Reactive molecular dynamics simulations are computationally demanding. Reaching spatial and temporal scales where interesting scientific phenomena can be observed requires efficient and scalable implementations on modern hardware. In this paper, we focus on optimizing the performance of the widely used LAMMPS/ReaxC package for multi-core architectures. As hybrid parallelism allows better levera...

The sensing and differentiation of explosive molecules is key for both security and environmental monitoring. Single fluorophores are a widely used tool for explosives detection, but a fluorescent array is a more powerful tool for detecting and differentiating such molecules. By combining array elements into a single multichannel platform, faster results can be obtained from smaller amounts of ...

Most explosive detection technologies have been focused on nitro-based military explosives because, indeed, they have figured in international terrorist incidents. Not only are they readily available through purchase or theft or from sponsoring states, but methods for home synthesis of TNT, PETN and RDX are widely available. Presently substantial resources are being committed to developing expl...

BACKGROUND Nasopharyngeal carcinoma (NPC) is a type of head and neck cancer with very high prevalence in southern China. Phosphatase and tensin homolog (PTEN), a tumor suppressor, was reported to be downregulated in NPC patients and correlated with pathological grade and clinical stage of NPC. MATERIAL AND METHODS Luciferase reporter assay, qPCR, and Western blot analysis were used to determine...

Costaria costata is a commercially and industrially important brown alga. In this study, we used next-generation sequencing to determine the complete plastid genome of C. costata. The genome consists of a 129,947 bp circular DNA molecule with an A+T content of 69.13% encoding a standard set of six ribosomal RNA genes, 27 transfer RNA genes, and 137 protein-coding genes with two conserved open r...

Scutellaria baicalensis Georgi (Lamiaceae) is the source of the well-known traditional Chinese medicine "HuangQin" (Radix Scutellariae). Natural sources of S. baicalensis are rapidly declining due to high market demand and overexploitation. Moreover, the commercial products of Radix Scutellariae have often been found to contain adulterants in recent years, which may give rise to issues regardin...

Commonly available, nonconventional energetic materials such as H2O2, ammonium nitrates (AN), as well as reactive materials (e.g., mixtures of metals and metal oxides), and conventional plastic explosives primarily made of pentaerythritol tetranitrate (PETN), cyclotrimethylene trinitramine (RDX), cyclotetramethylene-tetranitramine (HMX), and triaminotrinitrobenzene (TATB), are often materials u...

This article presents design issues of high-sensitive laser absorption spectroscopy systems for nitrogen oxides (NO(x)) detection. Examples of our systems and their investigation results are also described. The constructed systems use one of the most sensitive methods, cavity enhanced absorption spectroscopy (CEAS). They operate at different wavelength ranges using a blue--violet laser diode (4...

The initial reaction in compressed DTTO crystal involves an intermolecular oxygen-transfer reaction (barrier 40.1 kcal mol ¬1) that quickly leads to decomposition with the release of one N 2 O molecule. This is quite diff erent from other energetic materials such as RDX, PETN and HMX, for which the initial steps lead to NO 2 dissociation or hydrogen-transfer to eliminate HONO. Di-tetrazine-tetr...

A previous study using data from nrDNA (ITS), maldehy, and petN-psbM (cpDNA) confirmed that allopatric hybridization is occurring at Wallowa, OR, eastern WA, and southeastern BC into western Montana. nrDNA was found to be of less use in detecting hybrids than a single copy nuclear gene (SCN), maldehy. This might to be due to concerted evolution in nrDNA or relictual effects from ancient speciat...