Our recent molecular dynamics simulations of decomposing Alzheimer's disease plaques, under oscillating- and static external electric fields (Os-EEFs and St-EEFs), revealed the superiority of Os-EEF for decomposing plaques consisting of the 7-residue peptide segment. This conclusion is now reinforced by studying the dimers of the short peptides and trimers of the full-length Aβ-42 peptide. Thus, the dispersed peptides obtained following St-EEF applications reformed the plaques once the St-EEF subsided.
View Article and Find Full Text PDFThis study investigates π-delocalization, π-bonding situations, and aromaticity of the pentazolate anion ([cyclo-N], ()), which was detected by Christe in 2002. To gain a broader perspective, we investigated the iso-π-electronic species [cyclo-P] () and [cyclo-(CH)] (). VB analyses reveal that the three studied molecules display significant resonance stabilization, as indicated by their high resonance energy values.
View Article and Find Full Text PDF: The use of salivary biomarkers offers a non-invasive approach to understanding the metabolic and inflammatory status of hypertensive patients. This study aimed to quantify the salivary nitric oxide (NO), total cholesterol, triglycerides, high-density lipoproteins (HDL), and low-density lipoproteins (LDL) levels in hypertensive individuals and healthy controls in a sub-population in Saudi Arabia. : This cross-sectional study comprised 40 hypertensive patients (test group, 40-50 years old) and 40 age-matched healthy controls who visited the dental hospital in the College of Dentistry, King Khalid University, for dental treatment.
View Article and Find Full Text PDFIntroduction: Multimodal medical image fusion techniques play an important role in clinical diagnosis and treatment planning. The process of combining multimodal images involves several challenges depending on the type of modality, transformation techniques, and mapping of structural and metabolic information.
Methods: Artifacts can form during data acquisition, such as minor movement of patients, or data pre-processing, registration, and normalization.
We present computational results of many-body dispersion (MBD) interactions for 40 pairs of molecular and atomic species: hydrocarbons, silanes, corresponding fluorinated derivatives, pairs which have multiple H---H contacts between the molecules, as well as pairs having π-π interactions, and pairs of noble gases. The calculations reveal that the MBD stabilization energy () obeys a global relationship, which is . It is proportional to the product of the masses of the two molecules () and inversely proportional to the corresponding distances between the molecular centers-of-mass () or the H---H distances of the atoms mediating the interactions of the two molecules ().
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