Untargeted metabolic screening of preterm infants on a human milk diet

Aim. This dataset includes metabolic fingerprints of preterm infants exclusively receiving (≥ 80% of total intake) either donor human milk (DHM) provided by a Human Milk Bank (N=20) or own mother’s milk (OMM) (N=20) recorded using a LC-QTOFMS instrument from urine samples collected at one month of age. The dataset was used to assess nutrition-derived changes in preterm infants at the phenotype level in a non-invasive manner. Study population and urine collection. A prospective, observational cohort study was conducted including consecutively admitted preterm infants born at ≤32 weeks of gestation and/or birth weight ≤1500 g in the Division of Neonatology of the University and Polytechnic Hospital La Fe (Valencia, Spain). Two groups were recruited according to the main feeding type accounting for ≥80% v/v of the nutritional intake with either OMM or pasteurized DHM after achieving full enteral nutrition (150 mL/kg/day). Urine samples were collected from infants exclusively receiving DHM (N=20) or OMM (N=20) one month after birth using sterile cotton pads placed in the diaper. Cotton pads were retrieved after one hour and squeezed with a syringe. The process was repeated until a minimum volume of 1 mL was collected. Urine samples were stored at −80 ⁰C until analysis. Sample preparation. Urine samples were thawed on ice and thoroughly shaken on a Vortex® mixer during 10 s followed by centrifugation at 16 000 x g and 4 ⁰C during 10 min. 50 μL of supernatant were added to 50 μL of an internal standard (IS) solution containing reserpine, phenylalanine-D5, leucine-enkephalin, caffeine-D9, and methionine-D3 at 2 μM each in H2O:CH3CN (96:4, 0.1% HCOOH v/v) and transferred to a 96-well plate. A blank extract was prepared using water instead of urine and following the same procedure as described for urine samples. A pooled quality control (QC) sample was prepared by mixing 5 μL of each study sample.研究目的。本数据集涵盖采用液相色谱-四极杆飞行时间质谱（LC-QTOFMS）检测所得的早产儿代谢指纹图谱（metabolic fingerprints）：受试对象均为出生后1月龄时采集尿液样本，且摄入的营养中≥80%来自供体人乳（DHM，由人乳库提供，N=20）或产妇自身乳汁（OMM，N=20）。本数据集用于以无创方式从表型层面评估早产儿的营养相关代谢变化。 研究人群与尿液采集。本研究在西班牙巴伦西亚拉费大学理工医院新生儿科开展，为一项前瞻性观察队列研究，纳入对象为胎龄≤32周且/或出生体重≤1500 g的连续收治早产儿。在达到全肠内营养摄入标准（150 mL/kg/天）后，按照主要喂养类型（占营养摄入体积比≥80%）分为两组，分别摄入产妇自身乳汁（OMM）或巴氏消毒供体人乳（DHM），每组各纳入20例受试者。采集出生1月龄后的尿液样本：将无菌棉垫置于纸尿裤中，1小时后取出棉垫并用注射器挤压收集尿液，重复该操作直至收集到至少1 mL尿液。收集后的尿液样本保存于-80 ℃环境中，直至后续分析。 样本前处理。将尿液样本置于冰上解冻，随后在涡旋混匀器（Vortex®）上充分振荡10秒，再于4 ℃、16000 × g条件下离心10分钟。取50 μL上清液与50 μL内标（IS）溶液混合，该内标溶液含浓度均为2 μM的利血平、氘代苯丙氨酸-D5、亮氨酸脑啡肽、氘代咖啡因-D9及氘代蛋氨酸-D3，溶剂体系为H2O:CH3CN（96:4，含0.1%体积分数甲酸），随后将混合液转移至96孔板中。设置空白提取物对照组：以去离子水替代尿液样本，其余操作与尿液样本处理流程一致。混合质控（QC）样本则通过将每份研究样本各取5 μL混合制备得到。