The Anisotropic Chemical Reaction Mechanism of 1,3,3-trinitroazetidine (TNAZ) under Different Shock Wave Directions by ReaxFF Reactive Molecular Dynamics Simulations

1,3,3-Trinitroazetidine (TNAZ) has good thermal stability and low shock sensitivity, among other properties, and it has broad prospects in insensitive ammunition applications. In this study, a molecular dynamics calculation based on the ReaxFF-lg force field and multiscale shock technique (MSST) was used to simulate the shock-induced chemical reaction of TNAZ with different shock wave directions. The results showed that the shock sensitivity of TNAZ was in the order of [100] > [010] > [001]. There were significant differences in molecular arrangements in different shock directions, which affected the reaction rate and reaction path in different directions. The molecular arrangement in the [010] and [001] directions formed a “buffer” effect. The formation and cleavage of bonds, formation of small molecules and growth of clusters were analyzed to show the effect of the “buffer”. The polymerization reactions in the [010] and [001] directions appeared later than that in the [100] direction, and the cluster growth in the [010] and [001] directions was slower than that in the [100] direction. In different shock loading directions, the formation and cleavage mechanisms of the N-O bonds of the TNAZ molecules were different, which resulted in differences in the initial reaction path and reaction rate in the three directions     

As low as reasonably achievable catalyst loadings in the cross metathesis of olefins with ethyl acrylate

A series of ruthenium catalysts for olefin metathesis have been screened in the cross metathesis of 1,9-decadiene with ethyl acrylate. Under optimized reaction conditions a catalyst loading of only 100 ppm in respect to double bonds was sufficient for complete conversion of the diene.     

Convenient and Efficient Method for the Iodination of Aromatic Amines by Pyridinium Iodochloride

A simple and efficient method for the iodination of aromatic amines using pyridinium iodochloride (PyICl) in methanol as solvent is reported. Mild reaction conditions, short reaction time, and good to excellent yields of the product are the noteworthy advantages of the method. Pyridinium iodochloride is an efficient solid iodinating reagent and can be handled safely.     

Quantum phase properties of the field in a two-photon micromaser

In this paper, we study the quantum phase properties of the field in a two-photon micromaser, including the effects of the finite detuning of the intermediate level. For initial coherent state of the cavity field and atoms initially in their excited state multipeak phase structure appears which eventually leads to the randomization of the cavity field phase. However, the approach towards the randomization depends upon the detuning. If the atoms are injected in a coherent superposition of their upper and lower atomic states then the phase distribution evolves into two-peak structure. For initial thermal state and atoms in polarized state, cavity field acquires some phase. We also consider the effect of finite Q of the cavity, random injection of the atoms and fluctuations in the interaction time.     

Studies on transannulation reactions across a nine-membered ring: the synthesis of natural product-like structures

A series of diverse natural product-like structures have been synthesised by the use of a number of novel transannulation reactions across a cyclononene ring. Transannular cyclisations through oxygen functionality have generated a number of bicyclo[5.3.1]systems containing bridged cyclic ethers and bicyclo[5.2.2]lactones, as well as a tetrahydrofuran-containing bridged analogue of hexacyclinic acid. An unprecedented Br?nsted acid mediated transannular cyclisation between proximal carbons generated bicyclo[4.3.0]nonanes which form the core of the pinguisane and austrodorane families of sesquiterpenoids. In all cases the key factor that determined the mode of reactivity was the conformation of the nine-membered ring and the distance between the reacting centres.     

Resolution beyond classical limits with spatial frequency heterodyning

A technique for coherent imaging based on spatial frequency heterodyning is described. Three images corresponding to three physical measurements are recorded. For the first measurement, a scene is simply illuminated with a coherent beam and for measurements 2 and 3, the scene is projected with cosine and sine fringes, respectively. Due to spatial frequency heterodyning, upper and lower side band information falls in the pass band of the imager. These bands are separated and correct phases and positions are assigned to these bands in the spatial frequency domain. An extension of bandwidth is achieved in the frequency domain and the inverse frequency domain data then give a high resolution coherent image.     

Quantum phase properties of the field in a micromaser: Effect of cooperative atomic interactions, cavity losses and pump fluctuations

In this paper, we study the effect of cooperative atomic interactions, cavity losses, and pump fluctuations on quantum phase properties of the field in a one-photon micromaser. We consider, initial coherent state of the radiation field and atoms initially in the excited and coherent superposition of their atomic states, respectively. We find that quantum phase properties of the field in a micromaser are highly sensitive to two-atom events and cavity losses. Both contribute to the randomization of the well-defined phase structure associated with the initial coherent state. However, the approach towards the randomization is quite different in the two cases. We also find that the fluctuations, associated with the random injection of the atoms, affect the phase structure of the coherent state.     

Role of spatial mode function in the presence of two-atom events in a micromaser

In this paper, we discuss the effects of spatial mode function in an one-photon micromaser in the presence of two-atom events. It is shown that two-atom events allow us a possibility to study the effects of different cavity eigenmodes in a micromaser. We find that squeezing properties of the radiation field depend upon the parity (odd or even) and order (lower or higher) of cavity eigenmodes. For example, squeezing can be obtained for odd-order cavity eigenmodes which completely vanishes for even-order modes. Our results also show that effects similar to self-induced transparency are never obtained in the presence of two-atom events. Finally, we consider the effect of pump fluctuations and cavity losses in our system.     

Chemokine Receptor 5 Antagonism Causes Reduction in Joint Inflammation in a Collagen-Induced Arthritis Mouse Model

Rheumatoid arthritis (RA) is a chronic inflammatory disease mainly affecting the synovial joints. A highly potent antagonist of C-C chemokine receptor 5 (CCR5), maraviroc (MVC), plays an essential role in treating several infectious diseases but has not yet been evaluated for its potential effects on RA development. This study focused on evaluating the therapeutic potential of MVC on collagen-induced arthritis (CIA) in DBA/1J mice. Following CIA induction, animals were treated intraperitoneally with MVC (50 mg/kg) daily from day 21 until day 35 and evaluated for clinical score and histopathological changes in arthritic inflammation. We further investigated the effect of MVC on Th9 (IL-9, IRF-4, and GATA3) and Th17 (IL-21R, IL-17A, and RORγT) cells, TNF-α, and RANTES in CD8+ T cells in the spleen using flow cytometry. We also assessed the effect of MVC on mRNA and protein levels of IL-9, IL-17A, RORγT, and GATA3 in knee tissues using RT-PCR and western blot analysis. MVC treatment in CIA mice attenuated the clinical and histological severity of inflammatory arthritis, and it substantially decreased IL-9, IRF4, IL-21R, IL-17A, RORγT, TNF-α, and RANTES production but increased GATA3 production in CD8+ T cells. We further observed that MVC treatment decreased IL-9, IL-17A, and RORγt mRNA and protein levels and increased those of GATA3. This study elucidates the capacity of MVC to ameliorate the clinical and histological signs of CIA by reducing pro-inflammatory responses, suggesting that MVC may have novel therapeutic uses in the treatment of RA.