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Electronic structure engineering of various structural phases of phosphorene
(Royal Society of Chemistry, 2016)
We report the tailoring of the electronic structures of various structural phases of phosphorene (?-P, ?-P, ?-P and ?-P) based homo- and hetero-bilayers through in-plane mechanical strains, vertical pressure and transverse ...
Shape-dependent electronic properties of blue phosphorene nano-flakes
(American Institute of Physics Inc., 2016)
In recent year's considerable attention has been given to the first principles method for modifying and controlling electronic properties of nano-materials. We performed DFT-based calculations on the electronic properties ...
Indole derivatives as anticancer agents for breast cancer therapy: A review
(Bentham Science Publishers B.V., 2016)
Breast cancer (BC) is the second most common cause of cancer-related deaths in women throughout the world. Multiple drugs have been approved by US-FDA for breast related malignancies. Frequent emergence of resistances ...
Synthesis of rebaudioside A from stevioside and their interaction model with hTAS2R4 bitter taste receptor
(Elsevier Ltd, 2016)
Steviol glycosides (SG's) from Stevia rebaudiana (Bertoni) have been used as a natural low-calorie sweeteners. Its aftertaste bitterness restricts its use for human consumption and limits its application in food and ...
Recent developments on the structure–activity relationship studies of MAO inhibitors and their role in different neurological disorders
(Royal Society of Chemistry, 2016)
Monoamine oxidase (MAO) enzyme catalyzes the oxidative deamination of xenobiotic and endogenous amines including many neurotransmitters. The MAO enzyme exists in two isoforms; MAO-A and MAO-B and these isoforms display ...
Tunable electronic and dielectric properties of b-phosphorene nanoflakes for optoelectronic applications
(Royal Society of Chemistry, 2016)
Since the discovery of α-phosphorene, it has drawn considerable attention because of its possible exfoliation as single layers. We report electronic and dielectric properties of β-phosphorene nanoflakes in various ...
2D-HfS 2 as an efficient photocatalyst for water splitting
(Royal Society of Chemistry, 2016)
Two dimensional monolayer nanostructures for water splitting solar photocatalysts are drawing more attention due to their extraordinary properties. Using first principles calculations we have systematically investigated ...
Energetics and Electronic Properties of Pt Wires of Different Topologies on Monolayer MoSe 2
(AIP Publishing, 2016)
The energetics and electronic properties of different of Pt wires including linear, zigzag and ladder structures on MoSe2 have been investigated in the framework of The predicted order of stability of Pt wire on MoSe2 is ...
Synthesis and biological evaluation of new 2, 5- dimethylthiophene/furan based N-acetyl pyrazolines as selective topoisomerase II inhibitors
(Royal Society of Chemistry, 2016)
Based on the reported pharmacophores as topoiomerase inhibitors, 2,5 dimethylthiophen/furan based N-acetyl pyrazolines were designed and envisaged as topoisomerase inhibitors. The target compounds were synthesized and ...
Interactions of Gas Molecules with Monolayer MoSe 2 : A First Principle Study
(AIP Publishing, 2016)
We present a first principle study of interaction of toxic gas molecules (NO, NO2 and SO2) with MoSe2. The predicted order of sensitivity of gas molecule is NO2 > SO2 > NO. strongly influence the electronic behaviour of ...