The Experts below are selected from a list of 177 Experts worldwide ranked by ideXlab platform

Kishin J Kripalani - One of the best experts on this subject based on the ideXlab platform.

  • percutaneous absorption of 3h tretinoin and systemic exposure to Mequinol after dermal application of 2 Mequinol 0 01 3h tretinoin solage solution in healthy volunteers
    Biopharmaceutics & Drug Disposition, 1999
    Co-Authors: Donald W Everett, Thomas J Franz, Theodore J Chando, Jane P Gale, Paul A Lehman, Edmund H Schwarzel, Prakash Parab, Celia Darienzo, Kishin J Kripalani
    Abstract:

    Solage® is a combination product composed of 2% Mequinol (4-hydroxyanisole) and 0.01% tretinoin (all-trans-retinoic acid) in an ethanolic solution, which is being studied for its safety and efficacy as a topical treatment for disorders of skin hyperpigmentation. The purpose of this study was to evaluate the extent of percutaneous absorption of [3H]tretinoin and to estimate the systemic exposure to Mequinol from this combination product when topically applied to the backs of healthy subjects. Eight subjects received bid topical applications of nonradiolabelled 2% Mequinol/0.01% tretinoin solution on a 400 cm2 area of the back for 14 days. The subjects then received a single topical application of 2% Mequinol/0.01% [3H]tretinoin solution. After 12 h, the radiolabelled dose was removed and bid treatment with nonradiolabelled 2% Mequinol/0.01% tretinoin solution was continued for 7 days. Plasma, urine and faecal samples were analysed for total radioactivity and plasma was analysed for both Mequinol and tretinoin by GC/MS procedure. Mean percutaneous absorption of [3H]tretinoin based on the cumulative recoveries of radioactivity in the urine and faeces was about 4.5% (median 2.18%). Tretinoin concentrations in plasma did not increase above endogenous levels. This was consistent with the concentrations of radioactivity in plasma, which showed an average Cmax of 91 pg-eq/mL (median 26 ng/mL). Average Cmax and AUC0–12 h values for Mequinol were 10 ng/mL and 33 ng h/mL, respectively. Based on the results of this study, systemic toxicity from topical application of tretinoin in this formulation is unlikely, because percutaneous absorption of tretinoin is minimal and because endogenous levels of tretinoin are not increased following bid dosing with this combination formulation. The safety of Mequinol in this combination formulation is supported by the low systemic exposures of the subjects in this study compared with the systemic exposures at the highest doses in the dermal toxicity studies in mice (16.6-fold) and rats (34.6-fold). Copyright © 1999 John Wiley & Sons, Ltd.

  • Percutaneous absorption of [3H]tretinoin and systemic exposure to Mequinol after dermal application of 2% Mequinol/0.01% [3H]tretinoin (Solagé®) solution in healthy volunteers
    Biopharmaceutics & Drug Disposition, 1999
    Co-Authors: Donald W Everett, Thomas J Franz, Theodore J Chando, Paul A Lehman, Edmund H Schwarzel, Prakash Parab, P. Jane Gale, Celia D’arienzo, Kishin J Kripalani
    Abstract:

    Solage® is a combination product composed of 2% Mequinol (4-hydroxyanisole) and 0.01% tretinoin (all-trans-retinoic acid) in an ethanolic solution, which is being studied for its safety and efficacy as a topical treatment for disorders of skin hyperpigmentation. The purpose of this study was to evaluate the extent of percutaneous absorption of [3H]tretinoin and to estimate the systemic exposure to Mequinol from this combination product when topically applied to the backs of healthy subjects. Eight subjects received bid topical applications of nonradiolabelled 2% Mequinol/0.01% tretinoin solution on a 400 cm2 area of the back for 14 days. The subjects then received a single topical application of 2% Mequinol/0.01% [3H]tretinoin solution. After 12 h, the radiolabelled dose was removed and bid treatment with nonradiolabelled 2% Mequinol/0.01% tretinoin solution was continued for 7 days. Plasma, urine and faecal samples were analysed for total radioactivity and plasma was analysed for both Mequinol and tretinoin by GC/MS procedure. Mean percutaneous absorption of [3H]tretinoin based on the cumulative recoveries of radioactivity in the urine and faeces was about 4.5% (median 2.18%). Tretinoin concentrations in plasma did not increase above endogenous levels. This was consistent with the concentrations of radioactivity in plasma, which showed an average Cmax of 91 pg-eq/mL (median 26 ng/mL). Average Cmax and AUC0–12 h values for Mequinol were 10 ng/mL and 33 ng h/mL, respectively. Based on the results of this study, systemic toxicity from topical application of tretinoin in this formulation is unlikely, because percutaneous absorption of tretinoin is minimal and because endogenous levels of tretinoin are not increased following bid dosing with this combination formulation. The safety of Mequinol in this combination formulation is supported by the low systemic exposures of the subjects in this study compared with the systemic exposures at the highest doses in the dermal toxicity studies in mice (16.6-fold) and rats (34.6-fold). Copyright © 1999 John Wiley & Sons, Ltd.

