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DOI 10.3390/life16050780

Медицинская библиотека · Life (Basel, Switzerland) · 2026

Pre-Transplant Serum FTIRS Signatures as Predictive Biomarkers of Early Transient Pancreatic Graft Dysfunction in Simultaneous Pancreas-Kidney Transplantation.

Vigia Emanuel, Ramalhete Luís, Araújo Rúben, Corado Sofia, Barros Inês, Chumbinho Beatriz, Nobre Ana, Carrelha Sofia, Pico Paula, Rodrigues Fernando, Vieira Miguel Bigotte, Magriço Rita, Cotovio Patrícia, Caeiro Fernando, Aires Inês, Silva Cecília, Pena Ana, Bicho Luís, Jorge Cristina, Calado Cecília R C, Pereira Jorge P, Ferreira Aníbal, Marques Hugo P

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Аннотация

BACKGROUND/

OBJECTIVES

Early transient endocrine dysfunction after simultaneous pancreas-kidney transplantation (SPK) frequently triggers urgent investigations to exclude thrombosis, pancreatitis, or rejection, yet many recipients recover during the index admission. We tested whether pre-transplant day zero (D0) serum Fourier-transform infrared spectroscopy (FTIRS) captures a biochemical fingerprint associated with a Start&Stop trajectory (initial insulin independence followed by transient dysfunction with recovery).

METHODS

In a single-center retrospective case-control study nested within 104 consecutive SPK recipients with available D0 serum, 12 Start&Stop cases were matched 1:1 to 12 No-Stop controls. Serum FTIR spectra went through structured quality control and standardized preprocessing. A Naïve Bayes classifier with Fast Correlation-Based Filter (FCBF) feature selection was evaluated using leave-one-out cross-validation (LOOCV) and label-permutation analysis.

RESULTS

Under LOOCV, the primary FTIRS model (Savitzky-Golay second derivative; 600-900 and 2800-3400 cm-1) achieved excellent discrimination (ROC-AUC 1.00) with accuracy 0.958 and F1 score 0.958. Discrimination collapsed under label permutation (ROC-AUC 0.461), supporting a non-random label-spectrum association. Discriminant information mapped mainly to carbohydrate/glycoprotein-associated bands (~946-1161 cm-1), protein structural contributions near the amide III region (~1300 cm-1), and lipid/protein stretching modes (~2865-3163 cm-1), consistent with a multicomponent systemic biochemical state.

CONCLUSIONS

In this exploratory matched case-control cohort, pre-transplant D0 serum FTIRS signatures were associated with the subsequent Start&Stop phenotype after SPK. These findings should be interpreted as recipient-side exploratory risk-stratification signals rather than clinically actionable decision tools. Larger multicenter validation in unselected cohorts, with standardized endpoint adjudication, preanalytical control, fully nested model development and inter-instrument harmonization, is required before clinical implementation or population-level risk calibration.

Для цитирования: Vigia Emanuel, Ramalhete Luís, Araújo Rúben, Corado Sofia, Barros Inês, Chumbinho Beatriz, Nobre Ana, Carrelha Sofia, Pico Paula, Rodrigues Fernando, Vieira Miguel Bigotte, Magriço Rita, Cotovio Patrícia, Caeiro Fernando, Aires Inês, Silva Cecília, Pena Ana, Bicho Luís, Jorge Cristina, Calado Cecília R C, Pereira Jorge P, Ferreira Aníbal, Marques Hugo P. Pre-Transplant Serum FTIRS Signatures as Predictive Biomarkers of Early Transient Pancreatic Graft Dysfunction in Simultaneous Pancreas-Kidney Transplantation.. Life (Basel, Switzerland). 2026. DOI: 10.3390/life16050780.
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