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Hydrogen bonds are weak attractions between atoms that have formed other chemical bonds. One of these atoms is electronegative, like oxygen, and has a partial negative charge. The other is a hydrogen atom that has bonded with another electronegative atom and has a partial positive charge.
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Because hydrogen has very weak electronegativity when it binds with a strongly electronegative atom, such as oxygen or nitrogen, electrons in the bond are unequally shared....
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A hydrogen bond is formed when a weakly positive hydrogen atom already bonded to one electronegative atom (for example, the oxygen in the water molecule) is attracted to another electronegative atom from another polar molecule, such as water (H2O), hydrogen fluoride (HF), or ammonia (NH3). The huge electronegativity difference between the H atom (2.1) and the atom to which it is bonded (4.0 for an F atom, 3.5 for an O atom, or 3.0 for an N atom), combined with the very small size of an H atom...
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2D NMR: Heteronuclear Single-Quantum Correlation Spectroscopy (HSQC)01:19

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Heteronuclear single-quantum correlation spectroscopy (HSQC) is a 2D NMR technique that reveals one-bond correlations between hydrogen and a heteronucleus. The HSQC experiment is similar to the heteronuclear correlation experiment (HETCOR) but is more sensitive. In the HSQC spectrum, the proton chemical shift is plotted on the horizontal F2 axis, while the 13C chemical shift is plotted on the vertical F1 axis. The corresponding proton and 13C spectra are also shown. The HSQC contour plot does...
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Heteronuclear correlation spectroscopy is an analytical technique that investigates the coupling between different types of nuclei, often a proton and an X-nucleus, such as carbon-13 or nitrogen-15. This method is commonly used in nuclear magnetic resonance (NMR) spectroscopy to gain insights into complex chemical compounds' structural and compositional aspects. A typical heteronuclear correlation spectrum displays X-nucleus chemical shifts on one axis and a proton spectrum on the other...
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¹H NMR: Complex Splitting01:13

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A proton M that is coupled to a proton X results in doublet signals for M. However, NMR-active nuclei can be simultaneously coupled to more than one nonequivalent nucleus. When M is coupled to a second proton A, such as in styrene oxide, each peak in the doublet is split into another doublet.
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In bromoethane, the three methyl protons are coupled to the two methylene protons that are three bonds away. In accordance with the n+1 rule, the signal from the methyl protons is split into three peaks with 1:2:1 relative intensities. The methylene protons appear as a quartet, with the relative intensities of 1:3:3:1.
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Análisis cuantitativo de los bonos H múltiple

Esther S Brielle1, Isaiah T Arkin2

  • 1The Alexander Grass Center for Bioengineering, Benin School of Computer Science and Engineering, The Hebrew University of Jerusalem, Edmond J. Safra Campus, Jerusalem 9190400, Israel.

Journal of the American Chemical Society
|July 22, 2020
PubMed
Resumen
Este resumen es generado por máquina.

Los enlaces de hidrógeno múltiplex, que involucran tres o más grupos, son frecuentes en las hélices transmembrana. Estos enlaces no canónicos, en particular los que involucran serina y treonina, son significativamente más fuertes que los enlaces de hidrógeno individuales.

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Área de la Ciencia:

  • La bioquímica
  • Biología estructural
  • Espectroscopia

Sus antecedentes:

  • El enlace de hidrógeno es crucial para la estructura e interacciones biomoleculares.
  • Los estudios anteriores se centraron principalmente en enlaces de hidrógeno individuales, descuidando las interacciones múltiples.
  • La energética de los enlaces de hidrógeno múltiple sigue siendo en gran medida inexplorada.

Objetivo del estudio:

  • Investigar la prevalencia y la energía de los enlaces de hidrógeno múltiple.
  • Caracterizar los enlaces de hidrógeno no canónicos que involucran residuos de serina y treonina en las hélices transmembrana.
  • Determinar la contribución de estos enlaces a la estabilidad y flexibilidad de las proteínas.

Principales métodos:

  • Espectroscopia de infrarrojos con transformación de Fourier editada por isótopos (FTIR).
  • Cálculos de la Teoría Funcional de la Densidad (DFT).
  • Análisis de las secuencias de hélice transmembrana.

Principales resultados:

  • El 92% de las hélices transmembrana exhiben al menos un enlace de hidrógeno no canónico que involucra serina o treonina.
  • Estos enlaces se forman entre las cadenas laterales de hidroxilo y los oxígenos carbonílicos sobrecoordinados (posiciones i-4, i-3 o i).
  • Las entalpias de enlace son hasta un 127% más altas que los enlaces de hidrógeno simples canónicos.

Conclusiones:

  • Los enlaces de hidrógeno múltiplex que involucran serina y treonina son comunes en las hélices transmembrana.
  • Estas fuertes interacciones estabilizan los residuos en entornos hidrofóbicos.
  • Proporcionan flexibilidad, potencialmente crucial para la función de las proteínas.