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At least 19 recordsLinked to original sources

PubMed2004

Hydrogen-bonding adducts of benzenepolycarboxylic acids with N,N-dimethylformamide: benzene-1,4-dicarboxylic acid N,N-dimethylformamide disolvate, benzene-1,2,4,5-tetracarboxylic acid N,N-dimethylformamide tetrasolvate and benzene-1,2,3-tricarboxylic acid N,N-dimethylformamide disolvate monohydrate.

The N,N-dimethylformamide (DMF) solvates of terephthalic acid, H(2)TA.2DMF (C(8)H(6)O(6).2C(3)H(7)NO), pyromellitic acid, H(4)PMA.4DMF (C(10)H(6)O(8).4C(3)H(7)NO), and hemimellitic acid, H(3)HMA.2DMF.H(2)O (C(9)H(6)O(6).2C(3)H(7)NO.H(2)O), are reported. The DMF solvate of terephthalic acid is centrosymmetric, containing one complete formula unit in the asymmetric unit. Both carboxylic acid groups hydrogen bond to a DMF molecule via an R(2)(2)(7) O-H.O/C-H.O motif. Discrete H(2)TA.2DMF units are observed. The DMF solvate of pyromellitic acid is centrosymmetric and the asymmetric unit contains half a formula unit. One of the unique carboxylic acid groups forms an R(2)(2)(7) motif with a DMF molecule, while the other forms a linear O-H.O hydrogen bond to the second unique DMF molecule. Discrete H(4)PMA.4DMF units are observed. The DMF solvate of hemimellitic acid is non-centrosymmetric and includes a molecule of water per formula unit. Both DMF molecules form an R(2)(2)(7) motif with the two outer carboxylic acid groups of HMA. A one-dimensional ladder structure is formed via hydrogen bonding between the central carboxylic acid group and the water molecules. The carboxylic acid R(2)(2)(8) head-to-tail motif is not observed in any of these examples. The inclusion of DMF thereby has the effect of limiting the dimensionality of the structures.

Journal Article↗

PubMed1995

Biological monitoring of workers exposed to N-N-dimethylformamide. II. Dimethylformamide and its metabolites in urine of exposed workers.

N,N-Dimethylformamide (DMF) exposure was monitored in a synthetic leather factory; at the same time, urinary dimethylformamide and its metabolites were measured in urine samples collected before and at the end of workshifts. The study was run during two different periods. During the first phase ten workers were observed for 3 days (Monday, Tuesday and Wednesday) in the same week. In the second phase 16 workers were involved in the study on a Friday and on the following Monday. Urinary DMF, as well as hydroxymethyl-N-methylformamide and hydroxymethylformamide [measured as N-methylformamide (NMF) and formamide, respectively], were measured as a "physiological" product in subjects not exposed to dimethylformamide. Environmental exposure to DMF ranged between 10 and 25 mg/m3. The unmodified solvent found in urine collected at the end of the exposure was significantly related to the environmental concentrations of DMF; its urinary concentrations were found to range between 0.1 and 1 mg/l. Higher concentrations of NMF (mean 23.3 mg/l) and formamide (24.7 mg/l) were measured in urine samples collected at the end of workshifts. The same concentrations were related to individual exposures to DMF. N-Acetyl-S-(N-methylcarbamoyl)cysteine in the urine of workers exposed to DMF showed a mean concentration of 40.4 mg/l on Friday (before and after the workshift) and a mean concentration of 10.3 mg/l on Monday. Its slow kinetic profile favours its body accumulation during the working week.(ABSTRACT TRUNCATED AT 250 WORDS)

Acetylcysteine↗

PubMed2004

Racemic 5-(4-chlorophenyl)-2-methoxyindeno[1',2':2,3]pyrido[5,6-d]pyrimidine-4,6(3H,5H)-dione-dimethylformamide (1/1) and (5RS,5aSR,10bSR)-10b-hydroxy-2-methoxy-5-(4-methoxyphenyl)-5a,10b-dihydroindeno[1',2':2,3]pyrido[5,6-d]pyrimidine-4,6(3H,5H)-dione-dimethylformamide (1/1): chains of rings generated by N-H...O and C-H...pi(arene) hydrogen bonds.

