Dual-Site Model for Calculations of Gibbs Free Energies and Enthalpies of Adsorption: Methane in Zeolite Mobile Five (H-MFI).

Quantum chemical hybrid MP2:PBE+D2 calculations in combination with molecular statistics are employed to calculate enthalpies and Gibbs free energies of adsorption for CH at Brønsted acid sites [bridging Si-O(H)-Al groups] and silica wall sites (Si-O-Si) of the proton form of zeolite MFI (H-ZSM-5) and its purely siliceous analogue Silicalite-1. A Langmuir model is adopted to calculate the amounts of CH adsorbed at each type of site from the Gibbs free energies. The combination of these results according to the ratio of silica wall sites and Brønsted acid sites in the sample yields adsorption isotherms for zeolites with different Si/Al ratios.

Penetrating Foreign Bodies in Head and Neck Trauma: A Surgical Challenge.

Penetrating foreign bodies of different origins in the head and neck are rare and potentially dangerous injuries, which might pose problems for their detection, primary care, and final treatment. Depending on the severity of the underlying trauma, some injuries present a higher risk for the presence of foreign bodies. Minor wounds, including common lacerations, are likely to be contaminated with loose gravel debris or dental fragments, and need to be distinguished from severe wounds caused by impalement, shootings, stabbings, and explosions.

Expression of inhibitory receptors on intratumoral T cells modulates the activity of a T cell-bispecific antibody targeting folate receptor.

T-cell bispecific antibodies (TCBs) are a novel therapeutic tool designed to selectively recruit T-cells to tumor cells and simultaneously activate them. However, it is currently unknown whether the dysfunctional state of T-cells, embedded into the tumor microenvironment, imprints on the therapeutic activity of TCBs. We performed a comprehensive analysis of activation and effector functions of tumor-infiltrating T-cells (TILs) in different tumor types, upon stimulation by a TCB targeting folate receptor 1 and CD3 (FolR1-TCB).

Photodissociation at various wavelengths: fragmentation studies of oxazine 170 using nanosecond laser pulses.

The fragmentation of oxazine 170, a rhodamine-type dye, has been investigated by means of collisions and photodissociation with visible and ultraviolet radiation in a Fourier transform ion cyclotron resonance mass spectrometer. Because of an improved experimental setup, the photodissociation processes of stored ions are measured with high intensity with respect to the absorbed photons. By isotope labelling and quantum chemical calculations, the various fragmentation mechanisms are investigated.

Supramolecular complex coupled to a metal nanoparticle: computational studies on the optical absorption.

Absorption spectra of a supramolecular complex (SC) placed in the proximity of a spherical metal nanoparticle (MNP) are computed. A description of the absorption is used that is based on a density matrix propagation. The applied density matrix theory starts from a microscopic model including the Coulomb interaction between the SC and the MNP.