Progressive compression of 1,ω-diammonium-alkanes inside a rigid crystalline molecular cage.

Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water.

Guest molecules confined inside hollow molecular assemblies and thus protected from their environment can show unexpected structural behavior or special reactivity compared to their behavior in a bulk, unprotected environment. A special case is the coiling behavior of variable-length alkane chains in rigid hydrogen-bonded molecular cages. It has been found before that coiling may occur in such ...

Adaptive binding and selection of compressed 1,ω-diammonium-alkanes via molecular encapsulation in water† †Electronic supplementary information (ESI) available. CCDC 1040388–1040390. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c4sc03945a Click here for additional data file. Click here for additional data file.

Molecular dynamics studies of straight-chain alkanes diffusion in SiO2 ceramic versus Bosanquet formula

Molecular Dynamics (MD) simulations were applied to calculate self-diffusion coefficients (Di ) and heats of adsorption for ethane, propane and n-butane. The simulations were done in temperature range of 300-525 K for various concentrations inside the pores of silicalite type zeolite. The calculated values of self-diffusion coefficients and heats of adsorption resulted from the current wo...

تأثیر فشردن قفسه سینه در زمان بازدم قبل از ساکشن داخل تراشه بر تبادل گازهای خون شریانی بیماران تحت تهویه مکانیکی

  Background & Aim : Endotracheal suctioning is one of the most frequently used methods for airway clearance in patients under mechanical ventilation. Chest physiotherapy techniques such as expiratory rib cage compression before endotracheal suctioning can be used as a means to facilitate mobilizing and removing airway secretions and improving alveolar ventilation. This study was carried out to...

Positronium Formation in Solid Long-Chain Alkanes

This paper represents a fragment of systematic studies on positron annihilation in solid saturated hydrocarbons (alkanes, paraffins) from C17H36 to C30H62. The Tao–Eldrup model and its extensions allow to identify the places in the crystalline structure where positronium is trapped, and estimate respective trap sizes. In the rigid phase I positronium locates mainly in two-dimensional empty spac...