5-(4-Chlorophenyl)-2-methoxyindeno[1',2':2,3]pyrido[5,6-d]pyrimidine-4,6(3H,5H)-dione crystallizes as a 1:1 dimethylformamide solvate, C21H14ClN3O3.C3H7NO. The heterocyclic molecules contain a planar fused-ring system and they are linked by paired N-H...O hydrogen bonds [H...O = 1.85 A, N.O = 2.735 (4) A and N-H...O = 179 degrees ] into centrosymmetric dimers, which are themselves linked into chains by a single C-H.pi(arene) hydrogen bond. 10b-Hydroxy-2-methoxy-5-(4-methoxyphenyl)-5a,10b-dihydroindeno[1',2':2,3]pyrido[5,6-d]pyrimidine-4,6(3H,5H)-dione also crystallizes as a 1:1 dimethylformamide solvate, C22H19N3O5.C3H7NO. The heterocyclic molecules contain a sharply folded fused-ring system and they are linked by two independent N-H...O hydrogen bonds [H...O = 1.92 and 2.18 A, N...O = 2.801 (2) and 3.051 (2) A, and N-H...O = 175 and 173 degrees ] into chains of rings. In both compounds, the dimethylformamide molecules are pendent from the chains, linked via N-H...O and O-H...O hydrogen bonds, respectively.

Journal Article↗

PubMed1996

One-step esterification of benzoylecgonine with dimethylformamide-dipropylacetal or dimethylformamide-diisopropylacetal in the presence of pyridine.

A simple procedure was developed to derivatize benzoylecgonine extracted from urine for subsequent confirmation by gas chromatography-mass spectrometry. The compound was esterified with dimethylformamide-dipropylacetal (DMF-DPA) or dimethylformamide-diisopropylacetal (DMF-DIPA) to the corresponding propyl and isopropyl esters. The optimum reaction condition was found to be heating the reaction mixture in the presence of pyridine at 100 degrees C for 30 min. The procedure is a one-step esterification followed by evaporation of excess reagents. When benzoylecgonine was extracted from urine using a solid-phase extraction technique and derivatized with this procedure, the compound was detected at a level as low as 10 ng/mL. Quantitation was linear over the concentration range 10-8000 ng/mL.

Acetals↗

PubMed1992

Occupational dimethylformamide exposure. 1. Diffusive sampling of dimethylformamide vapor for determination of time-weighted average concentration in air.

A diffusive sampling method with water as absorbent was examined in comparison with 3 conventional methods of diffusive sampling with carbon cloth as absorbent, pumping through National Institute of Occupational Safety and Health (NIOSH) charcoal tubes, and pumping through NIOSH silica gel tubes to measure time-weighted average concentration of dimethylformamide (DMF). DMF vapors of constant concentrations at 3-110 ppm were generated by bubbling air at constant velocities through liquid DMF followed by dilution with fresh air. Both types of diffusive samplers could either absorb or adsorb DMF in proportion to time (0.25-8 h) and concentration (3-58 ppm), except that the DMF adsorbed was below the measurable amount when carbon cloth samplers were exposed at 3 ppm for less than 1 h. When both diffusive samplers were loaded with DMF and kept in fresh air, the DMF in water samplers stayed unchanged for at least for 12 h. The DMF in carbon cloth samplers showed a decay with a half-time of 14.3 h. When the carbon cloth was taken out immediately after termination of DMF exposure, wrapped in aluminum foil, and kept refrigerated, however, there was no measurable decrease in DMF for at least 3 weeks. When the air was drawn at 0.2 l/min, a breakthrough of the silica gel tube took place at about 4,000 ppm.min (as the lower 95% confidence limit), whereas charcoal tubes could tolerate even heavier exposures, suggesting that both tubes are fit to measure the 8-h time-weighted average of DMF at 10 ppm.

Air Pollutants, Occupational↗

PubMed1992

Occupational dimethylformamide exposure. 2. Monomethylformamide excretion in urine after occupational dimethylformamide exposure.

