F13002

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Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).

Giulia Caron et al.

Journal of medicinal chemistry, 48(9), 3269-3279 (2005-04-29)

Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm of the partition coefficient of the neutral species in

Biotransformation of halophenols using crude cell extracts of Pseudomonas putida F6.

S J Brooks et al.

Applied microbiology and biotechnology, 64(4), 486-492 (2003-12-03)

Crude cell extracts of Pseudomonas putida F6 transformed 4-substituted fluoro-, chloro-, bromo- and iodo-phenol without the exogenous addition of cofactors. The rate of substrate consumption decreased with increasing substituent size (F>Cl>Br>I). Biotransformations resulted in greater than 95% utilisation of the

Biodegradation of meta-fluorophenol by an acclimated activated sludge.

Zhang Chaojie et al.

Journal of hazardous materials, 141(1), 295-300 (2006-08-16)

An acclimated activated sludge was examined for its ability to degrade meta-fluorophenol as sole carbon source in aerobic batch cultures. The mechanism study revealed that the initial step in the aerobic biodegradation of meta-fluorophenol was their transformation to fluorocatechol. Following

[Biodegradability and degradation mechanism of 3-fluorophenol by the activated sludge].

Chao-jie Zhang et al.

Huan jing ke xue= Huanjing kexue, 27(9), 1841-1845 (2006-11-30)

An acclimated activated sludge was examined for its ability to degrade 3-fluorophenol in aerobic batch cultures. The result indicated that the organism degrades up to 100 mg/L 3-fluorophenol completely with approximately 100% fluoride anion release within 16 h. 3-Fluorophenol can

Development and application of oxygen production rate assessment to uptake of fluorinated organics by Lemna minor.

Dawn Marie Reinhold et al.

Environmental toxicology and chemistry, 25(11), 3039-3045 (2006-11-09)

The effects of contaminant concentration on contaminant removal by Lemna minor were examined under elevated plant densities typical of full surface coverage. Uptake of 3-fluorophenol and 3-trifluoromethylphenol by L. minor was determined at concentrations from 10 to 1750 microM. Because

Tyrosinase-generated quinones induce covalent modification, unfolding, and aggregation of human holo-myoglobin.

Alessandro Granata et al.

Biomacromolecules, 8(10), 3214-3223 (2007-09-22)

The present study describes the pattern of protein modification undergone by human holo-myoglobin by reactive fluoroquinones enzymatically produced by oxidation of 3-fluorophenol in mild conditions (pH 7.4, 25 degrees C). The fluoroquinones react with a number of histidine residues. Surface

cIEF for rapid pKa determination of small molecules: a proof of concept.

Stéphanie Romand et al.

European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences, 63, 14-21 (2014-07-06)

A capillary isoelectric focusing (cIEF) method was developed for the determination of the ionization constants (pKa) of small molecules. Two approaches used to decrease the electroosmotic flow (EOF) were compared: (i) a hydroxypropylcellulose (HPC) coated capillary in aqueous medium and

Cellular apoptosis and cytotoxicity of phenolic compounds: a quantitative structure-activity relationship study.

Cynthia D Selassie et al.

Journal of medicinal chemistry, 48(23), 7234-7242 (2005-11-11)

In this comprehensive study on the caspase-mediated apoptosis-inducing effect of 51 substituted phenols in a murine leukemia cell line (L1210), we determined the concentrations needed to induce caspase activity by 50% (I50) and utilized these data to develop the following

19F-NMR study on the pH-dependent regioselectivity and rate of the ortho-hydroxylation of 3-fluorophenol by phenol hydroxylase from Trichosporon cutaneum. Implications for the reaction mechanism.

S Peelen et al.

European journal of biochemistry, 218(2), 345-353 (1993-12-01)

The regioselectivity and rate of the ortho-hydroxylation of 3-fluorophenol by phenol hydroxylase from Trichosporon cutaneum (EC 1.14.13.7) was studied using 19F-NMR. The regioselective hydroxylation as well as the rate of ortho-hydroxylation are pH dependent with a pKa of 6.5. At

The many roles for fluorine in medicinal chemistry.

William K Hagmann

Journal of medicinal chemistry, 51(15), 4359-4369 (2008-06-24)

Structures of the monofluoro- and monochlorophenols at low temperature and high pressure.

Iain D H Oswald et al.

Acta crystallographica. Section B, Structural science, 61(Pt 1), 69-79 (2005-01-22)

2-Fluorophenol, 3-fluorophenol and 3-chlorophenol were recrystallized from frozen solids at 260, 263 and 283 K. All compounds were also crystallized by the application of high pressure (0.36, 0.12 and 0.10 GPa). While 3-fluorophenol and 3-chlorophenol yielded the same phases under

Excited state hydrogen transfer in fluorophenol.ammonia clusters studied by two-color REMPI spectroscopy.

Norihiro Tsuji et al.

Physical chemistry chemical physics : PCCP, 8(1), 114-121 (2006-02-17)

Two-color (1 + 1') REMPI mass spectra of o-, m- and p-fluorophenol.ammonia (1 ration) clusters were measured with a long delay time between excitation and ionization lasers. The appearance of NH(4)(NH(3))(n-1)(+) with 100 ns delay after exciting the S(1) state

Convenient QSAR model for predicting the complexation of structurally diverse compounds with beta-cyclodextrins.

Alfonso Pérez-Garrido et al.

Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation

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