David J Altman - One of the best experts on this subject based on the ideXlab platform.

  • the combination of 2 4 hydroxyanisole Mequinol and 0 01 tretinoin is effective in improving the appearance of solar lentigines and related hyperpigmented lesions in two double blind multicenter clinical studies
    Journal of The American Academy of Dermatology, 2000
    Co-Authors: Alan B Fleischer, Edmund H Schwartzel, Susan I Colby, David J Altman
    Abstract:

    Abstract Background: Solar lentigines are a chronic condition of the aging population resulting from years of cumulative sun exposure. A topical treatment that is both safe and effective would be welcome and useful. Combinations of therapeutic agents are often used and allow synergy of mechanisms with tolerability. A tyrosinase inhibitor in use in Europe, 4-hydroxyanisole (Mequinol), and the retinoid tretinoin have been used singly as depigmenting agents. Objective: The efficacy and safety of the combination product of 2% 4-hydroxyanisole (4HA [Mequinol]) /0.01% tretinoin solution (tradename Solage) were evaluated in two phase III, randomized, controlled, double-blind trials. Methods: Subjects were randomized to treatment with 4HA/tretinoin solution, one of the active components (4HA or tretinoin), or vehicle. Subjects applied the test solution with a wand applicator twice daily to all solar lentigines and related hyperpigmented lesions on the face, forearms, and backs of hands for up to 24 weeks. Trial 1 had a 24-week no-treatment regression phase and trial 2 had a 4-week no-treatment regression phase. Information collected included clinical assessments of Target Lesion Pigmentation, Physician's Global Assessment of Improvement/Worsening, an Assessment of Overall Cosmetic Effect, and a Subject's Self-Assessment Questionnaire. Results: The 4HA/tretinoin combination was clinically superior to each of its active components and to the vehicle in the treatment of solar lentigines. At the end of treatment, in trial 1 and trial 2, 4HA/tretinoin was statistically superior to each of its active components and vehicle on the forearms and face ( P ≤ .03), except versus tretinoin on the face in trial 2 ( P = .2). In trial 2, a trend toward greater efficacy of 4HA/tretinoin over tretinoin on the face was demonstrated at the end of treatment ( P = .2), which was also increasingly evident at the end of the 4-week follow-up ( P = .06). Most skin-related adverse events were mild and were similar for both the 4HA/tretinoin and tretinoin treatment groups. Conclusion: For the treatment of solar lentigines and related hyperpigmented lesions, the topical combination product containing 2% 4HA/0.01% tretinoin solution is well tolerated and superior to either active component. (J Am Acad Dermatol 2000;42:459-67.)

  • The combination of 2% 4-hydroxyanisole (Mequinol) and 0.01% tretinoin is effective in improving the appearance of solar lentigines and related hyperpigmented lesions in two double-blind multicenter clinical studies
    Journal of The American Academy of Dermatology, 2000
    Co-Authors: Alan B Fleischer, Edmund H Schwartzel, Susan I Colby, David J Altman
    Abstract:

