Collisional excitation of propargylimine by helium: new 3D-potential energy surfaces and scattering calculations.

We present quantum coupled-state calculations for the rotational excitation of interstellar propargylimine due to collisions with helium. The calculations are based on new high-accurate three-dimensional potential energy surfaces (3D-PESs) adapted for rigid-rotor scattering computations. The two PESs (/-PGIM-He) were determined using the explicitly correlated coupled-cluster approach with single, double and perturbative triple excitation [CCSCD(T)-F12] and the standard aug-cc-pVTZ basis set.

New theoretical investigation of rotational inelastic (de)-excitation of calcium isocyanide CaNC(Σ) in collision with He(S).

The theoretical study of collisions between atoms and molecules provides a detailed description of the involved mechanisms and greatly contributes to improving atmospheric and astrophysics models. In the present paper, we focus on the new calculation of rate coefficients for the first 25 rotational levels of the CaNC molecule in collision with He. A new 2D potential energy surface (2D-PES), for the CaNC-He system, was determined using the single, double and perturbative triple excitation restricted coupled-cluster method [rccsd(t)] and the standard aug-cc-pVQZ basis sets.

Impact of Epithelial-Mesenchymal Transition on the Immune Landscape in Breast Cancer.

The impact of epithelial-mesenchymal transition (EMT) signature on the immune infiltrate present in the breast cancer tumor microenvironment (TME) is still poorly understood. Since there is mounting interest in the use of immunotherapy for the treatment of subsets of breast cancer patients, it is of major importance to understand the fundamental tumor characteristics which dictate the inter-tumor heterogeneity in immune landscapes. We aimed to assess the impact of EMT-related markers on the nature and magnitude of the inflammatory infiltrate present in breast cancer TME and their association with the clinicopathological parameters.

Rotational (de)-excitation of C by collision with He at low temperature.

An appropriate estimation of the abundance of the observed C radical in the interstellar medium requires accurate radiative and collisional rate coefficients. We present the first two-dimensional potential energy surface (2D-PES) for the ground electronic state of the C(XΣ)-He(XS) van der Waals system, obtained using an explicitly correlated coupled-cluster method with single, double, and perturbative triple excitations (RCCSD(T)-F12). This PES is subsequently used in quantum close-coupling (CC) scattering calculations.

Impact of Demographic Factors, Obesity, and Oral Health Status on Self-esteem among School-going Children in United Arab Emirates: A Cross-sectional Study.

Objectives: The objective of this study was to determine if oral health, obesity, and demographic factors have an impact on self-esteem among school-going children in United Arab Emirates.

Materials And Methods: Ten schools (six private and four public) were selected using random digit table. Decayed, missing, and filled teeth index according to the World Health Organization criteria was used to assess dental caries.