Controlling the selectivity of a detonation initiation reaction of explosive is essential to reduce sensitivity, and it seems impossible to reduce it by strengthening the external electric field. To verify this, the effects of external electric fields on the initiation reactions in NHNO∙∙∙NH, a model system of the nitroamine explosive with alkaline additive, were investigated at the MP2/6-311++G(2d,p) and CCSD(T)/6-311++G(2d,p) levels. The concerted effect in the intermolecular hydrogen exchange is characterized by an index of the imaginary vibrations.
View Article and Find Full Text PDFIn order to reduce the vulnerability, the responses to shock waves for booster explosives JO9C, JH14, JH6, and insensitive RDX were evaluated using shock wave partition loading test. To explain the experimental results, molecular dynamics simulation, intermolecular interaction and bond dissociation energy (BDE), and shock initiation pressures were evaluated using the B3LYP, MP2 (full), and M06-2X methods with the 6-311 + + G(2df,2p) basis set. The order of the responsivity is JO9C > JH14 > JH6 > insensitive RDX.
View Article and Find Full Text PDFWe present two types of two-dimensional (2D) photonic crystals (PC) hydrogel sensors based on glycated albumin (G-alb) as a proof-of-concept for utilizing recognition between G-alb and bacterial cell surface lipopolysaccharides (LPS) to detect and discriminate Gram-negative bacteria. The G-alb functionalized PC-G-alb hydrogel provides recognition of different LPS via hydrogen bonding and can discriminate different Gram-negative bacteria based on their LPS types. The hydrogel delivered LOD of 0.
View Article and Find Full Text PDFl-Kynurenine (KYN) is a metabolite of the Kynurenine pathway and is a known potential marker of immune suppressant disorders and cancer. Here, we present a molecularly imprinted two dimensional (2D) Photonic crystal (PC) hydrogel sensor for the detection of L-KYN in human serum. The sensor utilizes polystyrene-based 2D PC colloidal arrays (2D PCCA) hydrogel with methacrylic acid as the functional monomer which can imprint the L-KYN template by hydrogen bonding.
View Article and Find Full Text PDFSynthesis of 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane and 1,3,5-trinitro-1,3,5-triazacyclohexane by the Bachmann process leads to a mixture of both. The separation of 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane and 1,3,5-trinitro-1,3,5-triazacyclohexane from their mixture is difficult because the sizes and physical properties of these homologous compounds are similar. For this purpose, seven molecularly imprinted polymers have been synthesized for each explosive, and a selective solid-phase extraction procedure has been developed.
View Article and Find Full Text PDFThe worldwide threat from tuberculosis (TB) has resulted in great demand for new drugs, particularly those that can treat multidrug-resistant TB. We synthesized novel pleuromutilin derivatives with N-benzylamine side chain substituted at the C14 position and evaluated their activity in vitro against a virulent strain of Mycobacterium tuberculosis (H37Rv). The primary assay results showed that five compounds inhibited the H37Rv at 20μM, with a MIC of one of the analogues as low as 7.
View Article and Find Full Text PDFObjective: To study the clinical application value of middle segment pancreatectomy in the treatment of benign tumors of the amphi-neck of the pancreas.
Methods: Fifteen cases were retrospectively analyzed treated from November 2005 to June 2009. There were 3 male and 12 female aging from 30 to 50 years.
Zhonghua Wai Ke Za Zhi
December 2006