    Abstract Background: Solar lentigines are a chronic condition of the aging population resulting from years of cumulative sun exposure. A topical treatment that is both safe and effective would be welcome and useful. Combinations of therapeutic agents are often used and allow synergy of mechanisms with tolerability. A tyrosinase inhibitor in use in Europe, 4-hydroxyanisole (Mequinol), and the retinoid tretinoin have been used singly as depigmenting agents. Objective: The efficacy and safety of the combination product of 2% 4-hydroxyanisole (4HA [Mequinol]) /0.01% tretinoin solution (tradename Solage) were evaluated in two phase III, randomized, controlled, double-blind trials. Methods: Subjects were randomized to treatment with 4HA/tretinoin solution, one of the active components (4HA or tretinoin), or vehicle. Subjects applied the test solution with a wand applicator twice daily to all solar lentigines and related hyperpigmented lesions on the face, forearms, and backs of hands for up to 24 weeks. Trial 1 had a 24-week no-treatment regression phase and trial 2 had a 4-week no-treatment regression phase. Information collected included clinical assessments of Target Lesion Pigmentation, Physician's Global Assessment of Improvement/Worsening, an Assessment of Overall Cosmetic Effect, and a Subject's Self-Assessment Questionnaire. Results: The 4HA/tretinoin combination was clinically superior to each of its active components and to the vehicle in the treatment of solar lentigines. At the end of treatment, in trial 1 and trial 2, 4HA/tretinoin was statistically superior to each of its active components and vehicle on the forearms and face ( P ≤ .03), except versus tretinoin on the face in trial 2 ( P = .2). In trial 2, a trend toward greater efficacy of 4HA/tretinoin over tretinoin on the face was demonstrated at the end of treatment ( P = .2), which was also increasingly evident at the end of the 4-week follow-up ( P = .06). Most skin-related adverse events were mild and were similar for both the 4HA/tretinoin and tretinoin treatment groups. Conclusion: For the treatment of solar lentigines and related hyperpigmented lesions, the topical combination product containing 2% 4HA/0.01% tretinoin solution is well tolerated and superior to either active component. (J Am Acad Dermatol 2000;42:459-67.)

Donald W Everett - One of the best experts on this subject based on the ideXlab platform.

  • percutaneous absorption of 3h tretinoin and systemic exposure to Mequinol after dermal application of 2 Mequinol 0 01 3h tretinoin solage solution in healthy volunteers
    Biopharmaceutics & Drug Disposition, 1999
    Co-Authors: Donald W Everett, Thomas J Franz, Theodore J Chando, Jane P Gale, Paul A Lehman, Edmund H Schwarzel, Prakash Parab, Celia Darienzo, Kishin J Kripalani
    Abstract:

    Solage® is a combination product composed of 2% Mequinol (4-hydroxyanisole) and 0.01% tretinoin (all-trans-retinoic acid) in an ethanolic solution, which is being studied for its safety and efficacy as a topical treatment for disorders of skin hyperpigmentation. The purpose of this study was to evaluate the extent of percutaneous absorption of [3H]tretinoin and to estimate the systemic exposure to Mequinol from this combination product when topically applied to the backs of healthy subjects. Eight subjects received bid topical applications of nonradiolabelled 2% Mequinol/0.01% tretinoin solution on a 400 cm2 area of the back for 14 days. The subjects then received a single topical application of 2% Mequinol/0.01% [3H]tretinoin solution. After 12 h, the radiolabelled dose was removed and bid treatment with nonradiolabelled 2% Mequinol/0.01% tretinoin solution was continued for 7 days. Plasma, urine and faecal samples were analysed for total radioactivity and plasma was analysed for both Mequinol and tretinoin by GC/MS procedure. Mean percutaneous absorption of [3H]tretinoin based on the cumulative recoveries of radioactivity in the urine and faeces was about 4.5% (median 2.18%). Tretinoin concentrations in plasma did not increase above endogenous levels. This was consistent with the concentrations of radioactivity in plasma, which showed an average Cmax of 91 pg-eq/mL (median 26 ng/mL). Average Cmax and AUC0–12 h values for Mequinol were 10 ng/mL and 33 ng h/mL, respectively. Based on the results of this study, systemic toxicity from topical application of tretinoin in this formulation is unlikely, because percutaneous absorption of tretinoin is minimal and because endogenous levels of tretinoin are not increased following bid dosing with this combination formulation. The safety of Mequinol in this combination formulation is supported by the low systemic exposures of the subjects in this study compared with the systemic exposures at the highest doses in the dermal toxicity studies in mice (16.6-fold) and rats (34.6-fold). Copyright © 1999 John Wiley & Sons, Ltd.

