Methodology for predicting OEL from rodent LD50 values for metals and metallic compounds

The relationship between the occupational exposure limits (OEL) and the lethal dose 50 (LD50) values of rats or mice for metals and metallic compounds was statistically analyzed by a stepwise multivariate regression method. The OEL values were predicted from LD50 values and metallic compensation coefficients (MCC), which were developed as the regression coefficients of dummy variables that represented the metallic element contained in the substance of interest. The value of the MCC indicated the extent of the adverse health effects of the metal in the substance. Smaller values of the MCC were assigned to metals that would have the more severe adverse health effects, such as carcinogenesis, while larger values were given to the less toxic metals. The Health Index (HI) based on the OEL values was proposed as a convenient measure of the toxicity of industrial products. The prediction method could be applied to toxicity risk assessments by using the HI when a designer of consumer products wants to use substances for which OEL values have not been determined. Two case studies were conducted to estimate the potential toxicity of materials used in solders and in rechargeable batteries.     

T-2毒素对不同生长期对虾的急性毒性及其分析方法的比较研究

比较T-2毒素对不同生长期凡纳滨对虾(Litopenaeus vannamei)的急性毒性及其分析方法,明确对虾作为T-2毒素毒性评价的生物标记物的最佳时期,建立T-2毒素对对虾的急性毒性互补评价方法。通过对不同生长期凡纳滨对虾的急性毒性试验,采用寇氏法和概率单位法,计算得到T-2毒素对不同生长期凡纳滨对虾的LD50,并通过u检验对两种方法求得的LD50值进行分析比较。结果得到T-2毒素对虾卵、幼虾和成虾的LD50值分别为2.33、1.79和3.34 mg/kg·bw,且经检验两种方法求得的LD50并无显著性差异。研究表明,T-2毒素对成虾的毒害作用最小急性毒性最弱,对幼虾的毒害作用最大急性毒性最强,即该生长期的凡纳滨对虾更适宜做评价T-2毒素急性毒性的生物标志物,同时采用寇氏法和概率单位法相结合的方法得到的LD50值更具准确。     

Validation of a new in vitro Sun Protection Factor method to include a wide range of sunscreen product emulsion types

In 2017, Cosmetics Europe performed a double-blinded ring test of 24 emulsion-type sunscreen products, across 3 in vivo test laboratories and 3 in vitro test laboratories, using a new candidate in vitro SPF test method. Based on the results of this work, an article was published showing how data derived from a new lead candidate method conform to new International Standards (ISO) acceptance criteria for alternative SPF test methods (Any alternative method should consider the matrix effect and if required, specify the matrix applicability of the method; Criterion 1a: Systematic differences between methods should be negligible: 95% of all individual results of an alternative method are within the range of ±2× reproducibility standard deviation of the in vivo method, that is overall bias must be below 0.5× reproducibility standard deviation of the in vivo method; Criterion 1b: Measurement uncertainty of an alternative method should be below the measurement uncertainty of the in vivo method. Candidate method predicted values must fall within the full ‘funnel’ (SPF 6-50+) limits proposed by Cosmetics Europe (derived from the same minimum test design, that is using the ISO24444 Method to measure at least 24 products across at least 3 laboratories using at least 5 test subjects/laboratory, in a blinded fashion).). Of the 24 sunscreen products tested, the majority of emulsions were of the oil-in-water (O/W) type, whereas only one was water-in-oil (W/O) and there were no products with a mineral-only sun filter system. In order to confirm the scope of this method, therefore, a new study was conducted that included 73 W/O (12 mineral + organic, 44 mineral only and 17 organic only) and 3 O/W mineral-only, emulsion-type sunscreen products (a total of 76 new sunscreen products). When combined with the previous 24 products (tested in 3 different laboratories), this yielded a new data set comprising a total of 100 emulsion-type sunscreen products, with SPF values ranging from 6 to 50+ (with a total of 148 data points). These products were tested using the double-plate in vitro SPF test method and compared with the ISO TC217/WG7 acceptance criteria for alternative SPF test methods. Over 95% of paired in vitro: in vivo SPF values lay within the upper and lower limits of the ISO acceptance criteria funnel, with no bias. This new in vitro SPF test method, therefore, meets the minimum requirements for an alternative SPF test method to ISO24444:2010, for emulsion-type sunscreen products (which make up the majority of marketed sunscreen products).     

