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Jihyun Kim1,2, Micael Silva3, E̅riks Kupče4

  • 1Departments of Chemical and Biological Physics, Weizmann Institute of Science, Rehovot 7610001, Israel.

Analytical chemistry
|December 17, 2025
PubMed
Resumen
Este resumen es generado por máquina.

La Transformada de Hadamard (HT) puede acelerar los experimentos de Resonancia Magnética Nuclear (RMN) pero causa artefactos en la imagen de Transferencia de Saturación de Intercambio Químico (CEST). Un esquema HT extendido (eHT) elimina estos artefactos, mejorando el rendimiento de la RMN CEST.

Palabras clave:
Resonancia Magnética NuclearTransferencia de Saturación de Intercambio QuímicoTransformada de HadamardCodificación Hadamard extendidaEspectroscopía RMNImagenología CESTArtefactos de RMNAceleración de RMN

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Área de la Ciencia:

  • Espectroscopía de Resonancia Magnética Nuclear (RMN)
  • Imagenología de Transferencia de Saturación de Intercambio Químico (CEST)

Sus antecedentes:

  • La Transformada de Hadamard (HT) permite experimentos de Resonancia Magnética Nuclear (RMN) más rápidos al simplificar la extracción de información espectral.
  • Sin embargo, interacciones complejas como los acoplamientos espín-espín y el intercambio químico pueden alterar la relación directa entre la intensidad del pico espectral y la frecuencia, lo que lleva a artefactos en los experimentos de RMN.

Objetivo del estudio:

  • Identificar y explicar el origen de los artefactos en los experimentos de RMN de transferencia de saturación de intercambio químico (CEST) al usar codificaciones de Hadamard en el dominio de la frecuencia.
  • Proponer y validar un esquema de Transformada de Hadamard extendida (eHT) para eliminar estos artefactos conservando los beneficios de HT.

Principales métodos:

  • Se investigaron los artefactos derivados de las codificaciones clásicas de Hadamard en el dominio de la frecuencia en experimentos de RMN CEST.
  • Se desarrolló e implementó un esquema de Transformada de Hadamard extendida (eHT).
  • Se realizaron y procesaron experimentos de RMN CEST utilizando el esquema eHT.

Principales resultados:

  • Se demostró que las codificaciones de Hadamard clásicas en el dominio de la frecuencia introducen artefactos significativos en los experimentos de RMN CEST debido al intercambio químico.
  • El esquema eHT propuesto eliminó con éxito estos artefactos en los experimentos de RMN CEST.
  • Los experimentos de RMN CEST procesados con eHT mostraron un rendimiento mejorado en comparación con las implementaciones estándar y otros métodos acelerados para CEST de proteínas.

Conclusiones:

  • La Transformada de Hadamard extendida (eHT) elimina eficazmente los artefactos en los experimentos de RMN CEST causados por las codificaciones clásicas de Hadamard.
  • eHT preserva las ventajas de sensibilidad y velocidad de la Transformada de Hadamard para la RMN CEST acelerada.
  • Este avance ofrece un enfoque más robusto y preciso para estudios avanzados de RMN CEST de proteínas.