Asymmetric Synthesis of Simplactones A and B

A new, simple, and short route for the synthesis of simplactones A ( 1 ) and B ( 2 ) was achieved from a synthetically prepared chiral auxiliary, i.e., the Oppolzer camphor‐derived sultam 4 , and (4‐methoxybenzyl)‐protected 3‐hydroxypropanal, in 52 and 48% overall yield, respectively, and with high diastereoselectivity (Schemes 2 and 3).     

Application of INAA to ancient bricks for grouping study using trace elements

The paper presents the chemical composition analysis results of 57 ancient clay bricks obtained from Buddhist sites of two major locations of Andhra Pradesh, India. Samples were analyzed by instrumental neutron activation analysis (INAA) using high flux reactor neutrons and high resolution gamma ray spectrometry. Major, minor and trace concentrations of 23 elements were determined by relative method of NAA. For the grouping/provenance study, statistical cluster analysis was performed using concentrations of 14 selected elements namely Sc, Cr, Fe, Co, Zn, Cs, La, Ce, Eu, Tb, Yb, Lu, Ta and Th. The cluster analysis results indicated two major groups, which are in good agreement with the collection history of samples. Accuracy of the method was evaluated by analyzing two IAEA reference materials, RMs SL-1 and Soil-7.     

Sulfonamides and carbamates of 3-fluoro-4-morpholinoaniline (linezolid intermediate): synthesis,antimicrobial activity and molecular docking study

Research on Chemical Intermediates - The precursor compound 3-fluoro-4-morpholinoaniline (7) is an important intermediate of the antibiotic drug linezolid and was synthesized initially by the...     

Energy and charge transfer dynamics in fully decorated benzyl ether dendrimers and their disubstituted analogues

We examine the photophysics of a series of molecules consisting of a benzthiadiazole core surrounded by a network of benzyl ether arms terminated by aminopyrene chromophores, which function as both energy and electron donors. Three classes of molecules are studied: dendrimers whose peripheries are fully decorated with aminopyrene donors (F), disubstituted dendrimers whose peripheries contain only two donors (D), and linear analogues in which a pair of benzyl ether arms link two donors to the central core (L). The electronic energy transfer (EET) and charge transfer (CT) rates are determined by fluorescence lifetime measurements on the energy donors and electron acceptors, respectively. In all three types of molecules, the EET time scales as the square root of the generation number G, consistent with the flexible nature of the benzyl ether framework. Transient anisotropy measurements confirm that donor-donor energy hopping does not play a major role in determining the EET times. The CT dynamics occur on the nanosecond time scale and lead to stretched exponential decays, probably due to conformational disorder. Measurements at 100 degrees C confirm that conformational fluctuations play a role in the CT dynamics. The average CT time increases with G in the L and D molecules but decreases for the F dendrimers. This divergent behavior as G increases is attributed to the competing effects of larger donor-acceptor distances (which lengthen the CT time) versus a larger number of donors (which shorten the average CT time). This work illustrates two important points about light-harvesting and charge-separation dendrimers. First, the use of a flexible dendrimer framework can lead to a more favorable scaling of the EET time (and thus the light-harvesting efficiency) with dendrimer size, relative to what would be expected for a fully extended dendrimer. Second, fully decorated dendrimers can compensate for the distance-dependent slowdown in CT rate as G increases by providing additional pathways for the CT reaction to occur.     

Analysis of thermal,oxidative and cold flow properties of methyl and ethyl esters prepared from soybean and mustard oils

Oilseed crop with high oil content and promising ecological adaptability are potential sources for competitive biodiesel production. This study investigates the scope of utilizing biodiesel development through the methyl and ethyl ester from soybean and mustard oil as an alternative fuel. Methyl and ethyl esters of oils having different fatty acids compositions such as soybean (SOME and SOEE) and mustard oil (MUME and MUEE) were prepared by transesterification with methanol and ethanol in the presence of an alkali-KOH catalyst. The gas chromatographic (GC) analysis of oil samples revealed that primary fatty acid composition in soybean oil was linoleic acid (C_18:2, 51.93%), followed by oleic acid (C_18:1, 22.82%), palmitic acid (C_16:0, 11.56%), linolenic acid (C_18:3, 5.95%) and stearic acid (C_18:0, 4.32%). Whereas, the main components in mustard oil were erucic acid (C_22:1, 32.81%), oleic acid (C_18:1, 24.98%), eicosenoic acid (C_20:1, 10.44%), linolenic acid (C_18:3, 8.61%) and palmitic acid (C_16:0, 2.80%). The physicochemical properties (acid value, iodine value, calorific value, flash point, pour point etc.) of methyl and ethyl ester samples were estimated and found to be within the acceptable range of ASTM D6751 standards specifications. The prepared esters and oil samples were examined for cold flow properties by differential scanning calorimetry (DSC). Results revealed better cold flow properties for MUME (−2.55 °C) and MUEE (−3.10 °C) than SOME (3.21 °C) and SOEE (1.83 °C) due to more unsaturated fatty acid content in MU. Thermal and oxidative stability of samples was determined by thermogravimetric analysis (TG) and differential thermal analysis (DTA). The thermal and oxidative stability ranking of the samples was in the order of oil > methyl esters > ethyl esters.