The relationship between the 8-h time-weighted average (TWA) intensity of exposure to N,N-dimethylformamide (DMF) vapor (with little possibility of skin contact with liquid DMF) and the subsequent excretion of N-monomethylformamide (MMF) precursor in shift-end urine samples was examined in 116 workers exposed to DMF and 92 workers exposed to DMF in combination with toluene. Urinary MMF level was examined also in 42 non-exposed subjects. The TWA vapor concentration in breathing zone air of each worker was successfully measured by means of a recently developed diffusive sampler in which water was used as an absorbent. The examination of gas chromatographic (GC) conditions for MMF determination showed that the formation of MMF was not saturated when the injection port temperature was set at 200 degrees C, reached a plateau at 250 degrees C, and showed no additional increase at 300 degrees C. There was a linear relationship between DMF in air and MMF in urine with a regression equation of y = 1.65 x + 1.69 (r = 0.723, P less than 0.01), where y is MMF (unit; mg/l, uncorrected for urine density) in urine and x is DMF (ppm) in air, when only those exposed to DMF were selected, and the injection port temperature was set at 250 degrees C. From this equation, it was possible to estimate that about 10% of the DMF absorbed will be excreted into urine as the MMF precursor. The slope of the regression line was significantly smaller among those exposed to DMF and toluene in combination as compared with those with DMF exposure only.

Adult↗

PubMed1992

Occupational dimethylformamide exposure. 3. Health effects of dimethylformamide after occupational exposure at low concentrations.

A factory survey was conducted in a plant where N,N-dimethylformamide (DMF) was in use during the production of polyurethane plastics and related materials. In all, 318 DMF-exposed workers (195 men and 123 women) and 143 non-exposed controls (67 men and 76 women) were examined for time-weighted average exposure (to DMF and other solvents by diffusive sampling), hematology, serum biochemistry, subjective symptoms, and clinical signs. Most of the exposed workers were exposed only to DMF, whereas others were exposed to a combination of DMF and toluene. DMF exposure in the former group was up to 7.0 ppm (geometric mean on a workshop basis), whereas it was up to 2.1 ppm in combination with 4.2 ppm toluene. Both hematology and serum biochemistry, results (including aspartate and alanine aminotransferases, gamma-glutamyl transpeptidase and amylase) were essentially comparable among the 3 groups. There was, however, a dose-dependent increase in subjective symptoms, especially during work, and in digestive system-related symptoms such as nausea and abdominal pain in the past 3-month period. The prevalence rate of alcohol intolerance complaints among male (assumedly) social drinkers was also elevated in relation to DMF dose.

Adolescent↗

PubMedDate not supplied

Investigation of the mechanistic basis of N,N-dimethylformamide toxicity. Metabolism of N,N-dimethylformamide and its deuterated isotopomers by cytochrome P450 2E1.

Dimethylformamide (DMF) is an industrial solvent with hepatotoxic properties. The toxicity of DMF has been associated with its metabolism to S-(N-methylcarbamoyl)glutathione (SMG). The major urinary metabolite of DMF is N-(hydroxymethyl)-N-methylformamide (HMMF). HMMF undergoes oxidation in the formyl moiety, possibly via the intermediacy of its hydrolysis product N-methylformamide (NMF), and the reactive intermediate thus generated reacts with glutathione to yield SMG. Experiments were conducted to elucidate enzymatic details of the metabolism of DMF. Generation of HMMF from DMF in microsomes from rats which had received acetone, an inducer of cytochrome P450 2E1, was increased by 175% over that observed in control microsomes. In liver microsomes from 4 humans the metabolism of DMF to HMMF was inhibited by a monospecific antibody against rat liver P450 2E1, and the metabolic rates were correlated with those of NMF to SMG, a process known to be mediated via P450 2E1. DMF was also metabolized by purified rat liver P450 2E1. The kinetic parameters which characterize the metabolism of DMF or its deuterated isotopomers to the respective HMMF isotopomers, of HMMF to SMG and of NMF to SMG in liver microsomes, were computed from Eadie-Hofstee plots. The affinity of DMF for the metabolizing enzyme in rat liver microsomes is considerably higher (apparent Km = 0.20 mM) than that of NMF (Km = 4.28 mM) or of HMMF (Km = 2.52 mM). The respective values observed with human microsomes are very similar. The apparent Km values for the N-methyl oxidation of N,N-dimethyldeuterioformamide ([2H1]DMF) and N,N-bis(trideuteriomethyl)formamide ([2H6]DMF) in rat microsomes are 0.14 and 0.21 mM, respectively. The apparent Vmax for the oxidation of [2H1]DMF is similar to that computed for DMF, and the Vmax for [2H6]DMF is less than half of that computed for DMF. The kinetic deuterium isotope effect (KDIE) on DMF metabolism was determined in incubations with rat microsomes in three ways: (i) the noncompetitive intermolecular KDIE by the ratio of Vmax/Km for DMF to Vmax/Km for [2H6]DMF, (ii) the competitive intermolecular KDIE as the quotient of metabolic products HMMF to N-(hydroxydideuteriomethyl)-N-(trideuteriomethyl)formamide in incubations of DMF together with [2H6]DMF, and (iii) the intramolecular KDIE as the quotient of the ratio of N-(hydroxymethyl)-N-(trideuteriomethyl)formamide to N-(hydroxydideuteriomethyl)-N-methylformamide generated from N-(trideuteriomethyl)-N-methylformamide ([2H3]DMF). The respective values were found to be (i) 2.4, (ii) 5.0, and (iii) 5.2. DMF inhibited the oxidation of NMF or HMMF to SMG.(ABSTRACT TRUNCATED AT 400 WORDS)