累积风险评估方法在典型人群饮料中铅和镉联合暴露评估中的应用

目的利用典型人群饮料中铅和镉的暴露数据,研究不同累积风险评估方法在评价化学物质联合暴露风险中的应用。方法以中学生、大学生和白领人群为对象,利用饮料中铅和镉的专项监测数据和3类人群饮料消费量数据计算暴露量;检索科学文献获得2种重金属污染物的毒理学数据和健康指导值等参数,假定饮料中重金属污染物的风险控制水平低于健康指导值的5%。基于分级评估原则,分别采用危害指数(HI)法、靶器官毒性剂量(TTD)法和证据权重(WOE)法3种累积风险评估方法,评估饮料中铅和镉联合暴露的健康风险,并与2种污染物的单独暴露风险进行比较。结果以健康指导值的5%比较,中学生通过饮料的铅暴露超过该值。HI法评估结果发现,白领人群饮料消费者的HI值小于1,中学生和大学生饮料消费者的HI值大于1。基于各效应终点的TTD法评估结果发现,铅和镉联合暴露对3类人群的肾脏效应的HI值均大于1,对心血管系统和神经系统,仅中学生人群HI值大于等于1;对于其他作用终点,3类人群的HI值均小于1。WOE法评估结果发现,铅和镉联合暴露仅对中学生的心血管系统和神经系统的交互作用校正后的HI值大于1。结论不同累积风险评估方法可用于评估食品中不同化学物质联合暴露的累积风险,可根据支持数据的充分性和管理需要,采用分级评估原则选择合适的累积风险评估方法。     

Soil ecotoxicity of polycyclic aromatic hydrocarbons in relation to soil sorption,lipophilicity, and water solubility

A data set was generated aiming to predict the toxicity of PAHs to soil organisms. Toxicity data include the effects of 16 PAHs on the survival and reproduction of the soil-dwelling springtail Folsomia fimetaria. The results show that only PAHs with reported log Kow values < or = 5.2 (i.e., naphthalene, acenaphthene, acenaphthylene, anthracene, phenanthrene, fluorene, pyrene, and fluoranthene) significantly affected the survival or reproduction of the test organisms. Threshold values for the toxicity of the individual PAHs could be expressed as pore-water concentrations by the use of reported organic carbon-normalized soil-pore-water partitioning coefficients (Koc values). For the PAHs with a log Kow < or = 5.2, toxicity significantly increased with increasing lipophilicity of the substances (r2 = 0.67; p = 0.012; n = 8), suggesting a narcotic mode of toxic action for most substances. However, the position of anthracene in the regression plot indicated a more specific mode of toxic action than narcosis, and removing this data point yielded the following regression equation: log EC10 (micromol/L) = -0.97 log Kow + 4.0 (r2 = 0.80; p = 0.006; n = 7). Using this quantitative structure-activity relationship (QSAR) to calculate threshold values for the toxicity of the remaining nontoxic substances (benz[a]anthracene, chrysene, benzo[b]fluoranthene, benzo[k]fluoranthene, dibenz[a,h]anthracene, benzo[a]pyrene, perylene, and indeno[1,2,3-cd]pyrene), the absence of toxicity could, in most cases, be explained by a limited water solubility, indicating that these substances do act by narcosis as the mode of toxic action and that their toxicity is governed by concentrations in the pore-water. The results provide important input to future model predictions of the ecological risk posed by PAH contaminated sites.     

一株产细菌素乳杆菌的鉴定及其细菌素编码基因的获得

应用双层平板打孔法,从自制樱桃酒里分离的乳杆菌中筛选到一株对革兰氏阳性细菌和革兰氏阴性细菌均有明显抑制作用的菌株,命名为LD 1.0008。通过API 50 CHL糖发酵产酸实验、16S rDNA基因序列分析及其特异性recA基因多重聚合酶链式反应（polymerase chain reaction,PCR）,鉴定LD 1.0008为植物乳杆菌。排除有机酸的干扰,用多种蛋白酶处理后,其抑菌活性均有明显降低,而用过氧化氢酶处理后其抑菌活性基本不变,从而确定LD 1.0008所产生的抑菌物质为细菌素。使用已报道的10 对植物乳杆菌细菌素基因片段设计的引物对菌株LD 1.0008进行PCR扩增,发现其至少含有4 个植物乳杆菌素相关编码基因,即plnD、plnO、plnV和plnW。     