  • Percutaneous absorption of [3H]tretinoin and systemic exposure to Mequinol after dermal application of 2% Mequinol/0.01% [3H]tretinoin (Solagé®) solution in healthy volunteers
    Biopharmaceutics & Drug Disposition, 1999
    Co-Authors: Donald W Everett, Thomas J Franz, Theodore J Chando, Paul A Lehman, Edmund H Schwarzel, Prakash Parab, P. Jane Gale, Celia D’arienzo, Kishin J Kripalani
    Abstract:

    Solage® is a combination product composed of 2% Mequinol (4-hydroxyanisole) and 0.01% tretinoin (all-trans-retinoic acid) in an ethanolic solution, which is being studied for its safety and efficacy as a topical treatment for disorders of skin hyperpigmentation. The purpose of this study was to evaluate the extent of percutaneous absorption of [3H]tretinoin and to estimate the systemic exposure to Mequinol from this combination product when topically applied to the backs of healthy subjects. Eight subjects received bid topical applications of nonradiolabelled 2% Mequinol/0.01% tretinoin solution on a 400 cm2 area of the back for 14 days. The subjects then received a single topical application of 2% Mequinol/0.01% [3H]tretinoin solution. After 12 h, the radiolabelled dose was removed and bid treatment with nonradiolabelled 2% Mequinol/0.01% tretinoin solution was continued for 7 days. Plasma, urine and faecal samples were analysed for total radioactivity and plasma was analysed for both Mequinol and tretinoin by GC/MS procedure. Mean percutaneous absorption of [3H]tretinoin based on the cumulative recoveries of radioactivity in the urine and faeces was about 4.5% (median 2.18%). Tretinoin concentrations in plasma did not increase above endogenous levels. This was consistent with the concentrations of radioactivity in plasma, which showed an average Cmax of 91 pg-eq/mL (median 26 ng/mL). Average Cmax and AUC0–12 h values for Mequinol were 10 ng/mL and 33 ng h/mL, respectively. Based on the results of this study, systemic toxicity from topical application of tretinoin in this formulation is unlikely, because percutaneous absorption of tretinoin is minimal and because endogenous levels of tretinoin are not increased following bid dosing with this combination formulation. The safety of Mequinol in this combination formulation is supported by the low systemic exposures of the subjects in this study compared with the systemic exposures at the highest doses in the dermal toxicity studies in mice (16.6-fold) and rats (34.6-fold). Copyright © 1999 John Wiley & Sons, Ltd.

Vasilios G Stavros - One of the best experts on this subject based on the ideXlab platform.

  • Competing 1πσ* mediated dynamics in Mequinol: O–H versus O–CH3 photodissociation pathways
    Physical Chemistry Chemical Physics, 2012
    Co-Authors: David J. Hadden, Gareth M Roberts, Tolga N V Karsili, Michael N R Ashfold, Vasilios G Stavros
    Abstract:

    Deactivation of excited electronic states through coupling to dissociative 1πσ* states in heteroaromatic systems has received considerable attention in recent years, particularly as a mechanism that contributes to the ultraviolet (UV) photostability of numerous aromatic biomolecules and their chromophores. Recent studies have expanded upon this work to look at more complex species, which involves understanding competing dynamics on two different 1πσ* potential energy surfaces (PESs) localized on different heteroatom hydride coordinates (O–H and N–H bonds) within the same molecule. In a similar spirit, the work presented here utilizes ultrafast time-resolved velocity map ion imaging to study competing dissociation pathways along 1πσ* PESs in Mequinol (p-methoxyphenol), localized at O–H and O–CH3 bonds yielding H atoms or CH3 radicals, respectively, over an excitation wavelength range of 298–238 nm and at 200 nm. H atom elimination is found to be operative via either tunneling under a conical intersection (CI) (298 ≥ λ ≥ 280 nm) or ultrafast internal conversion through appropriate CIs (λ ≤ 245 nm), both of which provide mechanisms for coupling onto the dissociative state associated with the O–H bond. In the intermediate wavelength range of 280 ≥ λ ≥ 245 nm, mediated H atom elimination is not observed. In contrast, we find that state driven CH3 radical elimination is only observed in the excitation range 264 ≥ λ ≥ 238 nm. Interpretation of these experimental results is guided by: (i) high level complete active space with second order perturbation theory (CASPT2) calculations, which provide 1-D potential energy cuts of the ground and low lying singlet excited electronic states along the O–H and O–CH3 bond coordinates; and (ii) calculated excitation energies using CASPT2 and the equation-of-motion coupled cluster with singles and doubles excitations (EOM-CCSD) formalism. From these comprehensive studies, we find that the dynamics along the O–H coordinate generally mimic H atom elimination previously observed in phenol, whereas O–CH3 bond fission in Mequinol appears to present notably different behavior to the CH3 elimination dynamics previously observed in anisole (methoxybenzene).

