Thiourea Derivatives,Simple in Structure but Efficient Enzyme Inhibitors and Mercury Sensors

In this study six unsymmetrical thiourea derivatives, 1-isobutyl-3-cyclohexylthiourea (1), 1-tert-butyl-3-cyclohexylthiourea (2), 1-(3-chlorophenyl)-3-cyclohexylthiourea (3), 1-(1,1-dibutyl)-3-phenylthiourea (4), 1-(2-chlorophenyl)-3-phenylthiourea (5) and 1-(4-chlorophenyl)-3-phenylthiourea (6) were obtained in the laboratory under aerobic conditions. Compounds 3 and 4 are crystalline and their structure was determined for their single crystal. Compounds 3 is monoclinic system with space group P2₁/n while compound 4 is trigonal, space group R³:H. Compounds (1–6) were tested for their anti-cholinesterase activity against acetylcholinesterase and butyrylcholinesterase (hereafter abbreviated as, AChE and BChE, respectively). Potentials (all compounds) as sensing probes for determination of deadly toxic metal (mercury) using spectrofluorimetric technique were also investigated. Compound 3 exhibited better enzyme inhibition IC₅₀ values of 50, and 60 µg/mL against AChE and BChE with docking score of −10.01, and −8.04 kJ/mol, respectively. The compound also showed moderate sensitivity during fluorescence studies.     

Dynamic analysis of a simply supported beam resting on a nonlinear elastic foundation under compressive axial load using nonlinear normal modes techniques under three-to-one internal resonance condition

In this paper, the Nonlinear Normal Modes (NNMs) analysis for the case of three-to-one (3:1) internal resonance of a slender simply supported beam in presence of compressive axial load resting on a nonlinear elastic foundation is studied. Using the Euler?CBernoulli beam model, the governing nonlinear PDE of the beam??s transverse vibration and also its associated boundary conditions are extracted. These nonlinear motion equation and boundary condition relations are solved simultaneously using four different approximate-analytical solution techniques, namely the method of Multiple Time Scales, the method of Normal Forms, the method of Shaw and Pierre, and the method of King and Vakakis. The obtained results at this stage using four different methods which are all in time?Cspace domain are compared and it is concluded that all the methods result in a similar answer for the amplitude part of the transverse vibration. At the next step, the nonlinear normal modes are obtained. Furthermore, the effect of axial compressive force in the dynamic analysis of such a beam is studied. Finally, under three-to-one-internal resonance condition the NNMs of the beam and the steady-state stability analysis are performed. Then the effect of changing the values of different parameters on the beam??s dynamic response is also considered. Moreover, 3-D plots of stability analysis in the steady-state condition and the beam??s amplitude frequency response curves are presented.     

Rovibrational spectroscopy and intramolecular dynamics of 1,2-trans-d(2)-ethene in the first C-H stretch overtone region

The first overtone region of the C-H stretching vibration of 1,2-trans-d(2)-ethene (HDC=CDH) was monitored via jet-cooled action spectroscopy and room temperature photoacoustic spectroscopy. The spectra include a strong band, which we assigned as the nu(1)+nu(9) C-H stretch vibration, and five additional bands related to transitions to coupled states. The spectral features were modeled in terms of a six-state deperturbation analysis, revealing the energies of the zero-order states and the relatively strong couplings between the initially excited nu(1)+nu(9) state and the doorway states. Considering these energies and the fundamental frequencies of 1,2-trans-d(2)-ethene and presuming that only low-order resonances are involved in the couplings enabled the assignment of the states. The analysis also allowed obtaining insight on energy flow and to find out that the energy oscillations between the C-H stretch state and the doorway states occur on a subpicosecond time scale.     

New Epoxydammarane Triterpenes from Salvia santolinifolia

Three new 20,24‐epoxydammarane triterpenes, santolins A–C ( 1 – 3 ), were isolated from the AcOEt‐soluble fraction of the MeOH extract of Salvia santolinifolia (whole plant). Their structures were assigned based on ¹H‐NMR, ¹³C‐NMR (DEPT), and 2D‐NMR analyses, in combination with HR‐MS experiments and comparison with literature data of related compounds.     

