Data for : Transplacental Transfer of Organochlorine Pesticides: Concentration Ratio and Chiral Properties

The raw data reported here was used in the DIB dataset. Matched maternal serum, cord serum and placenta samples from 79 volunteer mothers and their infants were collected between November 2015 and March 2016 in Wuhan, China. Informed consent was given by all participants to collect the physical and sociodemographic data. For Pretreatment of the samples, An aliquot of sample (2 mL for serum samples, ~5 g for lyophilized placenta) was spiked with TCMX as internal standards (50 ng, IS). 0.5 mL of formic acid, 2.5 mL of ethanol and 10 mL of n-hexane/DCM (1:1, v/v) was then added in for the extraction. The mixture was thoroughly mixed, ultrasonic extracted for ten minutes, followed by centrifugation separation at 2000 rpm for ten minutes. The organic phase was then collected; the ultrasonic extraction procedure was repeated three times. The extract was evaporated under vacuum to ~1 mL, then cleaned up by column chromatography with pre-activated silica gel and Na2SO4. Targeted compounds were collected using another portion of 70 mL of n-hexane/DCM (1:1, v/v) elution. The elution was evaporated to near dryness in a GC sample bottle, then reconstituted in 50 μL of n-nonane. Total lipids (TL) in the serum was calculated: TL (g/l) = 1.12 × CHOL + 1.33 × TG + 1.48. The lipid weight of the placenta was determined gravimetrically. Organochlorine pesticides (OCPs) concentrations were then measured in the samples using GC-MS/MS. Enantiomeric fractions were also determined for chiral OCPs in the samples using GC-NCI-MS. Information about the recovery, MDL and MQL for the analytes in the serum and placenta samples were provided in Data File 1. For this spreadsheet, each line is a recovery calculated using standard spike blank matrix samples before/after extraction. For each type of blank matrix, at least 8 samples were run. The three spiking concentration were set at 20 ng/mL, 5 ng/mL and 0.5ng/mL. For TCMX, working as the internal standard in our study, only 20 ng/mL was selected. Results of the wet-weight basis concentration of OCPs in samples were provided in Data file 2. For this spreadsheet, each line is one mother-infant pair, and each column is the wet-weight basis concentration (in ng/mL) for placenta, cord serum and maternal serum samples. Personal information of the volunteers were replaced by a number in this spreadsheet to protect their privacy. Box-plots with dots representing the lipid adjusted concentration ratio of DDX metabolites (DDD+DDE) vs. the DDT parent compounds, and β-HCH vs. (α+γ)-HCH were provided in Data File 3. For this spreadsheet, each line is one mother-infant pair, and each column is the lipid-weight concentration ratio of β-HCH/(α+γ)-HCH and (DDD+DDE)/DDT for placenta, cord serum and maternal serum samples. Personal information of the volunteers were replaced by a number in this spreadsheet to protect their privacy.本研究报道的原始数据已应用于DIB数据集。2015年11月至2016年3月期间，在中国武汉收集了79名志愿母亲及其婴儿的配对母体血清、脐带血清和胎盘样本。所有受试者均签署知情同意书，允许收集其身体状况及社会人口学相关数据。 样品前处理过程中，移取等分试样：血清样本取2 mL，冻干胎盘样本取约5 g，加入50 ng的TCMX作为内标（internal standard, IS）。随后依次加入0.5 mL甲酸、2.5 mL乙醇及10 mL正己烷/二氯甲烷（dichloromethane, DCM，体积比1:1）混合液用于萃取。将混合体系充分振摇后，超声萃取10分钟，随后以2000转每分钟的转速离心分离10分钟。收集有机相后，重复上述超声萃取步骤共计3次。将萃取液经真空浓缩至约1 mL，随后通过预活化硅胶与硫酸钠（Na₂SO₄）填充的柱色谱进行净化。再使用70 mL正己烷/二氯甲烷（体积比1:1）混合洗脱液对目标化合物进行洗脱收集。将洗脱液置于气相色谱（GC）样品瓶中浓缩至近干，随后用50 μL正壬烷进行复溶。 血清总脂质（total lipids, TL）的计算公式为：TL（g/L）= 1.12×胆固醇（cholesterol, CHOL） + 1.33×甘油三酯（triglyceride, TG） + 1.48。胎盘的脂质重量采用重量法进行测定。随后采用气相色谱-串联质谱（gas chromatography-tandem mass spectrometry, GC-MS/MS）测定样本中的有机氯农药（organochlorine pesticides, OCPs）浓度。同时采用气相色谱-负化学电离质谱（gas chromatography-negative chemical ionization mass spectrometry, GC-NCI-MS）测定样本中手性OCPs的对映体分数。 血清与胎盘样本中分析物的回收率、方法检出限（method detection limit, MDL）及方法定量限（method quantitation limit, MQL）的相关信息已在数据文件1中提供。该电子表格中，每一行对应一次采用萃取前后的标准加样空白基质样本计算得到的回收率结果；每一类空白基质至少运行8个样本；加标浓度设置为20 ng/mL、5 ng/mL和0.5 ng/mL三种；对于本研究中作为内标的TCMX，仅选取了20 ng/mL一个加标浓度。 样本中OCPs的湿重浓度结果已在数据文件2中提供。该电子表格中，每一行对应一组母婴对，每一列分别对应胎盘、脐带血清及母体血清样本的湿重浓度（单位：ng/mL）。为保护志愿者隐私，该电子表格中已将志愿者的个人信息替换为编号。 数据文件3中提供了箱线图，图中圆点代表经脂质校正后的DDX代谢物（DDD+DDE）与DDT母体化合物的浓度比值，以及β-六氯环己烷（β-hexachlorocyclohexane, β-HCH）与(α+γ)-六氯环己烷（(α+γ)-HCH）的浓度比值。该电子表格中，每一行对应一组母婴对，每一列分别对应胎盘、脐带血清及母体血清样本中β-HCH/(α+γ)-HCH与(DDD+DDE)/DDT的脂质校正浓度比值。为保护志愿者隐私，该电子表格中已将志愿者的个人信息替换为编号。