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，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、脐带血清与胎盘样本。所有参与者均签署知情同意书，授权收集其身体状况及社会人口统计学相关数据。 样本前处理步骤如下：取样本等分试样（血清样本取2 mL，冻干胎盘样本取约5 g），加入TCMX作为内标物（IS，50 ng）。随后依次加入0.5 mL甲酸、2.5 mL乙醇与10 mL正己烷/二氯甲烷（1:1，体积比）进行萃取。将混合体系充分混匀后，超声萃取10分钟，再以2000 rpm转速离心10分钟完成分离，收集有机相；重复超声萃取步骤3次。将萃取液真空蒸发至约1 mL，随后通过预活化硅胶与硫酸钠填充的柱色谱进行净化。再用70 mL正己烷/二氯甲烷（1:1，体积比）洗脱，收集目标化合物。将洗脱液置于气相色谱（GC）样品瓶中蒸发至近干，随后用50 μL正壬烷复溶。血清中的总脂质（TL）通过以下公式计算：TL（g/L）= 1.12×胆固醇（CHOL） + 1.33×甘油三酯（TG） + 1.48。胎盘的脂质重量采用重量法测定。 随后采用气相色谱-串联质谱（GC-MS/MS）测定样本中的有机氯农药（OCPs）浓度；对于样本中的手性有机氯农药，还通过气相色谱-负化学电离质谱（GC-NCI-MS）测定了其对映体分数。 血清与胎盘样本中分析物的回收率、方法检出限（MDL）及方法定量限（MQL）相关信息已在数据文件1中提供。该表格每一行对应一个通过萃取前后的加标空白基质样本计算得到的回收率。每一类空白基质至少运行8个样本。设置的三个加标浓度分别为20 ng/mL、5 ng/mL与0.5 ng/mL；本研究中作为内标物的TCMX仅选用20 ng/mL这一浓度。 样本中有机氯农药的湿重基准浓度结果已在数据文件2中提供。该表格每一行对应一组母婴对，每一列分别代表胎盘、脐带血清与母体血清样本的湿重基准浓度（单位：ng/mL）。为保护志愿者隐私，表格中已将其个人信息替换为编号。 数据文件3中提供了带散点的箱线图，其中散点分别代表DDX代谢物（DDD+DDE）与DDT母体化合物的脂质校正浓度比，以及β-六氯环己烷（β-HCH）与(α+γ)-六氯环己烷的脂质校正浓度比。该表格每一行对应一组母婴对，每一列分别代表胎盘、脐带血清与母体血清样本的β-HCH/(α+γ)-HCH与(DDD+DDE)/DDT脂质重量浓度比。为保护志愿者隐私，表格中已将其个人信息替换为编号。