富硒农产品中有机硒的分离与测定

目的建立富硒农产品中总有机硒的分离与测定方法。方法通过粉碎、均质、离心及环已烷萃取将富硒农产品中的有机硒与无机硒分离,分离后的试样经消解、赶酸后在最隹仪器条件下用原子荧光光谱法测定总硒和无机硒,差减法计算出总有机硒的含量。结果均质离心分离后,环已烷对水溶性有机硒的萃取率为96%,测定方法回收率为86.68%～113.48%,检出限为0.02 ng/mL,相对标准偏差(relative standard deviation,RSD)为5.14%。结论方法操作简单、无需有机硒标准品、检测周期短、样品普适性强,适用于初级农产品、加工农产品、保健品、发酵产品等4类富硒农产品的中总有机硒的测定。     

Reflections on the use of robust and least-squares non-linear regression to model challenge tests conducted in/on food products

In this research, we question the straight-forward use of the classical sum of squared error criterion for identifying the typical parameters of a primary model (like growth rate mumax and lag time lambda) when applied to growth curves obtained in and on food products. Firstly, we base our reflections on 62 Listeria monocytogenes laboratory challenge tests collected in various environments (broth, crushed cold-smoked salmon, and surface of cold-smoked salmon slices). Whereas growth data in broth resulted in residual values consistent with a Gaussian distribution, growth data in the crushed product and even more on the surface of slices appeared different. Secondly, we propose the use of an alternative so-called robust non-linear regression method suitable when experimental error is non-normally distributed, which seems, according to this research, typical for microbial challenge tests in/on food products, and which lead to apparent outliers or leverage points in the experimental data. Properties of the robust regression procedure are illustrated on simulated data first, whereafter its use on the considered challenge tests is illustrated. To conclude, reflections on the assumptions and related realism underlying challenge tests and recommendations for fitting growth curves obtained in and on food products are presented.     

Improved discrimination of soft and hard white wheat using SKCS and imaging parameters

Natural variation of hardness of wheat kernels often results in overlapping hardness indices (HI) distributions between hard and soft classes as measured with the single kernel characterization system (SKCS). This is particularly true for the case of the hard white (HW) and soft white (SW) wheat classes. To address this problem, a color camera was incorporated into the SKCS system so that color and kernel size data could be combined with SKCS measurements for classification purposes. Samples of hard red (HR), soft red (SR), HW, and SW wheat were classified using the SKCS system with and without the camera and results compared. Using the camera system, errors for separating HW from SW classes were reduced to less than 5%, as compared to 17.1% using SKCS alone. Furthermore, improved data processing applied to the low-level data currently produced by the SKCS system led to greater than 50% reduction in classification errors between SW and HR as compared to using HI data alone. Similar improvements in classification accuracies for 300-kernel sample containing mixtures of SW and HW were also achieved. The 300 kernel sample classification is usually what inspectors and grain traders use to determine sample purity rather than individual kernel results. The techniques developed should aid grain inspectors in properly identifying mixtures of these two classes. Unfortunately, for the SR and HR classes, incorporating the camera data decreased classification accuracy while increasing the complexity of the system. However, SR and HR classes can be adequately distinguished with the SKCS in its current form. Mention of trade names or commercial products in this publication is solely for the purpose of providing specific information and does not imply recommendation or endorsement by the U.S. Department of Agriculture.     

