The Enhanced Recovery After Surgery protocol for the surgical management of craniosynostosis: Lausanne experience.

Objective: Over the past decade, the Enhanced Recovery After Surgery (ERAS) program has demonstrated its effectiveness and efficiency in improving postoperative care and enhancing recovery across various surgical fields. Preliminary results of ERAS protocol implementation in craniosynostosis surgery are presented.

Methods: An ERAS protocol was developed and implemented for cranial pediatric neurosurgery, focusing on craniosynostosis repair.

Validation of potential energy distribution by VEDA in vibrational assignment some of β-diketones; comparison of theoretical predictions and experimental vibration shifts upon deutration.

The harmonic vibrational frequencies of the cis-enol forms of some of β-diketones with different substitution in beta position, vis. H, CH3, and Ph ring, as the symmetric and asymmetric molecules, were calculated using density functional theory (DFT) at the B3LYP/6-311++G(d,p) level of theory. The results of DFT calculations were used to obtain the potential energy distribution (PED) by VEDA software.

Vibrational spectra, normal coordinate analysis, and hydrogen bond investigation of pyridinium perchlorate.

The IR and Raman spectra of pyridine perchlorate salt (PyHClO) have been recorded in the 4000-300 and 3200-200cm regions, respectively. The structure and vibrational spectra of pyridine salt have been investigated by means of ab initio and density functional theory (DFT) calculations. To examine the efficiency of basis sets in predicting the vibrational spectra of ClO ion, several basis sets were used with the B3LYP and B2PLYP levels of theory.

Structure, isomerism, and vibrational assignment of aluminumtrifluoroacetylacetonate. An experimental and theoretical study.

An interpretation of the experimental IR and Raman spectra of Aluminum (III) trifluoroacetylacetonate (Al(TFAA)3) complex, which were synthesized by us, is first reported here. The charge distribution, isomerism, strength of metal‑oxygen binding and vibrational spectral properties for this complex structure were theoretically investigated through population analysis, geometry optimization and harmonic frequency calculations, performed at B3LYP/6-311G* level of theory. In the population analysis, two different approaches reffered to as "Atoms in molecules (AIM)", and "Natural Bond Orbital (NBO)" were used.

Proton transfer in acetylacetone and its α-halo derivatives.

A two-dimensional potential energy surface was utilized to treat the proton transfer in acetylacetone (AA) and its α-halo derivatives: α-fluoro-(FAA), α-chloro-(ClAA), and α-bromo-acetylacetone (BrAA). This potential energy function, which couples O-H stretching and in-plane bending vibrations, was acquired through ab initio calculations for a fixed skeleton geometry. The resulting potential energy surfaces were then used to calculate the proton tunneling frequencies and proton transfer barrier heights.