] It is important, therefore, to develop sensitive and selective methods to monitor thiophenols, particularly for chemical, biological, and environmental sciences. In this context, Shao et al [81] developed an indole molecule incorporating a BODIPY-and 2,4dinitrobenzenesulfony (DNBS) turn-on system that specifically yielded a fluorescence signal as a response to thiophenols.…”

Section: Thiophenol Sensingmentioning

confidence: 99%

Recent chemo‐/biosensor and bioimaging studies based on indole‐decorated BODIPYs

2019

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BODIPY is an important fluorophores due to its enhanced photophysical and chemical properties including outstanding thermal/photochemical stability, intense absorption/emission profiles, high photoluminescence quantum yield, and small Stokes' shifts. In addition to BODIPY, indole and its derivatives have recently gained attention because of their structural properties and particularly biological importance, therefore these molecules have been widely used in sensing and biosensing applications. Here, we focus on recent studies that reported the incorporation of indole‐based BODIPY molecules as reporter molecules in sensing systems. We highlight the rationale for developing such systems and evaluate detection limits of the developed sensing platforms. Furthermore, we also review the application of indole‐based BODIPY molecules in bioimaging studies. This article includes the evaluation of indole‐based BODIPYs from synthesis to characterization and a comparison of the advantages and disadvantages of developed reporter systems, making it instructive for researchers in various disciplines for the design and development of similar systems.

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Evaluation of the Ecotoxicity of Pollutants with Bioluminescent Microorganisms

Fernández-Piñas

Rodea-Palomares

Leganés

et al. 2014

Advances in Biochemical Engineering/Biotechnology

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This chapter deals with the use of bioluminescent microorganisms in environmental monitoring, particularly in the assessment of the ecotoxicity of pollutants. Toxicity bioassays based on bioluminescent microorganisms are an interesting complement to classical toxicity assays, providing easiness of use, rapid response, mass production, and cost effectiveness. A description of the characteristics and main environmental applications in ecotoxicity testing of naturally bioluminescent microorganisms, covering bacteria and eukaryotes such as fungi and dinoglagellates, is reported in this chapter. The main features and applications of a wide variety of recombinant bioluminescent microorganisms, both prokaryotic and eukaryotic, are also summarized and critically considered. Quantitative structure-activity relationship models and hormesis are two important concepts in ecotoxicology; bioluminescent microorganisms have played a pivotal role in their development. As pollutants usually occur in complex mixtures in the environment, the use of both natural and recombinant bioluminescent microorganisms to assess mixture toxicity has been discussed. The main information has been summarized in tables, allowing quick consultation of the variety of luminescent organisms, bioluminescence gene systems, commercially available bioluminescent tests, environmental applications, and relevant references.

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Exploring QSTR analysis of the toxicity of phenols and thiophenols using machine learning methods

Cited by 22 publications

References 10 publications

A fluorescent probe for the dual detection of mercury ions and thiols based on a simple coumarin derivative

A fluorescent probe for the dual detection of mercury ions and thiols based on a simple coumarin derivative

Recent chemo‐/biosensor and bioimaging studies based on indole‐decorated BODIPYs

Evaluation of the Ecotoxicity of Pollutants with Bioluminescent Microorganisms

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