Reactive Molecular Dynamics Simulations of the Thermal Decomposition Mechanism of 1,3,3-Trinitroazetidine.

1,3,3-Trinitroazetidine (TNAZ) has a molecular formula of C3 H4 N4 O6 and the characteristics of low melting point, low impact sensitivity and good thermal stability. It is suitable for melt casting and pressed charges, and it has broad prospects for applications in low-sensitivity ammunition. In this study, the thermal decomposition of TNAZ crystals at high temperature was calculated by molecular dynamics simulation with the ReaxFF/lg reactive force field. The change in the potential energy of TNAZ, the formation of small-molecule products and clusters, and the initial reaction path of TNAZ were analysed. The kinetic parameters of different reaction stages in TNAZ thermal decomposition were obtained. The primary thermal decomposition reaction of TNAZ was found to be as follows: N-NO2 and C-NO2 bonds broke; a H atom on the quaternary ring was transferred to the nitro group; and the C-HNO2 and N-HNO2 bonds broke. The main decomposition products of TNAZ were thus NO2 , NO, N2 , H2 O, CO2 and HNO2 , as well as macromolecular clusters. The size of the cluster structure was related to the reaction temperature, and the higher the temperature was, the smaller the cluster size was.

Sleep disorder of schizophrenia treated with shallow needling: a randomized controlled trial / 中国针灸

<p><b>OBJECTIVE</b>To compare the clinical effective differences between shallow needling and medication for the sleep disorder of schizophrenia.</p><p><b>METHODS</b>Ninety-six patients with the sleep disorder of schizophrenia were randomly divided into a shallow needling group and a medication group, 48 cases in each one (one case dropping in the shallow needling group and two cases dropping in the medication group). The same dose paliperidone tablets were adopted in the two groups. In the shallow needling group, the main acupoints were Baihui (GV 20), Shangenxue (Extra) and Ezhongxian (MS 1), and the acupoints based on syndrome differentiation were selected. The shallow needling manipulation was used once a day, 5 times a week. In the medication group, 3 mg eszopiclone tablets were prescribed orally before sleep once every night. The patients were treated for 6 weeks in the two groups. Sleep condition was evaluated by Pittsburgh sleep quality index (PSQI) before and after treatment, and the clinical efficacy and the adverse reaction were assessed by positive and negative symptoms scale (PANSS) and treatment emergent symptom scale (TESS) before and after 2-week, 4-week and 6-week treatment. The clinical effects between the two groups were compared.</p><p><b>RESULTS</b>After treatment in the two groups, both the total scores and the each factor score of the PSQI and the PANSS were apparently decreased (P<0. 05, P<0. 01). As for the PSQI scale, after treatment the daytime dysfunctional score of the shallow needling group was reduced more obviously than that of the medication group (P<0. 05), and the falling asleep time in the medication group was declined more markedly compared with that in the shallow needling group (P<0. 05). Regarding the PANSS, the improvement of the pathological factor in the shallow needling group was better than that in the medication group after treatment (P<0. 05), and the improvement of the positive factor in the medication group was superior to that in the shallow needling group after treatment (P<0. 05). The total scores and each factor score of the PSQI and the PANSS were not statistically different between the two groups after treatment (P>0. 05). At the end of the 6th week, the curative and effective rate was 63. 9% (30/47) and the total effective rate was 95. 8% (45/47) in the shallow needling group;the curative and effective rate was 58. 7% (27/46) and the total effective rate was 91. 3% (42/46) in the medication group. The difference of the effect was not statistically significant between the two groups (P>0. 05). The scores of TESS in the shallow needling group were lower than those in the medication group (P<0. 01, P<0. 05).</p><p><b>CONCLUSION</b>The effect of shallow needling for assisting the sleeping disorder of schizophrenia is reliable and it is similar with the efficacy of eszopiclone. Also, the shallow needling can improve the daytime dysfunction and the pathological factor apparently without adverse reaction and pain. Its safety is obviously better than that of eszopiclone.</p>

Analysis of the influences of BiPAP on night-time hypoxemia and sleeping characteristics of patients with over- lap syndrome / 中国实用内科杂志

Objective To investigate the influences of Bi-level positive airway pressure(BiPAP)to night-time hy- poxemia and change of sleep structure in the patients with overlap syndrome(OS).Methods 25 patients with OS,19 with primary snoring(PS)were monitored and diagnosed by nocturnal polysomnography(PSG)for parameters of sleep efficiency(SE)and sleep architecture.The data of patients with OS were rechecked after 2-month's BiPAP treatment. Results In OS group,the level of FEV1%,FEV1/FVC,SaO2 A,SaO2 L,SE,REM and S3+4 were significantly lower than those in PS(P