Assets of imputation to ultra-high density for productive and functional traits

The aim of this study was to evaluate different-density genotyping panels for genotype imputation and genomic prediction. Genotypes from customized Golden Gate Bovine3K BeadChip [LD3K; low-density (LD) 3,000-marker (3K); Illumina Inc., San Diego, CA] and BovineLD BeadChip [LD6K; 6,000-marker (6K); Illumina Inc.] panels were imputed to the BovineSNP50v2 BeadChip [50K; 50,000-marker; Illumina Inc.]. In addition, LD3K, LD6K, and 50K genotypes were imputed to a BovineHD BeadChip [HD; high-density 800,000-marker (800K) panel], and with predictive ability evaluated and compared subsequently. Comparisons of prediction accuracy were carried out using Random boosting and genomic BLUP. Four traits under selection in the Spanish Holstein population were used: milk yield, fat percentage (FP), somatic cell count, and days open (DO). Training sets at 50K density for imputation and prediction included 1,632 genotypes. Testing sets for imputation from LD to 50K contained 834 genotypes and testing sets for genomic evaluation included 383 bulls. The reference population genotyped at HD included 192 bulls. Imputation using BEAGLE software (http://faculty.washington.edu/browning/beagle/beagle.html) was effective for reconstruction of dense 50K and HD genotypes, even when a small reference population was used, with 98.3% of SNP correctly imputed. Random boosting outperformed genomic BLUP in terms of prediction reliability, mean squared error, and selection effectiveness of top animals in the case of FP. For other traits, however, no clear differences existed between methods. No differences were found between imputed LD and 50K genotypes, whereas evaluation of genotypes imputed to HD was on average across data set, method, and trait, 4% more accurate than 50K prediction, and showed smaller (2%) mean squared error of predictions. Similar bias in regression coefficients was found across data sets but regressions were 0.32 units closer to unity for DO when genotypes were imputed to HD density. Imputation to HD genotypes might produce higher stability in the genomic proofs of young candidates. Regarding selection effectiveness of top animals, more (2%) top bulls were classified correctly with imputed LD6K genotypes than with LD3K. When the original 50K genotypes were used, correct classification of top bulls increased by 1%, and when those genotypes were imputed to HD, 3% more top bulls were detected. Selection effectiveness could be slightly enhanced for certain traits such as FP, somatic cell count, or DO when genotypes are imputed to HD. Genetic evaluation units may consider a trait-dependent strategy in terms of method and genotype density for use in the genome-enhanced evaluations.     

The application of near infrared spectroscopy technology and a remote reflectance fibre-optic probe for the determination of peptides in cheeses (cow’s,ewe’s and goat’s) with different ripening times

The use of near infrared spectroscopy (NIRS) technology employing a remote reflectance fibre-optic probe (with a 5 cm × 5 cm quartz window) for the analysis of the hydrophilic (HI) and hydrophobic (HO) peptides and the ratio HO/HI was assayed. To do so, cheeses with known and varying percentages of cow’s, ewe’s and goat’s milk were elaborated (112 samples). Ripening controls were performed over 6 months, and the chemical data obtained by reversed-phase high performance liquid chromatography used as reference. The regression method employed was modified partial least squares (MPLS). The multiple correlation coefficients (RSQ) and prediction corrected standard errors (SEP (C)) obtained 0.879 and 1.83% for hydrophilic (HI) and 0.879 and 1.83% for hydrophobic (HO) peptides, respectively, and 0.890 and 0.03% for the ratio HO/HI. The method allows immediate control by direct application of the fibre-optic probe to the cheese without prior sample treatment or destruction.     

风味发酵乳中香精关注成分的筛选及暴露风险评估

采用正己烷萃取-气相色谱-质谱及保留指数定性的方法,定性分析12 个品牌的75 个香精样品组成成分。结果表明：共检测、鉴定148 个成分,结合半致死量、检出率、相对含量,筛选19 个香精关注成分;建立并优化顶空-固相微萃取-气相色谱-串联质谱（多反应监测模式）的定量分析方法,方法学验证具有良好的精密度和回收率。采用该方法对110 个市售风味发酵乳样品所含19 个关注成分进行定量分析,检测到2,3-丁二酮、苯甲醛、麦芽酚、乙基麦芽酚、香兰素等检出率和平均含量较高的成分;结合定量分析结果和我国乳制品消费情况,进行基于毒理学关注阈值方法的暴露评估的结果表明,乙基麦芽酚在所有消费人群中均有超出毒理学阈值的情况出现,因此其对所有年龄段人口均有暴露风险。相对于其他人群,1～3 岁儿童对多数香精成分的暴露风险显著高于其他人群,值得进一步研究。     

Application of multiple linear regression to analysis of data from factory energy surveys

When energy surveys are carried out in factories, the usual method is to install expensive metering equipment and to measure energy flows to various parts of the plant. The costs involved in conducting surveys by this method are often prohibitively high. This paper describes an alternative survey method which is simple and inexpensive to use. An estimate of energy use for each product is obtained by the use of multiple linear regression to relate total energy consumption data from existing meters to production of the various products. The accuracy of the estimates depends on the form of the data set collected, but in most factories accurate values can be obtained for the major products. In all seventy-three factories where the technique was applied, it led to a useful analysis of total energy consumption. A summary of data collected in the New Zealand food manufacturing industry by application of the method is presented.     

