Toxicity Of Quaternary Ammonium Compounds Research Articles

Reproductive & Developmental Toxicity of quaternary ammonium compounds.

Quaternary ammonium compounds (QACs) are a class of chemicals commonly used as disinfectants in household and healthcare settings. Their usage has significantly increased in recent years due to the COVID-19 pandemic. In addition, QACs have replaced the recently banned disinfectants triclosan and triclocarban in consumer products. QACs are found in daily antimicrobial and personal care products such as household disinfectants, mouthwash, and hair care products. Due to the pervasiveness of QACs in daily use products, humans are constantly exposed. However, little is known about the health effects of everyday QAC exposure, particularly effects on human reproduction and development. Studies that investigate the harmful effects of QACs on reproduction are largely limited to high-dose studies, which may not be predictive of low dose, daily exposure, especially as QACs may be endocrine disrupting chemicals. This review analyzes recent studies on QAC effects on reproductive health, identifying knowledge gaps, and recommending future directions in QAC-related research.

P14-14: In Vivo Assessment of Pulmonary Toxicity of Quaternary Ammonium Compounds (Quats)

P14-14: In Vivo Assessment of Pulmonary Toxicity of Quaternary Ammonium Compounds (Quats)

Toxicity of Quaternary Ammonium Compounds (QACs) as single compounds and mixtures to aquatic non-target microorganisms: Experimental data and predictive models

The toxic effects of five Quaternary Ammonium Compounds (QACs) that are widely used as active ingredients in personal care products were assessed using the bioluminescent bacterium Aliivibrio fischeri (formerly Vibrio fischeri) (Microtox® test system). The experimental results showed a relevant toxicity for almost all of the single QACs, with IC50 values lower than 1mgL-1. Analysis of the mode of action through the application of the Quantitative Structure-Activity Relationship (QSAR) models indicated an a-specific reactivity for most of the QACs toward A. fischeri. Only hexadecyl trimethyl ammonium chloride (ATMAC-16) behaved as a polar-narcotic, with a low reactivity toward the bacterial cell membrane. The concentration response curves of the different binary and multicomponent mixtures of QACs were also evaluated with respect to the predictions from the Concentration Addition (CA) and Independent Action (IA) models. For almost all of the binary and multicomponent mixtures (7 out of 11 mixtures tested), an agreement between the experimental and predicted ICx was observed and confirmed via application of the Model Deviation Ratio (MDR). In four cases, some deviations from the expected behaviour were observed (potential antagonistic and synergistic interactions) at concentrations on the order of hundreds of µgL-1, which could be of environmental concern, especially in the case of synergistic effects. The analysis of aquatic ecotoxicity data and the few available values of the measured environmental concentrations (MECs) from the literature for wastewaters and receiving waterbodies suggest that a potential risk toward aquatic life cannot be excluded.

Quantitative structure–activity relationship (QSAR) study of toxicity of quaternary ammonium compounds on Chlorella pyrenoidosa and Scenedesmus quadricauda

The acute toxicity of 13 quaternary ammonium compounds (QACs) to Chlorella pyrenoidosa and Scenedesmus quadricauda was investigated in the present study. Significant inhibition on algae biomass was observed and 96h EC50-value of 13 QACs was tested. Sixteen physicochemical and quantum chemical parameters of the QACs were calculated using the semi-empirical MOPAC AMI method. The multiple linear regression (MLR) was employed to derive the quantitative structure–activity relationship (QSAR) models, by which the calculated parameters were correlated to the toxicity of QACs on the two green algaes. Results showed that the alkyl chain lengths (CL) and total connectivity (TCon) were the main descriptors in governing the log (1/EC50) values of the QACs in the two QSAR models. The two models had high predictive ability and stability, and two parameters were proved to have the general applicability in QSAR study of QACs congeners.

Sorption of quaternary ammonium compounds in soils: Implications to the soil microbial activities

Despite their widespread use in household activities and various industries, information on the toxicity of quaternary ammonium compounds (QACs) to microbial activities in soil is scant. This study investigated the effect of three commonly used QACs namely hexadecyltrimethyl ammonium bromide (HDTMA), octadecyltrimethyl ammonium bromide (ODTMA) and Arquad on dehydrogenase and potential nitrification activities in three different soils. The toxicity of QACs on the dehydrogenase activity and potential nitrification in these soils followed the order: HDTMA>ODTMA>Arquad and Arquad>HDTMA>ODTMA, respectively. HDTMA, ODTMA and Arquad exhibited toxicity to dehydrogenase activity at concentration of 50, 100 and 750mgkg−1 soil, respectively, whereas potential nitrification was inhibited by HDTMA and ODTMA even at 50mgkg−1 soil. Arquad exhibited toxicity to potential nitrification at comparatively higher concentration of 250mgkg−1 soil, with the severity of toxicity very intense at higher concentrations. The nature of QACs and soil properties influenced the toxicity. The toxic effect of QACs on soil microbial activities was more influenced by the relative release of sorbed QACs in soils. This study provides valuable information on the toxicological properties of some widely used QACs on important soil microbial activity parameters. To our knowledge, this is the first report.