Amides↗

PubMed2001

trans-Bis(2-amino-6-nitro-1,3-benzothiazole-N)dichloroplatinum(II) tetrakis(N,N'-dimethylformamide) solvate and tetrakis(2-amino-5-methyl-1,3,4-thiadiazole-N4)platinum(II) hexachloroplatinate(IV) bis(N,N'-dimethylformamide) solvate.

The structures of the title compounds, [PtCl(2)(C(7)H(5)N(3)O(2)S)(2)].4C(3)H(7)NO, (I), and [Pt(C(3)H(5)N(3)S)(4)][PtCl(6)].2C(3)H(7)NO, (II), respectively, comprise square-planar Pt(II) centres. In the cation and anion of (II), the Pt atoms lie on independent inversion centres. For (I), the metal atom is N-bonded to two trans organic ligands and also bonded to two Cl atoms, whereas in (II), the Pt atom is N-bonded to four organic ligands, the charge being balanced by the presence of an additional [PtCl(6)](2-) species (from the starting material). Both structures contain dimethylformamide solvate molecules, four in the asymmetric unit of (I) and one in (II), which are involved in the hydrogen-bonding network via N-H.X and C-H.X associations.

Journal Article↗

PubMed2006

Bis(mu6-cis-2,4,6,8,10,12,14,16-octamethylcyclooctasiloxane-2,4,6,8,10,12,14,16-octolato)octakis[(dimethylformamide)copper(II)] dimethylformamide solvate enclosing a pyrazine molecule.

The title compound, [Cu8(C8H24O2Si)2(C3H7NO)8].C4H4N2.C3H7NO, features a sandwich-like cage enclosing a pyrazine molecule, both situated on a centre of inversion. In addition, the crystal structure contains one dimethylformamide molecule which is disordered over a centre of inversion. The copper layer, containing eight atoms, is located between two siloxanolate fragments. The whole structure of Cu atoms and siloxanolate rings is distorted by the pyrazine molecule, leading to an oval form. As a result, the angles between the Cu atoms differ at the copper layer. The difference in the angles could lead to some deviations in the Cu-Cu exchange interactions within the copper ring, which is of interest for molecular magnetism.

Journal Article↗

PubMed1982

Charcoal sampling and gas chromatographic determination of N,N-dimethylformamide in air samples from a polyurethane plant.

A charcoal sampling method and a gas chromatographic determination of N,N-dimethylformamide in the air of a plant producing polyurethane lumps is described. The collection efficiency was checked by drawing standard N,N-dimethylformamide air mixtures through the sampling tube at 0.1 1/min and detecting the organic vapors spectrophotometrically at 215.4 nm. At 1,000 mg/m3, samplings could be carried out for 190 min with negligible N,N-dimethylformamide losses (lower than 1%). The analysis of N,N-dimethylformamide was performed by gas chromatography on Porapack Q and Tenax GC after extraction with 2 ml of acetone/100 mg of charcoal, with a mean recovery of 90 (SD 2) %, in the range of 0.05-0.5 mg of N,N-dimethylformamide/100 mg of charcoal. The relative standard deviation of the entire procedure was 3.5%. Because of the good adsorbing efficiency of the charcoal, short-term sampling could be carried out at a relatively high N,N-dimethylformamide concentration. Stationary and personal sampling resulted in mean values ranging between 1.26 and 1.60 mg/m3. The method is particularly suitable in instances where other pollutants are present, and therefore it can be used also for other work areas as well.

Adsorption↗

PubMed1990

Alteration of lacto-series glycolipid glycosyltransferase activities in human colonic adenocarcinoma DLD-1 cells after culture in N,N-dimethylformamide-containing medium.

