The structure of the fire fighting foam surfactant Forafac®1157 and its biological and photolytic transformation products

For several decades, perfluorooctane sulfonate (PFOS) has widely been used as a fluorinated surfactant in aqueous film forming foams used as hydrocarbon fuel fire extinguishers. Due to concerns regarding its environmental persistence and toxicological effects, PFOS has recently been replaced by novel fluorinated surfactants such as Forafac®1157, developed by the DuPont company. The major component of Forafac®1157 is a 6:2 fluorotelomer sulfonamide alkylbetaine (6:2 FTAB), and a link between the trade name and the exact chemical structure is presented here to the scientific community for the first time. In the present work, the structure of the 6:2 FTAB was elucidated by ¹H, ¹³C and ¹⁹F nuclear magnetic resonance spectroscopy and high-resolution mass spectrometry. Moreover, its major metabolites from blue mussel (Mytilus edulis) and turbot (Scophthalmus maximus) and its photolytic transformation products were identified. Contrary to what has earlier been observed for PFOS, the 6:2 FTAB was extensively metabolized by blue mussel and turbot exposed to Forafac®1157. The major metabolite was a deacetylated betaine species, from which mono- and di-demethylated metabolites also were formed. Another abundant metabolite was the 6:2 fluorotelomer sulfonamide. In another experiment, Forafac®1157 was subjected to UV-light induced photolysis. The experimental conditions aimed to simulate Arctic conditions and the deacetylated species was again the primary transformation product of 6:2 FTAB. A 6:2 fluorotelomer sulfonamide was also formed along with a non-identified transformation product. The environmental presence of most of the metabolites and transformation products was qualitatively demonstrated by analysis of soil samples taken in close proximity to an airport fire training facility.     

A Monte Carlo study of radon detection in cylindrical diffusion chambers

The functioning of radon diffusion chambers was studied using the Monte Carlo code RAMMX developed here. The alpha particles from radon are assumed randomly produced in the volume of the cylinder, and those from the progeny are assumed to originate randomly at the cylindrical surface. The energy spectrum, the distribution of incident angles, and the distribution of path lengths of the alpha particles on the detector were obtained. These quantities vary depending on input parameters such as initial alpha particle energy, radius and depth of the diffusion chamber, detector size and atmospheric pressure. The calculated energy spectrum for both ²²²Rn and ²²⁰Rn was compared with experiment, permitting the identification of each peak and its origin, and a better understanding of radon monitoring. Three aspects not considered in previous calculations are progeny alphas coming from surfaces of the monitor, taking into account the atmospheric pressure, and including the isotope ²²⁰Rn.     

Insights into the dissolution and the three-dimensional structure of insensitive munitions formulations

Two compounds, 2,4-dinitroanisole (DNAN) and 3-nitro-1,2,4-triazol-5-one (NTO) are the main ingredients in a suite of explosive formulations that are being, or soon will be, fielded at military training ranges. We aim to understand the dissolution characteristics of DNAN and NTO and three insensitive muntions (IM) formulations that contain them. This information is needed to accurately predict the environmental fate of IM constituents, some of which may be toxic to people and the environment. We used Raman spectroscopy to identify the different constituents in the IM formulations and micro computed tomography to image their three-dimensional structure. These are the first three-dimensional images of detonated explosive particles.     

Adsorption of As(III) on chitosan-Fe-crosslinked complex (Ch-Fe)

It was reported the adsorption of As(III) on the surface of the chitosan-Fe-crosslinked complex. Theoretical correlation of the experimental equilibrium adsorption data for As(III)/Ch-Fe system is best explained by the non-linearized form Langmuir-Freundlich isotherm model. At optimum conditions, pH 9.0, the maximum adsorption capacity, calculated using the Langmuir-Freundlich isotherm model was 13.4 mg g⁻¹. The adsorption kinetics of As(III) onto Ch-Fe are described by the pseudo-first-order kinetic equation. The results of the Mössbauer spectroscopy showed that there is no redox process on the surface of the adsorbent.     

Photophysical and photochemical properties of the pharmaceutical compound salbutamol in aqueous solutions

Salbutamol is a potent β₂-adrenergic receptor agonist widely used in the treatment of bronchial asthma and chronic obstructive pulmonary disease. An increasing number of studies have detected salbutamol in natural water systems worldwide. Studies have shown that sunlight degrades salbutamol resulting in the formation of products; some showing higher toxicity to bacteria Vibrio fischeri than the parent compound. In this contribution, steady-state absorption and emission techniques, high-performance liquid chromatography, and transient absorption spectroscopy are used to investigate the photochemistry of salbutamol in aqueous buffer solutions at controlled pH values. Ground- and excited-state calculations that include solvent effects are performed to guide the interpretation of the experimental results. Salbutamol is sensitive to UVB light absorption in the pH range from 3 to 12, forming products that absorb light at longer wavelengths than the parent compound. Quantum yields of degradation reveal that the deprotonated species is 10-fold more photo-active than the protonated species. In line with this result, the fluorescence quantum yield of the protonated species is more than an order of magnitude higher than that of the deprotonated species. Transient absorption spectroscopy shows that population of the triplet state occurs with a rate constant of 7.1 × 10⁸ s⁻¹ in the protonated species, while a rate constant of 1.7 × 10¹⁰ s⁻¹ is measured for the deprotonated species. While degradation of the deprotonated species is not affected by the presence of molecular oxygen, a twofold increase in the photodegradation yield of the protonated species in air-saturated conditions is observed.     