     

Phase-referenced interferometer with subwavelength and subhertz sensitivity applied to the study of cell membrane dynamics

We report a highly sensitive means of measuring cellular dynamics with a novel interferometer that can measure motional phase changes. The system is based on a modified Michelson interferometer with a composite laser beam of 1550-nm low-coherence light and 775-nm CW light. The sample is prepared on a coverslip that is highly reflective at 775 nm. By referencing the heterodyne phase of the 1550-nm light reflected from the sample to that of the 775-nm light reflected from the coverslip, small motions in the sample are detected, and motional artifacts from vibrations in the interferometer are completely eliminated. We demonstrate that the system is sensitive to motions as small as 3.6 nm and velocities as small as 1 nm/s. Using the instrument, we study transient volume changes of a few (approximately three) cells in a monolayer immersed in weakly hypotonic and hypertonic solutions.     

Optical bistability induced by mirror absorption: measurement of absorption coefficients at the sub-ppm level

We have observed optical bistability caused by absorption-induced thermal expansion of mirrors forming a Fabry-Perot interferometer. From the resulting anomalous transmission line shapes, absorption coefficients of the mirror coatings as low as 0.2parts in 10(6) (ppm) have been successfully measured.     

A multi-orbital iterated perturbation theory for model Hamiltonians and real material-specific calculations of correlated systems

The dynamical mean field theory (DMFT) has emerged as one of the most importantframeworks for theoretical investigations of strongly correlated lattice models and realmaterial systems. Within DMFT, a lattice model can be mapped onto the problem of amagnetic impurity embedded in a self-consistently determined bath. The solution of thisimpurity problem is the most challenging step in this framework. The available numericallyexact methods such as quantum Monte Carlo, numerical renormalization group or exactdiagonalization are naturally unbiased and accurate, but are computationally expensive.Thus, approximate methods, based e.g. on diagrammatic perturbation theory have gainedsubstantial importance. Although such methods are not always reliable in various parameterregimes such as in the proximity of phase transitions or for strong coupling, theadvantages they offer, in terms of being computationally inexpensive, with real frequencyoutput at zero and finite temperatures, compensate for their deficiencies and offer aquick, qualitative analysis of the system behavior. In this work, we have developed such amethod, that can be classified as a multi-orbital iterated perturbation theory (MO-IPT) tostudy N-folddegenerate and non degenerate Anderson impurity models. As applications of the solver, wehave embedded the MO-IPT within DMFT and explored lattice models like the single orbitalHubbard model, covalent band insulator and the multi-orbital Hubbard model fordensity-density type interactions in different parameter regimes. The Hund’s couplingeffects in case of multiple orbitals is also studied. The limitations and quality ofresults are gauged through extensive comparison with data from the numerically exactcontinuous time quantum Monte Carlo method (CTQMC). In the case of the single orbitalHubbard model, covalent band insulators and non degenerate multi-orbital Hubbard models,we obtained an excellent agreement between the Matsubara self-energies of MO-IPT andCTQMC. But for the degenerate multi-orbital Hubbard model, we observe that the agreementwith CTQMC results gets better as we move away from particle-hole symmetry. We have alsointegrated MO-IPT+DMFT with density functional theory based electronic structure methodsto study real material systems. As a test case, we have studied the classic, stronglycorrelated electronic material, SrVO₃. A comparison of density of states and photo emissionspectrum (PES) with results obtained from different impurity solvers and experimentsyields good agreement.     

Enhanced dielectric and magnetic properties of Cr / Co and Mn co-doped single phase multiferroic bismuth ferrite nanoparticles

Multiferroic nanoparticles of single-phase bismuth ferrite (BiFeO₃ or BFO) by choosing transition metal ions of chromium (Cr)/cobalt (Co) in A-sites and manganese (Mn) in B-sites were synthesized by using sol-gel autocombustion method. X-ray diffraction (XRD) data reveal the existence of rhombohedrally distorted perovskite structure for all the samples. High resolution transmission electron microscopy (HRTEM), scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDAX) studies were carried out to estimate the particle size, morphology along with the chemical purity of the samples. Dielectric studies as a function of frequency and temperature resemble typical space charge polarization with almost negligible dielectric losses in the doped samples. Magnetic measurements using vibrating sample magnetometer reveals the considerable enhancement in the magnetic order in Co/Cr and Mn co-doped samples. The obtained structural, microstructural, dielectric and magnetic results were well recommended that the influence of co-doping in BFO will certainly modify its spin cycloid structure and hence enhanced properties in these doped samples. Thus, these co-doped samples were suggested to be well suitable for the multifunctional based devices such as spintronic, multifunctional memories, and for sensors.