Human colonic adenocarcinoma DLD-1 cells were grown under conditions which induce characteristics of differentiated cells using medium containing 0.8% N,N-dimethylformamide in order to study alterations in glycosphingolipid glycosyltransferase activities during this process. Analysis of biosynthetic reactions involved in lacto-series antigen synthesis revealed no changes in the specific activities of either beta 1----4galactosyltransferase or alpha 1----3/4fucosyltransferase with N,N-dimethylformamide treatment. However, a dramatic decrease of from 14- to 20-fold in the beta 1----3N-acetylglucosaminyltransferase activity was observed in the treated cells. This enzyme catalyzes the rate-limiting step in lacto-series core chain synthesis. This is consistent with the pattern of regulation of lacto-series antigen expression found to occur during oncogenesis in human colonic mucosa (Holmes EH, Hakomori S, Ostrander GK: J Biol Chem 262:15649, 1987). Total glycolipids from untreated and N,N-dimethylformamide-treated cells were isolated and subjected to TLC immunostain analysis and solid phase radioimmunoassay with a series of monoclonal antibodies specific for lacto-series-based carbohydrate antigens. A decrease of about 2-fold or less in the quantity of lacto-series antigens was observed as a consequence of N,N-dimethylformamide treatment in both neutral glycolipid and ganglioside fractions. The results suggest that only very low levels of beta 1----3N-acetylglucosaminyltransferase activity are required for the steady state expression of significant levels of lacto-series based glycolipids and that modulation of its activity levels by N,N-dimethylformamide treatment in DLD-1 cells represents a convenient in vitro system for studying aspects of regulation of lacto-series antigen expression.

Adenocarcinoma↗

PubMed2001

Analysis of urinary N-acetyl-S-(N-methylcarbamoyl)cysteine, the mercapturic acid derived from N,N-dimethylformamide.

Human biotransformation of the industrial solvent N,N-dimethylformamide gives raise to N-acetyl-S-(N-methylcarbamoyl)cysteine (AMCC) which has the longest half-life (about 23 h) among urinary metabolites of N,N-dimethylformamide. It could be used for monitoring industrial exposure over several workdays, by measuring it in urine samples collected at the end of the working week. This is consistent with the suggestions of the American Conference of Governmental Industrial Hygienists, which established a limit of 40 mg/l for the year 2000. An easy, cheap and user-friendly method has been developed for determination of urinary AMCC. Unlike currently available methods, it requires neither a time-consuming preparation phase nor gas chromatographic analysis with a nitrogen-phosphorus or mass detector. The method uses high-performance liquid chromatography (HPLC), with an UV detector at 436 nm. A 10-microl volume of urine is added to a carbonate-hydrogen carbonate buffer and mixed with a dabsyl chloride solution in acetonitrile. The reaction between AMCC and the reagent is performed at 70 degrees C for 10 min. The 'dabsylated' product is stable for at least 12 h. After brief centrifugation, the solution is ready for HPLC analysis using a C18 column (250 x 4.6 mm, 5 microm). The method is sensitive (detection limit 1.8 mg/l) and specific. It identified urinary AMCC in urine of 40 subjects not exposed to N,N-dimethylformamide with a median concentration of 3.9 mg/l. In urine samples from 20 workers exposed to N,N-dimethylformamide (5-40.8 mg/m3), AMCC concentrations ranged from 16 to 170 mg/l. Industrial toxicology laboratories with limited instrumentation will be able to use it in the biological monitoring of workers exposed to N,N-dimethylformamide.

Acetylcysteine↗

PubMed1980

N-N-dimethylformamide concentration in environmental and alveolar air in an artificial leather factory.

N-N-Dimethylformamide was determined every hour during the eight hours of the work shift in the alveolar air of eight workers employed in an artificial leather factory and in the breathing zone of the eight workers. The alveolar ventilation of each worker was measured for 10 minutes during the work shift. Alveolar dimethylformamide concentration (Ca) was correlated with the environmental concentration (Ci) in six of the eight workers. The amount of dimethylformamide retained per litre of ventilated air, calculated as the difference (Ci - Ca), was correlated with environmental concentration in seven of the eight workers. Lung uptake of dimethylformamide per minute was correlated with environmental concentration in all eight workers. The ratios between alveolar and environmental concentration (Ca/Ci x 100) and the lung retention of dimethylformamide, calculated by the formula (1 - Ca/Ci) x 100, were 27.8% and 72.2% respectively. They did not show any correlation with environmental concentration, exposure time, or alveolar ventilation.