A DFT-based QSAR study of the toxicity of quaternary ammonium compounds on Chlorella vulgaris

The DFT-based descriptors were used to derive the quantitative structure–activity relationship (QSAR) models enabling the calculated quantum chemistry parameters to be correlated to the toxicity of quaternary ammonium compounds (QACs) on green alga Chlorella vulgaris. DFT/B3LYP level of theory with the 6-31G(d) basis set was applied to calculate a set of quantum chemistry descriptors for 11 QACs. The partial least squares (PLS) analysis implemented in Simca-P was employed to obtain the QSAR models. The optimal PLS model with the cumulative cross-validated regression coefficient ( Q cum 2 = 0.893 ) and the correlation coefficient between observed values and fitted values ( R = 0.975) explained 95.3% of the variance of the independent variables and 92.8% of the variance of the dependent variable. The results of this investigation show that alkyl chain lengths ( CL), polarizability tense ( α zz ), the most positive net atomic charges on a hydrogen atom ( q H + ) and entropy ( S o) are the major descriptors in governing the log(1/EC 50) values of the QACs.

Effect of organic carbon on the uptake and toxicity of quaternary ammonium compounds to the fathead minnow,Pimephales promelas

The effect of dissolved organic, carbon on the uptake and toxicity of quaternary ammonium compounds was investigated with the fathead minnow, Pinephales promelas Aldrich humic acid (HA) reduced the toxicity of dioctadccyl dimethyl ammonium chloride (DODMAC) and monotallow trimethyl ammonium chloride (C1c 1gTMAC) but had no effect on the toxicity of tetradecyl trimethyl ammonium chloride (CgTMAC) dodecyl trimethyl ammonium chloride (C12, TMAC) or of octyl trimethyl ammonium chloride (CbTMAC) Aldrich HA also reduced the uptake rate constant of DODMAC and C16 12TMAC For DODMAC, the reduction in toxicity observed by Aldrich HA was similar to those observed with Suwannee River and Nordic Aquatic HAs and organic carbon from two river waters For C1c 1gTMAC Suwannee River and Nordic Aquatic HAs and river water organic carbon caused a significant amelioration of toxicity This amchoration of toxicity was quantitatively less than predicted based on Aldrich HA

The Toxic Effects in Turkey Poults of a Quaternary Ammonium Compound in Drinking Water at 150 and 200 ppm

There is a surprising paucity of references concerning the safety and toxicity of quaternary ammonium compounds (QAC) used in the drinking water of poultry. Nonetheless, in 1948 the Food and Drug Administration (5) cleared unspecified QAC's for use in poultry drinking water at 100-200 ppm. Nine different QAC's manufactured or distributed by 12 firms are labeled for use at these levels, with claims of economy, value as a water disinfectant, and safety. A thorough literature search yielded only three publications on its use in drinking water. Combs et al. (2) found that alkyl tolyl methyl trimethyl ammonium chloride at 100 ppm administered to chicks during their first 10 weeks of life did not depress growth. Dam and Norris (4) found that benzalkonium chloride at 250 ppm was tolerated in chicks during their first four weeks of life, but that 300 ppm "markedly depressed growth." Lillie and co-workers (7) reported that benzethonium chloride at 100 and 250 ppm in chicks during their first 10 weeks of life was tolerated with one diet, whereas with a second diet their growth was depressed slightly to moderately. Seven publications were found on effects of QAC in feed (1,7,8,10,11,12,13). Five of these papers reported experiments to test QAC's possible value in promoting growth. Extrapolation of these data in terms of its safety in drinking water is fraught with pitfalls arising from the influential characteristic properties of QAC, such as : "adsorption phenomenon," "organic matter effect," "pH effect," "protein effect," etc. (3,14). Furthermore, the objectionable taste of QAC would be a palatability factor more critical in water than in feed.