Synthesis and Characterization of Aminophosphines,Bis(amino)phosphine Derivatives,and Their Molybdenum(0) Complexes

Functionalized bis(amino)phosphines of the type PhP(NHR)₂ ( 1a–c ) and aminophosphines of the type Ph₂PNHR ( 2a–c ) have been synthesized by treating PhPCl₂ or Ph₂PCl with corresponding primary amines of H₂N-R where R = -CH₂SO₃H, -C₆H₄SO₃H, and benzo-15-crown-5. The molybdenum(0) complex of the aminophosphine ( 3 ) has been obtained by reacting cis-[Mo(CO)₄(bipy)] with aminophosphine ( 2c ). The synthesized aminophosphines, bis(amino)phosphines, and the molybdenum(0) complex have been characterized by IR, ¹H NMR, ³¹P NMR, and MS spectroscopic techniques and by elemental analysis.     

Structural characterization of dodecyltrimethylammonium (DTMA) bromide modified sepiolite and its adsorption isotherm studies

In this study, dodecyltrimethylammonium (DTMA) bromide was used to modify natural sepiolite via an ion exchange reaction to form DTMA-sepiolite. Sepiolite and DTMA-sepiolite were then characterized by using Brunauer–Emmett–Teller (BET), elemental analysis, XRD, FT-IR, thermogravimetric (TG) and zeta potential analysis techniques. The BET surface area of sepiolite significantly decreased from 152.14 m² g^–1 to 88.63 m² g^–1, after the modification, due to the coverage of the pores of sepiolite. DTMA was located onto sepiolite according to the differential thermogravimetric (dTG) peaks of DTMA-sepiolite. XRD results confirmed the interaction between DTMA⁺ cations and sepiolite. FT-IR spectra indicated the existence of DTMA functional groups on sepiolite surface. After the characterization was accomplished, adsorption isotherm studies of naphthalene, which is the first member of the polycyclic aromatic hydrocarbons (PAHs), were carried out. The maximum adsorption capacity of DTMA-sepiolite for naphthalene was determined from Langmuir isotherm equation at pH 6 and 20 °C as 1.88 × 10^–4 mol g^?1 or 24.09 mg g^?1.     

Unique Path Partitions: Characterization and Congruences

We give a complete classification of the unique path partitions and study congruence properties of the function which enumerates such partitions.     

Cluster integrals of convex molecule systems

Cluster integrals assigned to particles interacting via the Kihara non-spherical potential are studied theoretically. An exact formula is derived which allows one to consider the effect of molecular shape separately from the effect of soft interactions. Employing the proposed formalism, the cluster integrals are analysed. The approach is applied to determine the third virial coefficient and an efficient computational method is developed. The third virial coefficient was calculated for a combination of molecules with hard cores of prolate spher-ocylindrical- and spherical shapes interacting via the square-well, triangle-well and 12-6 pair potentials. Comparison with numerical results obtained by Monte Carlo integration is made and fair agreement is found.     

Assessment of high-resolution methods for numerical simulations of compressible turbulence with shock waves

Flows in which shock waves and turbulence are present and interact dynamically occur in a wide range of applications, including inertial confinement fusion, supernovae explosion, and scramjet propulsion. Accurate simulations of such problems are challenging because of the contradictory requirements of numerical methods used to simulate turbulence, which must minimize any numerical dissipation that would otherwise overwhelm the small scales, and shock-capturing schemes, which introduce numerical dissipation to stabilize the solution. The objective of the present work is to evaluate the performance of several numerical methods capable of simultaneously handling turbulence and shock waves. A comprehensive range of high-resolution methods (WENO, hybrid WENO/central difference, artificial diffusivity, adaptive characteristic-based filter, and shock fitting) and suite of test cases (Taylor–Green vortex, Shu–Osher problem, shock-vorticity/entropy wave interaction, Noh problem, compressible isotropic turbulence) relevant to problems with shocks and turbulence are considered. The results indicate that the WENO methods provide sharp shock profiles, but overwhelm the physical dissipation. The hybrid method is minimally dissipative and leads to sharp shocks and well-resolved broadband turbulence, but relies on an appropriate shock sensor. Artificial diffusivity methods in which the artificial bulk viscosity is based on the magnitude of the strain-rate tensor resolve vortical structures well but damp dilatational modes in compressible turbulence; dilatation-based artificial bulk viscosity methods significantly improve this behavior. For well-defined shocks, the shock fitting approach yields good results.     

Hypercoordination in Organotin Chemistry – A Novel O,C,O-Coordinating Ligand

Recent results are reported on the application of the novel O,C,O-coordinating pincer ligand {2,6-[P(O)(OEt)₂]₂-4-tert-Bu-C₆H₂} (A) for the synthesis of hypercoordinate organotin(IV) compounds ASnR₃ (R = Ph, Cl), heteroleptic stannylenes ASnR (R = Cl, CH₂SiMe3) and intramolecularly coordinated 1,2,5-oxaphosphastannolanes.     

Synthesis and Antimicrobial Activities of Some 1-[(N,N-Disubstitutedthiocarbamoylthio)acetyl]-3,5-diaryl-2-pyrazolines

The increasing clinical importance of drug-resistant fungal and bacterial pathogens has lent additional urgency to microbiological research and new antimicrobial compound development. For this purpose, new pyrazoline derivatives were synthesized and evaluated for antimicrobial activity.

Some 1-[(N, N-disubstitutedthiocarbamoylthio)acetyl]-3,5-diaryl-2-pyrazolines derivatives were synthesized by reacting 1-(chloroacetyl)-3,5-diaryl-2-pyrazolines with appropriate potassium salts of secondary amine dithiocarbamic acids. The chemical structures of the compounds were elucidated by IR, ¹ H-NMR, and FAB⁺-MS spectral data. Their antimicrobial activities against Staphylococcus aureus (B-767), Escherichia coli (B-3704), Pseudomonas aeruginosa (ATCC 27853), Proteus vulgaris (NRLL B-123), and Candida albicans (NRRL-27077) were investigated. The results showed that some of the compounds have notable activity against S. aureus and C. albicans.