  • competing 1πσ mediated dynamics in Mequinol o h versus o ch3 photodissociation pathways
    Physical Chemistry Chemical Physics, 2012
    Co-Authors: David J. Hadden, Gareth M Roberts, Tolga N V Karsili, Michael N R Ashfold, Vasilios G Stavros
    Abstract:

    Deactivation of excited electronic states through coupling to dissociative 1πσ* states in heteroaromatic systems has received considerable attention in recent years, particularly as a mechanism that contributes to the ultraviolet (UV) photostability of numerous aromatic biomolecules and their chromophores. Recent studies have expanded upon this work to look at more complex species, which involves understanding competing dynamics on two different 1πσ* potential energy surfaces (PESs) localized on different heteroatom hydride coordinates (O–H and N–H bonds) within the same molecule. In a similar spirit, the work presented here utilizes ultrafast time-resolved velocity map ion imaging to study competing dissociation pathways along 1πσ* PESs in Mequinol (p-methoxyphenol), localized at O–H and O–CH3 bonds yielding H atoms or CH3 radicals, respectively, over an excitation wavelength range of 298–238 nm and at 200 nm. H atom elimination is found to be operative via either tunneling under a conical intersection (CI) (298 ≥ λ ≥ 280 nm) or ultrafast internal conversion through appropriate CIs (λ ≤ 245 nm), both of which provide mechanisms for coupling onto the dissociative state associated with the O–H bond. In the intermediate wavelength range of 280 ≥ λ ≥ 245 nm, mediated H atom elimination is not observed. In contrast, we find that state driven CH3 radical elimination is only observed in the excitation range 264 ≥ λ ≥ 238 nm. Interpretation of these experimental results is guided by: (i) high level complete active space with second order perturbation theory (CASPT2) calculations, which provide 1-D potential energy cuts of the ground and low lying singlet excited electronic states along the O–H and O–CH3 bond coordinates; and (ii) calculated excitation energies using CASPT2 and the equation-of-motion coupled cluster with singles and doubles excitations (EOM-CCSD) formalism. From these comprehensive studies, we find that the dynamics along the O–H coordinate generally mimic H atom elimination previously observed in phenol, whereas O–CH3 bond fission in Mequinol appears to present notably different behavior to the CH3 elimination dynamics previously observed in anisole (methoxybenzene).

David J. Hadden - One of the best experts on this subject based on the ideXlab platform.

  • Exploring the role of σ* driven photochemistry in heteroaromatic molecules
    2013
    Co-Authors: David J. Hadden
    Abstract:

    1πσ* or 1nσ* mediated dissociation of X-H and X-CH3 bonds (where X = N, O or S) has been studied herein, progressing previous work into the role of 1πσ* and 1nσ* states as mediators for excited state relaxation. By investigating the role of these states in excited state dynamics of sub-units and analogues of biomolecular systems, spectroscopic signatures can be observed with greater ease. These signatures may then be extended to elucidate the role of these dissociative states in excited state relaxation processes of more realistic systems, namely DNA bases and amino acids. The work undertaken in this thesis specifically focuses on 1πσ* mediated hydrogen elimination from imidazole and Mequinol, as well as 1πσ* or 1nσ* mediated CH3 elimination in anisole, thioanisole and Mequinol. Through the use of time resolved velocity map imaging, the timescale for these dissociation processes can be determined by independently measuring the radicals produced with a characteristic kinetic energy. From these timescales, information about the rate of coupling to these 1πσ* and 1nσ* states can be inferred. The results obtained show that population of these states can occur via several different mechanisms including: direct excitation; coupling through conical intersections; and tunnelling. The results also project the importance of 1πσ* or 1nσ* mediated processes in much larger biological systems, strongly suggesting the need to extend these measurements and begin to bridge the gap between the microscopic, such as DNA bases and amino acids, and the macroscopic, such as oligonucleotides and polypeptides.

