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建模聚氯酰胺溶液性质对细菌消毒动力学的影响。

Modeling the Impact of Polychloramide Solution Properties on Bacterial Disinfection Kinetics.

机构信息

Department of Chemical Engineering, McMaster University, Hamilton, OntarioL8S 4L7, Canada.

出版信息

Biomacromolecules. 2022 Sep 12;23(9):3919-3927. doi: 10.1021/acs.biomac.2c00736. Epub 2022 Aug 24.

Abstract

Anionic water-soluble polychloramide biocides are of interest because, compared to conventional cationic antimicrobial polymers, anionic biocides are less likely to be sequestered or deactivated by contact with non-microbial soil. Although electrostatics can prevent anionic polymers from adsorbing on microbes, water-soluble polychloramides appear to transfer oxidative chlorine during transient contacts between polymer chains and microbe surfaces. The Chick-Watson model of disinfection kinetics has been modified to account for the contributions of polychloramide molecular weight (MW) and the polychloramide configuration in solution estimated from the overlap concentration, *, below which dilute polymer chains exist as discrete objects in solution. The key assumption in the modeling was that the transfer rate of oxidative chlorine from polychloramide chains to microbe surfaces impacts the disinfection kinetics. Because both * and MW are measurable, the polymer-modified Chick-Watson (PCW) model has one less unknown parameter than the two-parameter Chick-Watson equation. The PCW model predicts that lower MW polymers are more effective biocides compared with high MW counterparts. Additionally, polymers with more compressed configurations in solution are more effective biocides. Experimental evidence supports these conclusions. Based on the estimated time scale of bacteria/polymer collisions compared with disinfection kinetics, arguments are made that bacteria surfaces must be contracted many times by polychloramide chains to achieve sufficient Cl transfer to deactivate bacteria.

摘要

阴离子型水溶性聚氯酰胺杀生剂之所以受到关注,是因为与传统的阳离子型抗菌聚合物相比,阴离子杀生剂不太可能被与非微生物土壤接触而隔离或失活。尽管静电可以防止阴离子聚合物吸附在微生物上,但水溶性聚氯酰胺似乎会在聚合物链和微生物表面之间的短暂接触期间转移氧化氯。已对消毒动力学的 Chick-Watson 模型进行了修改,以考虑聚氯酰胺分子量 (MW) 和聚氯酰胺在溶液中的构象的贡献,*低于该浓度,稀聚合物链在溶液中作为离散物体存在。建模的关键假设是,从聚氯酰胺链转移到微生物表面的氧化氯的转移速率会影响消毒动力学。由于 * 和 MW 都是可测量的,因此与具有两个参数的 Chick-Watson 方程相比,聚合物改性的 Chick-Watson (PCW) 模型具有一个更少的未知参数。PCW 模型预测,与高分子量对应物相比,低分子量聚合物更有效。此外,在溶液中具有更压缩构象的聚合物是更有效的杀生剂。实验证据支持这些结论。基于与消毒动力学相比细菌/聚合物碰撞的估计时间尺度,可以提出论点,即必须使细菌表面被聚氯酰胺链多次收缩,以实现足够的 Cl 转移以使细菌失活。

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