The Effect of Wall Material Type on the Encapsulation Efficiency and Oxidative Stability of Fish Oils

Fish oil is the primary source of long-chain omega-3 fatty acids, which are important nutrients that assist in the prevention and treatment of heart disease and have many health benefits. It also contains vitamins that are lipid-soluble, such as vitamins A and D. This work aimed to determine how the wall material composition influenced the encapsulation efficiency and oxidative stability of omega fish oils in spray-dried microcapsules. In this study, mackerel, sardine waste oil, and sand smelt fish oil were encapsulated in three different wall materials (whey protein, gum Arabic (AG), and maltodextrin) by conventional spray-drying. The effect of the different wall materials on the encapsulation efficiency (EE), flowability, and oxidative stability of encapsulated oils during storage at 4 °C was investigated. All three encapsulating agents provided a highly protective effect against the oxidative deterioration of the encapsulated oils. Whey protein was found to be the most effective encapsulated agent comparing to gum Arabic and maltodextrin. The results indicated that whey protein recorded the highest encapsulation efficiency compared to the gum Arabic and maltodextrin in all encapsulated samples with EE of 71.71%, 68.61%, and 64.71% for sand smelt, mackerel, and sardine oil, respectively. Unencapsulated fish oil samples (control) recorded peroxide values (PV) of 33.19, 40.64, and 47.76 meq/kg oil for sand smelt, mackerel, and sardine oils after 35 days of storage, while all the encapsulated samples showed PV less than 10 in the same storage period. It could be concluded that all the encapsulating agents provided a protective effect to the encapsulated fish oil and elongated the shelf life of it comparing to the untreated oil sample (control). The results suggest that encapsulation of fish oil is beneficial for its oxidative stability and its uses in the production of functional foods.     

Effects of correlated disorder on the magneto‐transport in colossal magnetoresistance manganites

Monte‐Carlo simulations predict that a local correlated disorder is responsible for many of the novel transport and magnetic properties of colossal magnetoresistance (CMR) materials such as manganites. One important prediction of these models is that the resistivity at the metal–insulator transition (MIT) in manganites depends strongly on the correlated quenched disorder. However, experimental confirmation has been challenging since it is difficult to control the amount of disorder in these compounds. We carried out experiments on Sm_0.55Sr_0.45MnO₃, a prototypical CMR manganite with a sharp MIT, whereby the oxygen‐related disorder is systematically enhanced by low temperature thermal activation. We observe dramatic changes in the temperature dependence of resistivity at the MIT as the amount of quenched disorder is increased, occurring in a manner that is in agreement with theoretical predictions.

     

Ring opening of unprotected aziridines by zinc selenolates in a biphasic system

A set of chiral β-seleno amines were prepared by the ring-opening reaction of unprotected aziridines. Under acid conditions diaryl or dialkyl diselenides were reduced by zinc and treated with unprotected aziridines to produce the desired products in good yields. Chiral β-telluro amine was also obtained using this method.     

Vibrationally mediated photodissociation of ethene isotopic variants preexcited to the fourth C-H stretch overtone

H and D photofragments produced via vibrationally mediated photodissociation of jet-cooled normal ethene (C2H4), 1,2-trans-d2-ethene (HDCCDH), and 1,1-d2-ethene (CH2CD2), initially excited to the fourth C-H stretch overtone region, were studied for the first time. H and D vibrational action spectra and Doppler profiles were measured. The action spectra include partially resolved features due to rotational cooling, while the monitored room temperature photoacoustic spectra exhibit only a very broad feature in each species. Simulation of the spectral contours allowed determination of the band types and origins, limited precision rotational constants, and linewidths, providing time scales for energy redistribution. The H and D Doppler profiles correspond to low average translational energies and show slight preferential C-H over C-D bond cleavage in the deuterated variants. The propensities toward H photofragments emerge even though the energy flow out of the initially prepared C-H stretch is on a picosecond time scale and the photodissociation occurs following internal conversion, indicating a more effective release of the light H atoms.     

Analysis of Heat and Mass Transfer in a Vertical Annular Porous Cylinder Using FEM

The present study is intended to study heat and mass transfer in a vertical annular cylinder embedded with saturated porous medium. The inner surface of cylinder is maintained at uniform wall temperature and uniform wall concentration. The governing partial differential equations are non-dimensionalised and solved by using finite element method (FEM). The porous medium is discritised using triangular elements with uneven element size. Large number of smaller-sized elements are placed near the walls of the annulus to capture the smallest variation in solution parameters. The results are reported for both aiding and opposing flows. The effects of various non-dimensional numbers such as buoyancy ratio, Lewis number, Rayleigh number, aspect ratio, etc on heat and mass transfer are discussed. The temperature and concentration profiles are presented.