40 research outputs found

    Characterization of gas phase WC2+: a thermodynamically stable carbide dication

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    International audienceUsing an ab initio methodology, we performed a detailed theoretical study of the gas phase WC2+ dication.These calculations were done using a multiconfigurational method in connection with a large basisset, where relativistic effects were taken into account. This dication is identified here as the firstthermochemically stable doubly charged diatomic carbide in the gas phase. Our work hence confirmsthe stability of this dication in the gas phase and its earlier observations by atom probe massspectrometry. Our calculations show that the shape of the potential energy curves of its lowestelectronic states changes drastically upon consideration of relativistic effects. For instance, theelectronic ground state possesses a Morse-like potential without spinā€“orbit that evolves to the usualvolcanic behavior, and with a columbic 1/R evolution at large internuclear separation after inclusion ofspinā€“orbit. We predict a set of thermochemical and spectroscopic data for this molecular species

    An unusual case of a maxillary sinonasal neuroendocrine carcinoma

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    It’s a 24 years old female patient who presented with rhinological burning pain evolving since 1 year. She didn’t consult until a blistering lesion filled half of the oral cavity. The initial biopsy of the tumor was interpreted as a round cell tumor process

    Anti-Struvite, Antimicrobial, and Anti-Inflammatory Activities of Aqueous and Ethanolic Extracts of <i>Saussurea costus</i> (Falc) Lipsch Asteraceae

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    Saussurea costus (Falc) Lipsch is a traditional herb used to treat kidney stone problems because it contains several molecules used to treat this health problem, such as quercitrin. Infectious stones are the most painful of all urinary tract disorders, with ammonium phosphate (struvite) and carbapatite stones being the most common, caused by a bacterial infection with urease activity. These stones are treated with antibiotics, but antibiotic resistance is on the rise. The current study investigated the anti-urolithic activities of S. costus aqueous and ethanolic extracts of against struvite crystals synthesized using microscopic crystallization and turbidimetric methods, respectively. The utilized methods indicated that the ethanolic extract of this plant has a significant inhibitory effect on struvite crystallization, with a percentage inhibition of (87.45 Ā± 1.107) (p āˆ’1 and a decrease in the number of struvite crystals, reaching values less than 100/mm3. For the number of struvite crystals inhibited by cystone, we found a value of 400/mm3 and with the aqueous extract we found 700/mm3. The antibacterial activity of the plant extracts studied was examined against several urease-producing bacteria, and this activity was evaluated by qualitative and quantitative evaluation methods; the highest minimum inhibitory concentration was seen in the ethanolic extract, with an MIC of 50 mg mLāˆ’1 for Staphylococcus aureus followed by an MIC of 200 mg mLāˆ’1 for Klebsiella pneumoniae. It showed a minimal bactericidal concentration (MBC) against S. aureus and K. pneumoniae (>50 mg mLāˆ’1 and >200 mg mLāˆ’1, respectively). Furthermore, to determine the extractā€™s anti-inflammatory activity, in vivo anti-inflammatory activity was investigated in rats. The results show that at a dose of 400 mg kgāˆ’1, the ethanolic extract has a maximum edema inhibition of 66%
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