Data for: Irreversible alterations in the hemoglobin structure affect oxygen binding in human packed red blood cells

BGA - Blood gas results obtained weekly for pRBCs during 8 weeks of storage for N=10.

IR results for donor A, B and C - These data include second derivatives spectra of pRBCs samples. The raw spectra were preprocessed by ATR-correction, second derivatve spectra calculation with Savitzky-Golay smoothing and normalization.

Biochemical analysis - File with the data from the biochemical analysis - glucose and lactate concentrations. Each measurement was repeated twice for each sample measured weekly during 8 weeks.

Fig 5 UVVis raw spectra: is set of a UVVis absorption spectra which represents rate of reoxygenation of pRBCs stored for 1 and 5 weeks treated with subsequent doses of sodium dithionite. In each group N was equal to 3.

Fig 2 UVVis raw spectra: comprises a set of UVVis absorption spectra obtained for pRBCs stored for 2, 4, 6 and 8 weeks. In each group N was equal to 3.

Fig 3 RS spectra: represents a set of Raman spectra obtained for pRBCs stored for 2, 4, 6 and 8 weeks with 488 nm excitation wavelength. In each group N was equal to 3, each sample was measured in 10 randomly chosen spots, each spectrum was accumulated 10 times.

LC-MS/MS data - Detection of intracellular metabolites was performed as defined in manuscript. Briefly, an aliquot of 50 μL of pRBCs was centrifuged (500xg, 10 min, RT, no braking) and divided into two fractions – pure fraction of RBCs (marked as RBC in excel file) and SAGM solution supernatant (marked as KON in excel file).

BGA - 每周对pRBCs进行血气分析，持续8周存储，样本数量为N=10。

供体A、B和C的IR结果 - 这些数据包括pRBCs样本的二阶导数光谱。原始光谱经过ATR校正、使用Savitzky-Golay平滑和归一化计算二阶导数光谱。

生化分析 - 包含生化分析数据的文件 - 葡萄糖和乳酸浓度。每个样本每周进行两次测量，持续8周。

图5 UVVis原始光谱：为一组代表储存1周和5周的pRBCs在后续剂量亚硫酸钠处理下的再氧合速率的UVVis吸收光谱。每组样本数量N均为3。

图2 UVVis原始光谱：包含一组针对储存2周、4周、6周和8周的pRBCs获得的UVVis吸收光谱。每组样本数量N均为3。

图3 RS光谱：代表一组使用488 nm激发波长获得的储存2周、4周、6周和8周的pRBCs的拉曼光谱。每组样本数量N均为3，每个样本在10个随机选取的点上进行测量，每个光谱累积10次。

LC-MS/MS数据 - 如文中所定义，对细胞内代谢物进行检测。简而言之，取50 μL的pRBCs样本，以500xg的转速离心（10分钟，室温，无制动）后，分为两部分——纯RBCs部分（在Excel文件中标记为RBC）和SAGM溶液的上清液（在Excel文件中标记为KON）。