Two photon exchange contributions to elastic $\vec{e}+p\rightarrow e+\vec{p}$ process in the non-local field formalism

We compute the two photon exchange contributions to elastic scattering of polarized electrons from target protons. We use a non-local field theory formalism for this calculation. The formalism maintains gauge invariance and provides a systematic procedure for making this calculation. The results depend on one unknown parameter, . We compute the two photon exchange correction to the ratio of electric to magnetic form factors extracted using polarization transfer experiments. The correction is found to be small if . However, for larger values of , the correction can be quite significant. The correction to the polarization transfer results goes in the right direction to explain their difference with the ratio measured by the Rosenbluth separation method. We find that the difference between the two experimental results can be explained for a wide range of values of the parameter . We also find that the corrections due to two photon exchange depend on the photon longitudinal polarization ε. Hence, we predict an ε dependence of the form factor ratio extracted using the polarization transfer technique. Finally, we obtain a limit on by requiring that the non-linearity in ε dependence of the unpolarized reduced cross section is within experimental errors.     

Structural and magnetic properties of a syn-anti carboxylate bridged one-dimensional copper(II) complex with ferromagnetic exchange interaction

The compound [Cu(phen)(O₂CCF₃)₂]_n (phen = 1,10-phenanthroline) has been synthesized and its crystal structure determined. It crystallizes in monoclinic space group C2/c, with a = 19.229(7), b = 11.281(5), c = 7.621(2) Å, = 104.305(12)°, and Z = 4. The crystal structure is polymeric, being built from infinite zigzag chains of trifluoroacetate bridged copper(II), with the phenanthroline ligands being stacked between the chains. The variable-temperature (13–300 K) magnetic susceptibility and ESR data are reported and a weak ferromagnetic exchange interaction is observed with the exchange parameter estimated as J = 2.9 cm^–1.     

Novel glitazones as PPARγ agonists: molecular design,synthesis, glucose uptake activity and 3D QSAR studies

Background

An alarming requirement for finding newer antidiabetic glitazones as agonists to PPARγ are on its utmost need from past few years as the side effects associated with the available drug therapy is dreadful. In this context, herein, we have made an attempt to develop some novel glitazones as PPARγ agonists, by rational and computer aided drug design approach by implementing the principles of bioisosterism. The designed glitazones are scored for similarity with the developed 3D pharmacophore model and subjected for docking studies against PPARγ proteins. Synthesized by adopting appropriate synthetic methodology and evaluated for in vitro cytotoxicity and glucose uptake assay. Illustrations about the molecular design of glitazones, synthesis, analysis, glucose uptake activity and SAR via 3D QSAR studies are reported.

Results

The computationally designed and synthesized ligands such as 2-(4-((substituted phenylimino)methyl)phenoxy)acetic acid derivatives were analysed by IR, ¹H-NMR, ¹³C-NMR and MS-spectral techniques. The synthesized compounds were evaluated for their in vitro cytotoxicity and glucose uptake assay on 3T3-L1 and L6 cells. Further the activity data was used to develop 3D QSAR model to establish structure activity relationships for glucose uptake activity via CoMSIA studies.

Conclusion

The results of pharmacophore, molecular docking study and in vitro evaluation of synthesized compounds were found to be in good correlation. Specifically, CPD03, 07, 08, 18, 19, 21 and 24 are the candidate glitazones exhibited significant glucose uptake activity. 3D-QSAR model revealed the scope for possible further modifications as part of optimisation to find potent anti-diabetic agents.

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Crystal structure of tylophorine methiodide monohydrate,C25H30NO 4 + I−·H2O

The crystal structure of tylophorine (Chemical name 2,3,6,7 tetramethoxy phenanthro [9,10:6, 7] indolizidine. Contribution No. 0871.) methiodide monohydrate has been determined. C₂₅H₃₀NO ₄ ⁺ I^–·H₂0, triclinic, P,a=8.831(1)Å, b=10.842(2),c=13.902(2), =105.0(1)^o, =104.7(1), =97.3(1),V=1210.22ų, Z=2,D _x =1.428 g./cm^–3, (CuK)=1.54184Å, (CUK)=107.2 cm^–1, F(000)=544,T=295^oK,R=0.038,Rw=0.046, for 2331 observed reflections withI2(I). Apart from van der Waals forces, the structure is stabilized by two hydrogen bonds of the type Ow(H) ... O and Ow(H) ... I^– involving the water molecule as the donor and atom O4 of the methoxy group and I^– as acceptors.     