Are reductions in industrial organic contaminants emissions in rich countries achieved partly by export of toxic wastes?

Recent studies show that PCB (polychlorinated biphenyl) air concentrations remain surprisingly high in parts of Africa and Asia. These are regions where PCBs were never extensively used, but which are implicated as recipients of obsolete products and wastes containing PCBs and other industrial organic contaminants, such as halogenated flame retardants (HFRs). We hypothesize that there may be different trends in emissions across the globe, whereby emissions of some industrial organic contaminants may be decreasing faster in former use regions (due to emission reductions combined with uncontrolled export), at the expense of regions receiving these substances as obsolete products and wastes. We conclude that the potential for detrimental effects on the environment and human health due to long-range transport by air, water, or wastes should be of equal concern when managing and regulating industrial organic contaminants. This calls for a better integration of life-cycle approaches in the management and regulation of industrial organic contaminants in order to protect environmental and human health on a global scale. Yet, little remains known about the amounts of industrial organic contaminants exported outside former use regions as different types of wastes because of the often illicit nature of these operations.     

Use of Standing Gold Nanorods for Detection of Malachite Green and Crystal Violet in Fish by SERS

With growing consumption of aquaculture products, there is increasing demand on rapid and sensitive techniques that can detect prohibited substances in the seafood products. This study aimed to develop a novel surface‐enhanced Raman spectroscopy (SERS) method coupled with simplified extraction protocol and novel gold nanorod (AuNR) substrates to detect banned aquaculture substances (malachite green [MG] and crystal violet [CV]) and their mixture (1:1) in aqueous solution and fish samples. Multivariate statistical tools such as principal component analysis (PCA) and partial least squares regression (PLSR) were used in data analysis. PCA results demonstrate that SERS can distinguish MG, CV and their mixture (1:1) in aqueous solution and in fish samples. The detection limit of SERS coupled with standing AuNR substrates is 1 ppb for both MG and CV in fish samples. A good linear relationship between the actual concentration and predicted concentration of analytes based on PLSR models with R² values from 0.87 to 0.99 were obtained, indicating satisfactory quantification results of this method. These results demonstrate that the SERS method coupled with AuNR substrates can be used for rapid and accurate detection of MG and CV in fish samples.     

In situ trace metal speciation in lake surface waters using DGT,dialysis, and filtration

In situ measurements of Fe and Mn by dialysis and diffusive gradients in thin-films (DGT) in 5 lakes (pH 4.7-7.5, ionic strength 0.3-5 mmol l(-1)) and Cu and Zn in an acidic and circumneutral lake were compared to results from on site filtration. For the most acidic lake (pH 4.7) all measurements agreed, indicating an absence of colloids and negligible complexation by organic matter. There was little difference in the Mn concentrations measured by the three techniques for any lake, consistent with it being free from complexation. Zn measured by dialysis in circumneutral water was only slightly higher than DGT measurements, appropriate to only partial complexation. Substantial differences between dialysis and DGT for Cu were consistent with complexation by fulvic and humic substances, though not to the extent predicted by the speciation code WHAM. To achieve a good fit it was necessary to adjust the pK for Cu-fulvic binding from 0.8 to 1.3 and to assume that fulvic substances dominated. The presence of low molecular weight strong binding ligands would also be consistent with the data. Differences between the three measurement methods were greatest for Fe, attributable to the presence of large oxyhydroxide colloids, organic complexation and low molecular weight, reactive hydrolysis products. Fe and Mn concentrations measured by DGT on samples returned to the laboratory were much lower than in situ concentrations, illustrating the need for in situ measurements. While use of two in situ techniques provided useful information on the speciation of these natural waters, further refinements are required for unambiguous characterization of the solution. The use of DGT with a more restricted gel that excludes complexes with humic substances should provide complementary information to in situ dialysis.     

