Numerical simulation of PRESS localized MR spectroscopy

Numerical simulations of NMR spectra can provide a rapid and convenient method for optimizing acquisition sequence parameters and generating prior spectral information required for parametric spectral analysis. For spatially resolved spectroscopy, spatially dependent variables affect the resultant spectral amplitudes and phases, which must therefore be taken into account in any spectral simulation model. In this study, methods for numerical simulation of spectra obtained using the PRESS localization pulse sequence are examined. A comparison is made between three different simulation models that include different levels of detail regarding the spatial distributions of the excitation functions, and spin evolution during application of the pulses. These methods were evaluated for measurement of spectra from J-coupled spin systems that are of interest for in vivo proton spectroscopy and results compared with experimental data. It is demonstrated that for optimized refocusing pulses it is sufficient to account for chemical shift effects only, although there is some advantage to implementing a more general numerical simulation approach that includes information on RF pulse excitation profiles, which provides sufficient accuracy while maintaining moderate computational requirements and flexibility to handle different spin systems.     

N-Acylbenzotriazole: convenient approach for protecting group-free monoacylation of symmetric diamines

Monatshefte für Chemie - Chemical Monthly - An efficient green route for monoacylation of aromatic diamines, namely o-phenylenediamine and p-phenylenediamine and aliphatic diamines...     

Structural and coordination studies of "pearl oysterlike" porphyrins

We report the coordination studies of porphyrins with pre-organized but yet flexible straps, each bearing over the center of the porphyrin either a 2,2-malonic acid diethyl ester residue or a 2,2-malonic acid residue. The straps are attached to the porphyrin via two adjacent meso positions, 5,10 and 15,20, respectively, and the 2,2-malonic acid diethyl ester groups are connected to the straps on benzylic carbon atoms. These two structural features allow a significant flexibility of the straps, as confirmed by the comparison of the X-ray structures of the zinc, nickel, and lead complexes of porphyrin 1. In the latter, the influence of the lone-electron pair of lead is clearly demonstrated. The coordination of bismuth is also reported.     

Investigation of spatial self-phase modulation of silver nanoparticles in clay suspension

We have investigated the spatial self-phase modulation (SSPM) phenomena in a clay suspension containing silver nanoparticles. Silver nanoparticles (Ag-NPs) were synthesized in the space of lamellar structure of montmorillonite (MMT) by using chemical reducing agent. The UV-vis spectra of the obtained Ag-NPs showed that the intensity surface plasmon resonance (SPR) peaks increase with increasing in concentration of AgNO₃. The results from Ag-NPs UV-vis spectra were in good agreement with the structure studies performed by TEM. The SSPM phenomena manifestation of the non-linear optical property appeared only when MMT suspension filled with Ag-NPs as shown in the existence of far-field pattern. This property increased with the increase of Ag-NPs concentration and limited to small range.     

Optical model analysis of p+6He scattering over a wide range of energy

Optical-model analysis of proton elastic scattering from ⁶He has been carried out for eight sets of elastic scattering data at energies, 24.5, 25.0, 36.2, 38.3, 40.9, 41.6, 71.0 and 82.3 MeV/n respectively. The vector analyzing power and differential cross section for the elastic scattering of ⁶He nucleus from polarized protons at 71 MeV have been analyzed in the framework of the optical model potentials. The data are, first, analyzed in term of phenomenological potentials using the Woods-Saxon form for the real and imaginary parts supplemented by a spin-orbit potential of Thomas form. The analysis has been also performed using microscopic complex potentials.     

Characterization and Applications of Red Mud,an Aluminum Industry Waste Material,in the Construction and Building Industries,as well as Catalysis

The disposal of red mud (RM), a waste material generated by the aluminum industry, remains a global environmental concern because of its high alkalinity and smaller particle size, which have the potential to pollute air, soil, and water. Recently, efforts have been made to develop a strategy for reusing industrial byproducts, such as RM, and turning waste into value-added products. The use of RM as (i) a supplementary cementitious material for construction and building materials, such as cement, concrete, bricks, ceramics, and geopolymers, and (ii) a catalyst is discussed in this review. Furthermore, the physical, chemical, mineralogical, structural, and thermal properties of RM, as well as its environmental impact, are also discussed in this review. It is possible to conclude that using RM in catalysis, cement, and construction industries is the most efficient way to recycle this byproduct on a large scale. However, the low cementitious properties of RM can be attributed to a reduction in the fresh and mechanical properties of composites incorporating RM. On the other hand, RM can be used as an efficient active catalyst to synthesize organic molecules and reduce air pollution, which not only makes use of solid waste but also lowers the price of the catalyst. The review provides basic information on the characterization of RM and its suitability in various applications, paving the way for more advanced research on the sustainable disposal of RM waste. Future research perspectives on the utilization of RM are also addressed.