Physicochemical studies on the interaction of gelatin with cationic surfactants alkyltrimethylammonium Bromides (ATABs) with special focus on the behavior of the hexadecyl homologue

The interaction of a denatured interfacially active protein, gelatin (G) (at pH 9, above its isoelectric pH 4.84, and ionic strength mu=0.005), with a cationic amphiphile, hexadecyl (or cetyl) trimethylammonium bromide, CTAB, has been elaborately studied using a variety of techniques. Two types of protein-surfactant complexes at a concentration below the normal critical micellar concentration (cmc) were formed in solution. The first, G-CTAB (monomer) combined complex (GS(n)(I)) adsorbed at the air/solution interface, followed by its gradual transformation to the poor interfacially active second G-CTAB (aggregate) complex (GS(m)(B)) at a critical aggregation concentration (cac) of the interacting oppositely charged surfactant. In the higher concentration range, upon completion of GS(m)(B) formation, coacervation (association of GS(m)(B)) led to add turbidity. With increasing addition of CTAB, the coacervates became disintegrated and ultimately remained dissolved in the free micellar solution of CTAB. The above features were studied using the techniques of tensiometry, conductometry, turbidimetry, fluorimetry, and microcalorimetry. The interaction features were prominent at [G] >or= 0.05 g %, and several of these were either marginal or absent at [G]<0.05 g %. The denatured protein was found to form viscous as well as gel-forming consistencies at higher [G] and at lower temperature. A temperature variation study on the interaction of G with CTAB has revealed that enhanced interaction takes place at higher temperature. The effect of [G] on its interaction with cationic surfactants of varying chain length in the alkyltrimethylammonium bromide (ATAB) series has been also studied; a similar interactional profile as that of CTAB has been exhibited by octadecyltrimethylammonium bromide; however, the lower homologues (dodecyl- and tetradecyl-) of ATAB have offered different profiles. It has been found that the ATABs with higher alkyl chain lengths were more interactive with negatively charged G than their lower homologues. Quantification of the results in terms of different transition points, counterion binding of the protein-bound surfactant aggregates and free micelles, the enthalpy of binding interactions and energetics of ATAB micellization, and so forth have been studied. The results have been rationalized in terms of an interaction model.     

Microtrapping characteristics of single and multi-walled carbon nanotubes

Carbon nanotubes (CNTs) possess some highly desirable sorbent characteristics, which make them attractive for a variety of applications including micro-scale preconcentration. The main advantage of CNTs is that they are non-porous, thus eliminating the mass transfer resistance related to diffusion into pore structures. Their high aspects ratio leads to large specific capacity, consequently they have the potential to be the next generation high performance sorbent. In this paper we present the microtrapping. The objective of this paper was to study the sorption of select organic compounds on single and multi-walled nanotubes either packed or self-assembled onto a micro-sorbent trap. The data show that the CNTs show highly favorable adsorption as well as desorption. The former is characterized by relatively large breakthrough volumes and isosteric heats of adsorption (DeltaH(s), close to 64 kJ/mol). Similarly, rapid desorption from CNTs was demonstrated by narrow desorption bandwidth. The elimination of non-tubular carbons (NTC) from the CNT surface is important, as they reduce the performance of these sorbents.     

Variation in coordinative property of two different N<Subscript>2</Subscript>O<Subscript>2</Subscript> donor Schiff base ligands with nickel(II) and cobalt(III) ions: characterisation and single crystal structure elucidation

A nickel(II) and a cobalt(III) complex of two different potentially tetradentate Schiff bases with different binding modes have been synthesised. The nickel(II) complex [NiL¹] · CH₃OH (1) was formed, on reacting the metal salt with a perfectly symmetrical N₂O₂ tetradentate Schiff base ligand H ₂ L ¹ , which is the 1:2 condensation product of 1,3-diamino propane and 2-hydroxyacetophenone. The cobalt(III) complex [Co(HL²)₃] · (ClO₄)₃ · H₂O (2) was synthesised using an asymmetric N₂O₂ tetradentate Schiff base ligand HL ² on condensing N,N-dimethyl-1,3-diamino propane with o-vanillin in 1:1 mmol ratio. Although both Schiff bases are N₂O₂ functionalised, they showed variation in their coordinative property with nickel(II) and cobalt(III) ions. Both the complexes were characterised by IR spectroscopy and cyclic voltammetry and their single crystal structures clearly indicate that 1 is a mononuclear species whereas 2 is a hydrogen-bonded dimer.