Status quo on identified transformation products of organic ultraviolet filters and their persistence

Organic micropollutants of concern—including organic UV filters (UVF)—are getting increasing attention. Personal care products such as sunscreens or cosmetic articles often contain large quantities of UVF. These substances enter the environment either directly (during outdoor activities) or indirectly (via sewages from households). Therefore, the removal or degradation of UVF by natural or technical treatment processes is important to understand. UVF are often incompletely removed and transformed to side products of incomplete mineralization by abiotic and biotic processes. An extensive overview on transformation products (TPs) is essential to systematically identify knowledge gaps and to derive research needs. While there are many reviews on the UVF themselves, the number of reviews which focus on their TPs is limited. Consequently, this review gives an overview on the latest findings regarding TPs of UVF. In this publication, known TPs of UVF, which were formed during abiotic and biotic processes, are reviewed. Target substances were defined and a literature database was reviewed for studies on TPs of the target substances. The first list of studies was shortened stepwise, thus generating a final list of studies which contained only the relevant studies. Since biodegradation is one of the most important pathways for removal of organic compounds from the environment, this review presents an overview on known TPs of organic UVF and their biodegradability, which determines their environmental fate. In this way, all identified TPs of UVF were listed and checked for information on their biodegradability. A total of 2731 records of studies were assessed. Forty-two studies, which assessed 46 processes that lead to the formation of identified TPs, were included in this review. One hundred and seventyseven different TPs resulting from 11 different UVF were identified. Little to no data on the biodegradability was found for TPs. This indicates a severe lack of data on the biodegradability of TPs of organic UVF substances. Since most TPs lack information on biodegradability, further research should provide information on both—identity and biodegradability—of formed TPs to be able to assess their hazardousness for the environment.     

Assay in mice for low levels of Clostridium botulinum toxin

When botulinum toxin at a low level such as 0.1 to 1.0 mouse intraperitoneal LD50 was injected subcutaneously into a mouse at the inguinocrual region, abdominal ptosis with local palsy developed. If this symptom is taken as a marker, 1.0 mouse intraperitoneal LD50 can be detected within 6 h and 0.1 LD50 within 24 h. The severity of symptoms and the time-to-death in days after injection of toxin were converted into scores to quantify the toxic activity. Over a wide range of dose, between 0.075 and 38.4 mouse intraperitoneal LD50, a linear relationship was obtained between the log dose and the score. By use of this method, low levels of toxin such as 0.1 mouse intraperitoneal LD50 can be titrated accurately and easily.     

Statistical results and implications of the enchytraeid reproduction ringtest

An international ringtest of the enchytraeid reproduction test (ERT) was performed by 29 laboratories, with two substances (carbendazim and 4-nitrophenol) and two test designs (NOEC and ECx). Although many participants had no previous experience in enchytraeid ecotoxicology, the majority of tests were performed accurately and fulfilled the validity criteria, demonstrating method feasibility. However, variability in control reproduction was fairly high and exceeded the proposed validity criterion of a 50% coefficient of variation in 24% of the tests. Variability may be lowered with increasing experience and by using better defined animals, either through synchronized culture or by weighing animals before the test. In all tests, NOECs were higher than the EC10 values, sometimes by more than 1 order of magnitude and usually closer to the EC50. This shows that NOECs, due to their dependence on test design and variability, are an unsatisfactory measure of "no toxicity" for regulatory purposes. Preferably, differences to the control at NOEC concentrations should always be given. To achieve appropriate power and to avoid frequent false negatives, in the ERT, high numbers of replicates would be necessary. We favor using regression approaches with means of replicates whenever possible.     

A method of assessing actual nutrition of organized collectives based on mathematical modelling

Subjects completely adapted to a complex of factors of their working and natural environment, besides a stable emotional sphere and physical working capacity, develop a certain stereotype of food consumption, that objectively determines relatively constant levels of this or that component in the ration they receive. The authors have developed a method of mathematical modelling of the expected consumption of food substances basing on the calculation of the ration chemical composition according to the menu, and on the further comparing with the level of actual nutrient consumption. A step-by-step regression analysis has enabled the authors to detect significant (by F-criterion) groups of daily ration food products for actual nutrient consumption, and to present the regression models for calculation the expected consumption of mineral substances in daily rations with the use of regression equation.