Additional file 1 of Development and validation of a model and nomogram for breast cancer diagnosis based on quantitative analysis of serum disease-specific haptoglobin N-glycosylation

Additional file 1: Figure S1. Aggregation plots of missing values of clinical variables. The first plot shows the proportion of missing values in each variable. The second plot shows patterns of missing values. The frequencies of the corresponding combinations are demonstrated to the right. The blue bars represent missing values, while the orange bars represent observed values. Figure S2. Strip plots of observed and imputed data of clinicopathological variables. The strip plots display the distribution of imputed values (orange points) over observed values (blue points) in a combined way. In total, 5 multiple imputed data sets were created. Column 1 represents the original data set, while column 2-6 represent the 5 imputed data sets. The second imputed data set (column 3) was used. Most of its imputations were in a plausible range, and properly accounted for the distribution of the missing data. Figure S3. Histogram plots displaying propensity score distributions for the malignant and benign groups before and after propensity score matching (caliper = 0.333). Figure S4. Heatmap of the correlations of DSHp-β N-glycopeptides and tumor markers. The numbers in grid show the Spearman correlation coefficients. Blank indicates a Bonferroni correction p-value of ≥ 0.05. Table S1. Identified N-glycopeptides of DSHp-β, their potential structures, and intensities between benign breast diseases and breast cancer

DataSheet1_Profiling of amines in biological samples using polythioester-functionalized magnetic nanoprobe.docx

Introduction: The metabolic balance of amines is closely related to human health. It remains a great challenge to analyze amines with high-throughput and high-coverage.Methods: Polythioester-functionalized magnetic nanoprobes (PMPs) have been prepared under mild conditions and applied in chemoselective capture of amides. With the introduction of polythioester, PMPs demonstrate remarkably increased capture efficiency, leading to the dramatically improved sensitivity of mass spectrometry detection.Results: The analysis method with PMPs treatment has been applied in rapid detection of more than 100 amines in lung adenocarcinoma cell lines, mouse organ tissues, and 103 human serum samples with high-throughput and high-coverage. Statistical analysis shows that arginine biosynthesis differed between lung adenocarcinoma cell lines.Discussion: Phenylalanine, tyrosine and tryptophan biosynthesis differed between tissues. The combination indicators demonstrate a great diagnostic accuracy for distinguishing between health and lung disease subjects as well as differentiating the patients with benign lung disease and lung cancer. With powerful capture ability, low-cost preparation, and convenient separation, the PMPs demonstrate promising application in the intensive study of metabolic pathways and early diagnosis of disease.high-throughput and high-coverage. Here, polythioester-functionalized magnetic nanoprobes (PMPs) have been prepared under mild conditions and applied in chemoselective capture of amides. With the introduction of polythioester, PMPs demonstrate remarkably increased capture efficiency, leading to the dramatically improved sensitivity of mass spectrometry detection. The analysis method with PMPs treatment has been applied in rapid detection of more than 100 amines in lung adenocarcinoma cell lines, mouse organ tissues, and 103 human serum samples with high-throughput and high-coverage. Statistical analysis shows that arginine biosynthesis differed between lung adenocarcinoma cell lines. Phenylalanine, tyrosine and tryptophan biosynthesis differed between tissues. The combination indicators demonstrate a great diagnostic accuracy for distinguishing between health and lung disease subjects as well as differentiating the patients with benign lung disease and lung cancer. With powerful capture ability, low-cost preparation, and convenient separation, the PMPs demonstrate promising application in the intensive study of metabolic pathways and early diagnosis of disease.</p