Ab initio study of the structures and stabilities of the dimer of ethyl cation, (C(2)H(+)(5))(2) and related C(4)H(10)(2+) isomers.

Ab initio calculations at the MP4(SDTQ)/6-311G//MP2/6-31G level were performed to study the structures and stabilities of the dimer of ethyl cation, (C(2)H(+)(5))(2), and related C(4)H(10)(2+) isomers. Two doubly hydrogen bridged diborane type trans 1 and cis 2 isomers were located as minima. The trans isomer was found to be more favorable than cis isomer by only 0.6 kcal/mol. Several other minima for C(4)H(10)(2+) were also located. However, the global energy minimum corresponds to C-H (C(4) position) protonated 2-butyl cation 10. Structure 10 was computed to be substantially more stable than 1 by 31.7 kcal/mol. The structure 10 was found to be lower in energy than 2-butyl cation 13 by 34.4 kcal/mol.     

Synthesis of some new 4-imino-3,5,7-trisubstituted-pyrido[2,3-d]pyrimidine-2(1H)-thiones

The synthesis of 4-imino-3,5,7-trisubstituted-pyrido[2,3-d]pyrimidine-2(1H)-thiones is described. The elemental analysis, ir and nmr spectral data confirm the structure of the products.     

Synthesis,crystal structure and optical properties of quasi-one-dimensional lead (II) iodide: C14H18N2Pb2I6

Quasi-one-dimensional lead (II) iodide compound, C₁₄H₁₈N₂Pb₂I₆, with unique crystal structure was synthesized and solved for the crystal structure. These novel inorganic-organic hybrids have high thermal stability of upto 300 °C and show excitonic and charge-transfer features in their optical properties. An attempt has been made to understand the structural and optical mechanisms between inorganic one-dimensional polymeric PbI nano ribbons and the guest organic moiety for future applications in nanoscaled electronic devices.     

High throughput drug screening by direct RNA profiling on DNA sensors

The feasibility of DNA microarray sensor technology as a routine technique of molecular pharmacology to perform high throughput drug screening and the advantages of directly labeled RNA for a high throughput experiment are presented in this paper. A novel, single-step direct chemical labeling method for DNA microarray target samples has been developed to reduce the sample amount, cost, time and error of the experiment by eliminating the need for enzyme mediated labeling. Reproducibility of the data for high throughput drug screening is demonstrated by monitoring differential gene expression of a set of 45 gene targets involved in the genotoxic stress response pathways.     

Cycloaddition profile of pentafulvenes with 3-oxidopyrylium betaine: experimental and theoretical investigations

A detailed investigation on the effect of solvent polarity, temperature, and microwave irradiation on periselectivity in cycloaddition reactions of pentafulvenes with 3-oxidopyrylium betaine is described. The base catalyzed generation of 3-oxidopyrylium betaine in CHCl₃ resulted in the exclusive formation of [6+3] adducts. With increase in solvent polarity and temperature, mixtures of [6+3] and [3+2] adducts were formed, where as under microwave irradiation, [3+2] adducts were formed exclusively. The experimental results have been rationalized on the basis of theoretical calculations.     

P and H NMR studies of the transesterification polymerization of polyphosphonate oligomers

Polymeric phosphonate esters are an interesting class of organophosphorus polymers because both the polymer backbone and phosphorus substituents can be modified. These polymers have been prepared by ring-opening polymerizations of cyclic phosphites, stoichiometric polycondensations of dimethyl phosphonate with diols in conjunction with diazomethane treatment and by transesterification of polyphosphonate oligomers. Our initial attempts to prepare high molecular weight polymeric phosphonate esters by the transesterification methods were unsuccessful. Results indicate that the reactions of dimethyl phosphonate with diols to form polyphosphonate oligomers with only methyl phosphonate end groups are plagued by a serious side reaction that forms phosphonic acid end groups. These end groups do not participate in the transesterification reaction and limit the molecular weights of the polymers that can be obtained. The phosphonic acid end groups can be converted into reactive methyl phosphonate end groups by treatment with diazomethane, however diazomethane is explosive and the polymerization is slow. An alternative route for the production of high molecular weight polymers is the transesterification of the 1,12-bis(methyl phosphonato)dodecane, formed by the reaction of excess dimethyl phosphonate and 1,12-dodecanediol, with a Na₂CO₃ promoter. This allows polymers with molecular weights of up to 4.5×10⁴ to be prepared, and no phosphonic acid end groups are observed in these polymers. Thermal analyses of the poly(1,12-dodecamethylene phosphonate) have shown that this polymer has reasonable thermal stability (onset of thermal decomposition at 273 °C). This polymer also undergoes a cold crystallization process at 15 °C similar to that which has been observed in some polyesters, polyamides and elastomers.     

Study of transfer of trace elements from soil to medicinal plants in the environment of Mangalore

The concentration of five trace elements Cr, As, Pb, Rb and Sr in seven medicinal plants Garcinia indica, Ficus benghalensis, Flacartia Montana, Nyctanthes arbor-tristis, Morinda citrifolia, Ficus recemosa, Barringtonia acutangula and associated soils were analyzed using ICP-MS. In plant the elemental concentrations of Cr, Pb, Rb and Sr vary widely and in soil the elemental concentrations of Cr, As and Sr showed wide variation. Selective enrichment of elements Rb and Sr was observed in some plants. The soil to plant transfer ratio was significant for Sr. The results of these systematic investigations are presented and discussed in this paper.