  • Competing 1πσ* mediated dynamics in Mequinol: O–H versus O–CH3 photodissociation pathways
    Physical Chemistry Chemical Physics, 2012
    Co-Authors: David J. Hadden, Gareth M Roberts, Tolga N V Karsili, Michael N R Ashfold, Vasilios G Stavros
    Abstract:

    Deactivation of excited electronic states through coupling to dissociative 1πσ* states in heteroaromatic systems has received considerable attention in recent years, particularly as a mechanism that contributes to the ultraviolet (UV) photostability of numerous aromatic biomolecules and their chromophores. Recent studies have expanded upon this work to look at more complex species, which involves understanding competing dynamics on two different 1πσ* potential energy surfaces (PESs) localized on different heteroatom hydride coordinates (O–H and N–H bonds) within the same molecule. In a similar spirit, the work presented here utilizes ultrafast time-resolved velocity map ion imaging to study competing dissociation pathways along 1πσ* PESs in Mequinol (p-methoxyphenol), localized at O–H and O–CH3 bonds yielding H atoms or CH3 radicals, respectively, over an excitation wavelength range of 298–238 nm and at 200 nm. H atom elimination is found to be operative via either tunneling under a conical intersection (CI) (298 ≥ λ ≥ 280 nm) or ultrafast internal conversion through appropriate CIs (λ ≤ 245 nm), both of which provide mechanisms for coupling onto the dissociative state associated with the O–H bond. In the intermediate wavelength range of 280 ≥ λ ≥ 245 nm, mediated H atom elimination is not observed. In contrast, we find that state driven CH3 radical elimination is only observed in the excitation range 264 ≥ λ ≥ 238 nm. Interpretation of these experimental results is guided by: (i) high level complete active space with second order perturbation theory (CASPT2) calculations, which provide 1-D potential energy cuts of the ground and low lying singlet excited electronic states along the O–H and O–CH3 bond coordinates; and (ii) calculated excitation energies using CASPT2 and the equation-of-motion coupled cluster with singles and doubles excitations (EOM-CCSD) formalism. From these comprehensive studies, we find that the dynamics along the O–H coordinate generally mimic H atom elimination previously observed in phenol, whereas O–CH3 bond fission in Mequinol appears to present notably different behavior to the CH3 elimination dynamics previously observed in anisole (methoxybenzene).

  • competing 1πσ mediated dynamics in Mequinol o h versus o ch3 photodissociation pathways
    Physical Chemistry Chemical Physics, 2012
    Co-Authors: David J. Hadden, Gareth M Roberts, Tolga N V Karsili, Michael N R Ashfold, Vasilios G Stavros
    Abstract:

    Deactivation of excited electronic states through coupling to dissociative 1πσ* states in heteroaromatic systems has received considerable attention in recent years, particularly as a mechanism that contributes to the ultraviolet (UV) photostability of numerous aromatic biomolecules and their chromophores. Recent studies have expanded upon this work to look at more complex species, which involves understanding competing dynamics on two different 1πσ* potential energy surfaces (PESs) localized on different heteroatom hydride coordinates (O–H and N–H bonds) within the same molecule. In a similar spirit, the work presented here utilizes ultrafast time-resolved velocity map ion imaging to study competing dissociation pathways along 1πσ* PESs in Mequinol (p-methoxyphenol), localized at O–H and O–CH3 bonds yielding H atoms or CH3 radicals, respectively, over an excitation wavelength range of 298–238 nm and at 200 nm. H atom elimination is found to be operative via either tunneling under a conical intersection (CI) (298 ≥ λ ≥ 280 nm) or ultrafast internal conversion through appropriate CIs (λ ≤ 245 nm), both of which provide mechanisms for coupling onto the dissociative state associated with the O–H bond. In the intermediate wavelength range of 280 ≥ λ ≥ 245 nm, mediated H atom elimination is not observed. In contrast, we find that state driven CH3 radical elimination is only observed in the excitation range 264 ≥ λ ≥ 238 nm. Interpretation of these experimental results is guided by: (i) high level complete active space with second order perturbation theory (CASPT2) calculations, which provide 1-D potential energy cuts of the ground and low lying singlet excited electronic states along the O–H and O–CH3 bond coordinates; and (ii) calculated excitation energies using CASPT2 and the equation-of-motion coupled cluster with singles and doubles excitations (EOM-CCSD) formalism. From these comprehensive studies, we find that the dynamics along the O–H coordinate generally mimic H atom elimination previously observed in phenol, whereas O–CH3 bond fission in Mequinol appears to present notably different behavior to the CH3 elimination dynamics previously observed in anisole (methoxybenzene).