Density functional theory (DFT) is widely applied in calculations of molecules and materials. Yet, it suffers from a well-known over-emphasis on charge delocalization arising from self-interaction error that destabilizes localized states. Here, using the symmetric diamine N,N'-dimethylpiperazine as a model, we have experimentally determined the relative energy of a state with positive charge lo...

This research includes synthesis of new derivatives benzimidazole , the compound (A1*) prepared by reaction o-phenylene diamine with carbon disulfide in alcoholic potassium hydroxide. Then was ethyl chloroacetate and hydroxide to give ester (A2*). preparation hydrazide (A3*) (A2*) hydrazine hydrate (80%). we used prepare pyrazole (A4), then mannich basses (A4) different primary aromatic amines ...

A 22-year-old female presented to us after consuming hair dye with features of angio-neurotic edema, asphyxia and irregular pulse. Serial ECGs revealed presence of ST segment elevation and T wave inversion in anterior chest leads. Strongly positive c-troponin-T test further confirmed the myocardial damage. This is a rare manifestation of para-phenylene diamine poisoning mentioned in literature....

There is a clinical need for new treatment option as a result of continued increase in the expression of resistance among bacterial and fungal pathogens. A number of compounds currently in development show promise. However, in some cases, there is concern that resistance may develop quickly to new compounds that are based on existing antimicrobial agents. So it is therefore desirable to develop...

An organic molecule--o-phenylene diamine (OPD)--is selected as an aldehyde sensing material. It is studied for selectivity to aldehyde vapours both by experiment and simulation. A chemiresistor based sensor for detection of aldehyde vapours is fabricated. An o-phenylene diamine-carbon black composite is used as the sensing element. The amine groups in the OPD would interact with the carbonyl gr...

New benzimidazole derivatives (benzimidazole-nitrone) were synthesized from the condensation of o-phenylene diamine with p-amino benzaldehyde in presence (P-TSOH\EtOH) then compounds that containing an imine group oxidized to obtain a nitrone by used peracetic acid and identified FT-IR, H1-NMR spectra, elemental analysis. all applied candida aspergillus fungi gave different result. The have Ph,...

To develop a simple rapid, accurate and spectrophotometric reproducible method were developed for estimation of PARA - PHENYLENE DIAMINE in different Marketed Hair dyes . The analysis PPD was performed using NaOH solution as diluent folins reagent at 432nm respectively .The methods linear the concentration range from 0-50µg/ml. validated with respect to system suitability, linearity, precision,...