Study of fragmentation using clusterization algorithm with realistic binding energies

We here study fragmentation using \emph{simulated annealing clusterization algorithm} (SACA) with binding energy at a microscopic level. In an earlier version, a constant binding energy (4 MeV/nucleon) was used. We improve this binding energy criterion by calculating the binding energy of different clusters using modified Bethe-Weizs\"{a}cker mass (BWM) formula. We also compare our calculations with experimental data of ALADiN group. Nearly no effect is visible of this modification

Synthesis and Spectral Characterization of Benzo[6,7] [1,5]diazocino[2,1-a]isoindol-12-(14H)-one Derivatives

© 2016 by the authors; licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC-BY) license (http://creativecommons.org/licenses/by/4.0/).A simple synthetic route to benzo[6,7][1,5]diazocino[2,1-a]isoindol-12(14H)-one ring system is developed from readily available starting materials 3-(2-oxo-2-phenylethyl) isobenzofuran-1(3H)-ones and 2-(aminomethyl)aniline catalysed by para-toluenesulfonic acid in toluene in 27-85% yields. The 1H- and 13C-NMR spectra of the final products were assigned using a variety of one and two-dimensional NMR experiments. The distinction between the two potential isomers of the final products was made on the basis of heteronuclear multiple bond connectivity NMR spectra (HMBC).Peer reviewe

Synthesis and Antimicrobial Activity of 1,2-Benzothiazine Derivatives

© 2016 by the authors; licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC-BY) license (http://creativecommons.org/licenses/by/4.0/).A number of 1,2-benzothiazines have been synthesized in a three-step process. Nine chalcones 1-9 bearing methyl, fluoro, chloro and bromo substituents were chlorosulfonated with chlorosulfonic acid to generate the chalcone sulfonyl chlorides 10-18. These were converted to the dibromo compounds 19-27 through reaction with bromine in glacial acetic acid. Compounds 19-27 were reacted with ammonia, methylamine, ethylamine, aniline and benzylamine to generate a library of forty-five 1,2-benzothiazines 28-72. Compounds 28-72 were evaluated for their antimicrobial activity using broth micro dilution techniques against two Gram-positive bacteria (Bacillus subtilis and Staphylococcus aureus), and two Gram-negative bacteria (Proteus vulgaris and Salmonella typhimurium). The results demonstrated that none of the compounds showed any activity against Gram-negative bacteria, P. vulgaris and S. typhimurium, however compounds 31, 33, 38, 43, 45, 50, 53, 55, 58, 60, 63 and 68 showed activity against Gram-positive bacteria, Bacillus subtilis and Staphylococcous aureus. The range of MIC and MBC was 25-600µg/ml; though some of the MIC and MBC concentrations were high indicating weak activity. Structure activity relationship studies revealed that the compounds with a hydrogen atom or an ethyl group on the nitrogen of the thiazine ring exerted antibacterial activity against Gram-positive bacteria. The results also showed that the compounds where the benzene ring of the benzoyl moiety contained a methyl group or chlorine or bromine atom in the para position showed higher antimicrobial activity. Similar influences were identified where either a bromine or chlorine atom was in the meta position.Peer reviewedFinal Published versio

Synthesis and antibacterial activity of benzo[4,5]isothiazolo[2,3-a]pyrazine-6,6-dioxide derivatives

Using a routine procedure, a number of derivatives of the benzo[4,5]isothiazolo[2,3-a]pyrazine-6,6-dioxide ring system have been synthesized from readily available starting materials. A series of chalcones were synthesized, which were subsequently reacted with chlorosulfonic acid to generate chalcone sulfonyl chlorides. The chalcone sulfonyl chlorides were then treated with bromine to generate dibromo chalcone sulfonyl chlorides. These were subsequently reacted with 1,2-diaminopropane and 2-methyl-1,2-diaminopropane in boiling ethanol resulting in compounds 2–10 and 11–19 respectively, in 12–80% yields. The products were characterized by spectral analysis and the definitive structure of compound 11 was determined by X-ray crystallography. The synthesized compounds were screened for potential antibacterial properties against Bacillus subtilis, Escherichia coli, Proteus vulgaris and Staphylococcus aureus

Calcific myofibrosis due to pentazocine abuse: a case report

<p>Abstract</p> <p>Introduction</p> <p>Pentazocine, a synthetic narcotic analgesic, is commonly used for the relief of moderate to severe pain secondary to various conditions. It is usually well tolerated; however, adverse effects are not uncommon, especially when higher doses are used and when it is used in a dependent fashion. There have been reports of various complications associated with its use, including skin fibrosis, skin ulceration, abnormal skin pigmentation and symmetrical myopathy with fibrous myopathy. Fibrosis has usually been reported in the muscles at the site of injection of the drug. Being opioid in nature, it has a high abuse potential.</p> <p>Case presentation</p> <p>Here we report a case of pentazocine-induced calcific myofibrosis in a 42-year-old man involving muscles which were not injected with pentazocine.</p> <p>Conclusion</p> <p>This case highlights the care that needs to be taken when prescribing opioid analgesics, such as pentazocine, as routine painkillers. Patients who have history of substance abuse are more likely to abuse other agents, including prescription drugs. Rare consequences such as calcific myofibrosis are devastating and can cause significant lifelong disability.</p

Synthesis and evaluation of chalcones and isobenzofuranones for their antimycobacterial activity.

Bhavani Anagani, Jatinder Bassin, Christopher Benham, and Madhu Goyal, 'Synthesis and evaluation of chalcones and isobenzofuranones for their antimycobacterial activity', poster presented at the British Society for Antimicrobial Chemotherapy in collation with The Royal Society of Chemistry, Antibiotic Resistant Mechanisms, Workshop for Researchers, Birmingham, UK, 26-27 November, 2015.Non peer reviewe

Synthesis and evaluation of antibacterial activity of series of novel diketones

Sharon Rossiter, Mire Zloh, Jatinder Bassin, Jagbir Singh, Madhu Goyal, ‘Synthesis and evaluation of antibacterial activity of series of novel diketones’, poster presented at the Antibiotic Resistance Mechanisms Conference, Birmingham, UK, 26-27 November, 2015.Non peer reviewe