Poisoning, overdose, antidotes

Haydock, Stephen

doi:10.1016/b978-0-7020-4084-9.00049-5

Cited by 3 publications

(2 citation statements)

References 12 publications

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“…In terms of the anionic component, metal-halo-based hybrids are particularly fascinating as materials with interesting optical and magnetic characteristics of materials [8][9][10][11][12][13][14]. Moreover, the significant effect of halogen bonding in anilinium derivatives makes these kind of compounds have higher nonlinear and biological activity [15]. In this present work, we synthesize the new anilinium derivative compound, 4-bromoanilinium perchlorate (4BAP), where the crystal was grown from the slow evaporation method.…”

Section: Introductionmentioning

confidence: 99%

Synthesis, Crystal Structure, Density Functional Theory (DFT) Calculations and Molecular Orbital Calculations of 4-Bromoanilinium Perchlorate Single Crystal

et al. 2021

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The non-covalent interactions have an extensive impact on the physical, chemical and biological activity of materials. A new anilinium derivative, 4-bromoanilinium perchlorate (4BAP), has been synthesized, and its structure was determined by single-crystal X-ray diffraction analysis. The quantum chemical calculation tools are implemented to explore the electronic and structural properties of 4BAP. The lattice parameters of the crystal structure are a = 5.0752 (8), b = 7.0540 (11), c = 13.5360 (2) Å, α = 91.073 (5)°, β = 90.991 (5)° and γ = 105.052 (5)°, with 2 molecules per unit cell (Z = 2). In the crystal structure of 4BAP, N-H⋯O hydrogen bond interactions dominate. Along the b-axis, the molecules strongly interact through N1-H3⋯O4 hydrogen bonds, and the hydrogen bonding links the molecules into extended chains running along the b-axis. The more delocalized electrons around the aromatic ring may influence the nonlinear activity of the materials. NBO results suggested more electron delocalization around the aromatic ring, which suggests that the title molecule could be used for nonlinear optical applications. The feasible reactivity tendency was determined from the frontier molecular orbital (FMO) analysis. The H...H interactions account for 9.8% of the surface area, and the crystal structure can accommodate a higher fraction of hydrogen atoms. The calculated values of dipole moment, polarizability and first-order hyperpolarizability are 13.5028 D, 20.504 × 10−24 esu and 2.1218 × 10−30 esu, respectively.

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Section: Introductionmentioning

confidence: 99%

Synthesis, Crystal Structure, Density Functional Theory (DFT) Calculations and Molecular Orbital Calculations of 4-Bromoanilinium Perchlorate Single Crystal

et al. 2021

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“…It is extremely toxic to humans. Symptoms of MDNP poisoning include profuse sweating, thirst, fatigue, headache, deep and rapid respiration, weight loss, nausea, shortness of breath, coma and greenish-yellow pigmentation of the conjunctivae in humans [2,3,5,6]. Agency for Toxic Substances and Disease Registry (ATSDR) has reported an intermediate oral minimal risk level (MRL) of 0.004 mg for each kg of body weight based on neurological effects in humans [5].…”

Section: Introductionmentioning

confidence: 99%

Differential Pulse Voltammetric Determination of 2‐Methyl‐4,6‐Dinitrophenol using Bismuth Bulk Electrode

et al. 2019

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This work reports the application of bismuth bulk electrode (BiBE) for the determination of 2‐methyl‐4,6‐dinitrophenol (MDNP) by differential pulse voltammetry (DPV) in Britton‐Robinson buffer of pH 12.0 as an optimal medium. BiBE was prepared by transferring molten bismuth into a glass tube under constant stream of nitrogen. The linear concentration dependences were measured from 1 to 10 μmol ⋅ L−1 and from 10 to 100 μmol ⋅ L−1 by using optimum accumulation potential of −0.7 V and optimum accumulation time 30 s. Under these conditions limit of determination and limit of quantification was 0.45 and 1.5 μmol ⋅ L−1, respectively. The developed method was successfully applied for the analysis of tap water as a model sample.

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Halogen interactions in dinuclear copper(II) 2,4-dibromophenoxyacetate – crystal structure and quantum chemical calculations

Mirosław

Mahmoudi

Ferenc

et al. 2020

Journal of Molecular Structure

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Poisoning, overdose, antidotes

Cited by 3 publications

References 12 publications

Synthesis, Crystal Structure, Density Functional Theory (DFT) Calculations and Molecular Orbital Calculations of 4-Bromoanilinium Perchlorate Single Crystal

Synthesis, Crystal Structure, Density Functional Theory (DFT) Calculations and Molecular Orbital Calculations of 4-Bromoanilinium Perchlorate Single Crystal

Differential Pulse Voltammetric Determination of 2‐Methyl‐4,6‐Dinitrophenol using Bismuth Bulk Electrode

Halogen interactions in dinuclear copper(II) 2,4-dibromophenoxyacetate – crystal structure and quantum chemical calculations

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