采用水解酸化-复合好氧处理制药工业废水的工艺评价

以制药工业综合废水处理为例对其采用的两级水解酸化复合好氧工艺的处理效果进行评估。按常规指标进行评估,该工艺对于制药综合废水的处理效果达到了设计目的,COD去除率可达到78.2%以上,NH+4-N的去除率达到99.3%,出水质量基本满足"污水综合排放标准(GB8978-1996)"二级标准和"辽宁省污水综合排放标准(DB21.1627-2008)";急性毒性的检测表明,经过该工艺处理后出水为低毒性;三维荧光谱分析(EEM)表明,制药综合废水经生物处理后的可溶性有机物中仍然存在难降解物质,建议增加物化处理以提高处理效果;并且制药废水经处理后的出水中的盐度对排入的生态系统存在风险,建议纳入排放标准以加强管理。     

Water-soluble matter in PM2.5 in a coastal city over China: Chemical components, optical properties, and source analysis

Although marine and terrestrial emissions simultaneously affect the formation of atmospheric fine particles in coastal areas, knowledge on the optical properties and sources of water-soluble matter in these areas is still scarce. In this work, taking Qingdao, China as a typical coastal location, the chemical composition of PM_2.5 during winter 2019 was analyzed.Excitation-emission matrix fluorescence spectroscopy was combined with parallel factor analysis model to explain the component...     

Formation of Soluble Complexes of Metals with Humic Acid and Its Environmental Significance

In order to investigate the role of functional groups present in humic acid(s) (HA) during complex formation, water soluble complexes between HA isolated from soil and metals (Pb, Ca, As, Ni, Cr, Co, Cu, Cd, Fe, Mn, Mg and Zn) were prepared and subjected to infrared (IR) spectroscopy. the IR data revealed the involvement of the - OH group of humic acid in complex formation with all metals except copper and arsenic, whereas the - COOH group of HA was found to be the preferred site of binding for all the metals. the significance of findings in relation to detoxification of environmental pollutants is discussed in this paper.     

Estimation of Similarity in the Qualitative Composition of Humic Substance in Marine Sediments By Means of an Uv-Spectroscopic Library

In this paper a method for the study of the qualitative similarity of extractable humic substance (EHS) in marine sediments based on the realisation of UV spectral library of EHS is described. the spectral library was built including the digitised spectra of humic substance extracted from several marine sediments (46 samples) and two samples of standard materials (lignin sulphonate and humic substance) in a Statistica data file. the data matrix was elaborated by means of different multivariate statistic techniques such as Cluster Analysis (CA), Principal Components Analysis (PCA) and the univariate technique Spectral Correlation Analysis (SCA). This approach allows us to show the contribution of different organic compounds (aromatic, lipid and acid) to the composition of EHS and moreover it evidences also the structural characteristics of EHS in terms of similarities in the qualitative composition of samples such as presence of terrestrial and/or vegetal contributions. the UV library is an objective tool to study the qualitative composition of EHS and it represents a complementary approach to the most common methods based on the application of spectroscopic (IR, ¹³CNMR), potentiometric and chromatographic techniques.     

基于拉曼光谱的铅致肝细胞生物分子变化研究

利用拉曼光谱技术采集不同铅离子暴露时间(0.5,1.5,3,6,12,24h)、暴露浓度(0.05,0.1,0.5,1,5mg/L)下HepG2细胞的光谱数据,欲探究在不同铅暴露条件下肝细胞的分子变化及其相关机制.研究结果发现,在不同条件下各组细胞的光谱形态基本相同,但部分特征峰的吸光度强度存在差异.经多元统计分析发现,除6h外,同一暴露时间下不同暴露浓度细胞的光谱数据在LD1上均存在离散趋势,并在暴露24h时最明显.细胞内蛋白质、脂质、核酸、类胡萝卜素、碳水化合物等生物分子的特征峰表现出明显差异,但不同类型生物分子发生显著变化的时间并不相同.由此可见铅暴露可损伤肝细胞蛋白质、脂质、核酸、类胡萝卜素的结构并影响其正常功能,这种毒性效应呈剂量-效应关系,且随暴露时间的增加而增加.本研究说明拉曼光谱可以实现铅对肝细胞生物分子变化的相关检测,这不仅为之后的细胞毒理研究提供了新的思路,同时也为环境污染物的安全评价提供了理论依据.