Computational studies on novel energetic materials: (E)-2,4,6-Trinitro-N-(2,4,6-trinitrobenzylidene) benzenamine and its isomers

Some novel energetic isomeric materials have been designed substituting three nitro groups on each aromatic ring at different positions of N-benzylidenebenzamine. Structure-1 differs from HNS by having an aza-substitution (centric perturbation) at the olefin carbon. The other structures are constitutional isomers of I. By using DFT [B3LYP/6-31 G(d)] approach various MO and ballistics properties of these structures have been calculated and compared with values of HNS and HNAB which are related to 1

Novel RDX-Based Cage and Cage-Like Nitramines

1,3,5-Trinitroperhydro-1,3,5-triazine (RDX)-based cage and cage-like nitramines in which two RDX molecules are linked to each other via three and two carbon atoms, respectively, have been investigated computationally using density functional theory (DFT) at a B3LYP/6-31G(d,p) theoretical level. The study focused on finding out how the quantum chemical and detonation properties of RDX change if two RDX molecules come together and form these structures. Both considered nitramines exhibited higher heats of formation (calculated via both PM3 and isodesmic methods) and Kamlet-Jacobs detonation performances and were found to be more sensitive than the reference compounds RDX and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX)

Large bandwidth mode order converter by differential waveguides

In this article, we propose a large bandwidth mode-order converter design by dielectric waveguides with equal lengths but different cross-sectional areas. The efficient conversion between even and odd modes is verified by inducing required phase difference between the equal length waveguides of different widths. Y-junctions are composed of both tapered mode splitter and combiner to connect mono-mode waveguide to multi-mode waveguide. The converted mode profiles at the output port show that the device operates successfully at designed wavelengths with wide bandwidth. This study provides a novel technique to implement compact mode order converters and direction selective/sensitive photonic structures. © 2015 Optical Society of America

Hexamethylenetetramine Dinitrate (HDN): The Precursor for RDX Production by Bachmann Process

Hexamethylenetetramine dinitrate (HDN) is a rather weak explosive but is used as a precursor for the synthesis of RDX, one of the most important secondary nitramine explosives. HDN has limited application because of its hygroscopic character. This paper reports on the synthesis and characterization of HDN in high yield and purity by the reaction of hexamine with nitric acid at temperatures below 15 degrees C. It was characterized by FTIR and H-1 NMR spectroscopy, Scanning Electron Microscopy (SEM) and Liquid Chromatography/Mass Spectrometry (LC/MS) measurements. The thermal characteristics of HDN were determined by DSC and TG/DTA. The DSC curve of HDN shows an endothermic peak at 170.5 degrees C corresponding to the melting point of HDN, followed by two exothermic peaks at 174.0 degrees C and 200.5 degrees C due to the decomposition. The differences in the thermal behavior of HDN samples, which were thermally aged at 50 degrees C, 100 degrees C, and 150 degrees C in a nitrogen atmosphere were examined. Additionally, some quantum chemical properties of the nitration of hexamethylenetetramine were calculated

International Nosocomial Infection Control Consortium report, data summary of 50 countries for 2010-2015: Device-associated module

•We report INICC device-associated module data of 50 countries from 2010-2015.•We collected prospective data from 861,284 patients in 703 ICUs for 3,506,562 days.•DA-HAI rates and bacterial resistance were higher in the INICC ICUs than in CDC-NHSN's.•Device utilization ratio in the INICC ICUs was similar to CDC-NHSN's. Background: We report the results of International Nosocomial Infection Control Consortium (INICC) surveillance study from January 2010-December 2015 in 703 intensive care units (ICUs) in Latin America, Europe, Eastern Mediterranean, Southeast Asia, and Western Pacific. Methods: During the 6-year study period, using Centers for Disease Control and Prevention National Healthcare Safety Network (CDC-NHSN) definitions for device-associated health care-associated infection (DA-HAI), we collected prospective data from 861,284 patients hospitalized in INICC hospital ICUs for an aggregate of 3,506,562 days. Results: Although device use in INICC ICUs was similar to that reported from CDC-NHSN ICUs, DA-HAI rates were higher in the INICC ICUs: in the INICC medical-surgical ICUs, the pooled rate of central line-associated bloodstream infection, 4.1 per 1,000 central line-days, was nearly 5-fold higher than the 0.8 per 1,000 central line-days reported from comparable US ICUs, the overall rate of ventilator-associated pneumonia was also higher, 13.1 versus 0.9 per 1,000 ventilator-days, as was the rate of catheter-associated urinary tract infection, 5.07 versus 1.7 per 1,000 catheter-days. From blood cultures samples, frequencies of resistance of Pseudomonas isolates to amikacin (29.87% vs 10%) and to imipenem (44.3% vs 26.1%), and of Klebsiella pneumoniae isolates to ceftazidime (73.2% vs 28.8%) and to imipenem (43.27% vs 12.8%) were also higher in the INICC ICUs compared with CDC-NHSN ICUs. Conclusions: Although DA-HAIs in INICC ICU patients continue to be higher than the rates reported in CDC-NSHN ICUs representing the developed world, we have observed a significant trend toward the reduction of DA-HAI rates in INICC ICUs as shown in each international report. It is INICC's main goal to continue facilitating education, training, and basic and cost-effective tools and resources, such as standardized forms and an online platform, to tackle this problem effectively and systematically