Gemini surfactants at the air/water interface: a fully atomistic molecular dynamics study

Gemini surfactants typically consist of two single-chain surfactants chemically linked by a spacer molecule. We report herein the results of fully atomistic molecular dynamics (MD) simulations of a series of Gemini surfactants: CsH2s-alpha,omega-bis(C12H25N+(CH3)2Cl-), at the air/water interface with s = 3, 4, 6, 12, 14, and 16, at values of the initial surface area per surfactant AS = 70 A2, 77 A2, 95 A2, 151 A2, 133 A2, and 103 A2, respectively. The AS values employed were obtained from surface tension and neutron reflection experiments at the respective cmc of each surfactant. The Gemini surfactant corresponding to s = 3 was also simulated at AS = 105 A2, which is the experimentally derived value of surface area per surfactant at 1/10th of cmc. Only the surfactants with s = 12 and 14 and the surfactant with s = 3 at AS = 105 A2 gave a stable monolayer at the air/water interface. In other cases, we observe movement of some surfactant molecules from the air/water interface into the aqueous phase, resulting in a stable primary monolayer of surfactants at the air/water interface and a small concentration of surfactant molecules below it. The latter form aggregates, with their hydrophobic chains in the core. The density profiles along the normal to the interface are compared with the ones obtained from neutron reflection experiments. The MD simulations confirm the bending of the spacer toward the hydrophobic chains as the spacer length is increased and the spacer becomes more hydrophobic. The simulations have helped to shed light on the low-resolution picture which emerges from experimental analyses.     

Cinnamomum tamala leaf extract-mediated green synthesis of Ag nanoparticles and their use in pyranopyrazles synthesis

A novel, biochemical, and eco-friendly method has been developed for the synthesis of Ag nanopar-ticles using an aqueous leaf extract of readily accessibleCinnamomum tamala as reducing and stabi-lizing agents. These Ag nanoparticles were used to catalyze the synthesis of pyranopyrazoles. The green nature and ease of recovery and reusability of the catalyst, together with high yields of prod-ucts, make this protocol attractive and useful.     

A new green approach for the synthesis of 12-aryl-8,9,10,12-tetrahydrobenzo[a]xanthene-11-one derivatives using task specific acidic ionic liquid[NMP]H_2PO_4

12-Aryl-8,9,10,12-tetrahydrobenzo[a]xanthene-11-one derivatives were synthesized by a convenient and environmentally benign procedure involving multicomponent condensation reactions of substituted aromatic aldehydes with 2,7-dihydroxynaphthalene/2-naphthols/2,6-dihydroxynaphthlene and cyclic 1,3-dicarbonyl compounds in task specific acidic ionic liquid[NMP]H_2PO_4 at 80 ℃.This protocol has proved to be efficient in terms of good yields,operational simplicity,easy workup,recyclability of reaction medium/catalyst,and short reaction time.     

Nickel boride mediated reductive desulfurization of 2‐thioxo‐4(3H)‐quinazolinones: A new synthesis of quinazolin‐4(3H)‐ones and 2,3‐dihydro‐4(1H)‐quinazolinones

A novel one‐pot approach for the synthesis of aryl substituted quinazolin‐4(3H)‐ones and 2,3‐dihydro‐4(1H)‐quinazolinones has been reported based on the reductive desulfurization of 3‐aryl‐2‐thioxo‐4(3H)‐quinazolinones with nickel boride in dry methanol at ambient temperature.     

Clean matrices and unit-regular matrices

An element in a ring R is said to be clean (respectively unit-regular) if it is the sum (respectively product) of an idempotent element and an invertible element. If all elements in R are unit-regular, it is known that all elements in R are clean. In this note, we show that a single unit-regular element in a ring need not be clean. More generally, a criterion is given for a matrix to be clean in a matrix ring M₂(K) over any commutative ring K. For K=Z, this criterion shows, for instance, that the unit-regular matrix is not clean. Also, this turns out to be the “smallest” such example.     

Microwave‐Mediated Debromination of vicinal‐Dibromides

Debromination of vicinal‐dibromides to E‐alkenes is reported using inorganic solid supports (silica gel or acidic alumina) under microwave irradiation.     

Spectroscopic investigation of light strange S =-1 A and ∑ and S =-2 [I] baryons

The present study is dedicated to light-strange A with strangeness S =-1 and isospin I =0,∑ with S =-1 and I =1,and[I]baryon with S =-2 and I =1/2.In this study...