Air Pollutants↗

PubMedDate not supplied

[Acute dimethylformamide (DMF) poisoning: a case report].

This paper describes a case of acute occupational intoxication by dimethylformamide in a worker assigned to polyurethanic resin preparation in a simulated leather factory. The peculiarity of this case is constituted by the association of a dimethylformamide classic clinical syndrome, frequently described in the scientific literature (alcohol intolerance, gastroenteric manifestations with liver injury), with coagulation alterations and thrombocytopenia. Measurement of environmental concentrations of the solvents and biological monitoring revealed high levels of exposure to dimethylformamide at the workplace. Our observations confirm the effects of dimethylformamide on hemostasis reported by other authors in previous studies. It is possible to speculate that the effects of dimethylformamide on coagulation and platelets strictly depend on the amount of solvent accumulated in the body.

Acute Disease↗

PubMed1998

Glass-forming tendency and stability of aqueous solutions of diethylformamide and dimethylformamide

The glass-forming tendency on cooling and the stability of the wholly amorphous state on warming of aqueous solutions of diethylformamide and of dimethylformamide have been studied by calorimetry. With diethylformamide, only ice formation is observed except on warming at the lowest rate of 2.5 degreesC/min, where occasionally a hydrate forms also. The hydrate was observed up to 10 degreesC/min with 50% diethylformamide. With dimethylformamide hydrates form even at high warming rates. The last hydrate melts at -47.7 degreesC. The warming thermograms are much more complicated than for diethylformamide. For the glass-forming tendency on cooling, as well as for the stability of the wholly amorphous state on warming, these two compounds, at concentrations of 40, 45, or 50% (w/w) in water, are more efficient than glycerol and ethylene glycol, but less than 1,2-propanediol and levo-2,3-butanediol. On warming, they are comparable to DMSO. Pure diethylformamide could not be crystallized, whereas, conversely, pure dimethylformamide could not be vitrified. Curiously, the glass transition of aqueous solutions of diethylformamide increases and then decreases with the diethylformamide concentration in water, contrary to other cryoprotectants, for which it always increases or decreases. Diethyl- and dimethylformamide could be interesting cryoprotectants if they are not too toxic when added before cryopreservation, and in the case of dimethylformamide, if one can avoid damage due to its hydrates. Copyright 1998 Academic Press.

Journal Article↗

PubMed1991

Inhibition of photophosphorylation and electron transport by N,N-dimethylformamide.

The basal electron transport of pea chloroplasts was inhibited by 78% by 7% (v/v) N,N-dimethylformamide; the inhibition was partially reversed by NH4Cl. N,N-Dimethylformamide also inhibited the Pi-ATP exchange, ATP synthesis and to a smaller extent Mg2+-ATPase activity. Light induced proton uptake was not affected by up to 30% (v/v) N,N-dimethylformamide. Uncoupled electron transport in photosystem II was inhibited to a larger extent by N,N-dimethylformamide than in photosystem I. These results indicate that N,N-dimethylformamide acts as an inhibitor of energy transfer and electron transport.

Journal Article↗

PubMed2004

Solvation dynamics of formamide and N,N-dimethylformamide in aerosol OT reverse micelles.

The solvation dynamics of formamide and N,N-dimethylformamide in Aerosol OT reverse micelles has been investigated in this work. The solvation dynamics of formamide and N,N-dimethylformamide in the reverse micelles is more than 100 times slower than that of the pure solvents. The solvation dynamics of formamide in the reverse micelle solution depends strongly on the molar ratio between formamide and Aerosol OT (w = [polar solvent]/[Aerosol OT]), but that of N,N-dimethylformamide in the reverse micelle solution shows a tiny w dependence. We have estimated the interaction energies of the geometry-optimized clusters of a simple model of the Aerosol OT polar headgroup (CH3SO3-) and formamide or N,N-dimethylformamide by ab initio calculations (the second-order Møller-Plesset perturbation theory) to find their interactions. The interaction energies of the mimic clusters estimated by the ab initio calculations and the features of the slow solvation dynamics and w dependence in formamide and N,N-dimethylformamide reverse micelles are discussed.

Journal Article↗