Untersuchungen zur Struktur des Kerns23Ne

Low-lying states of²³Ne up to about 3 MeV excitation energy have been investigated by studying the reactions²²Ne(d, p)²³Ne (E _d =4–6 MeV) and²³Na(n, p γ)²³Ne(E _n=8–9 MeV). From the (d, p) data,l-values and spectroscopic factors for the transferred neutron have been extracted by DWBA analyses. From the (n, p γ) data,γ-ray branchings and possible spin assignments have been derived. The results are used to discuss the applicability of the Nilsson model and the excited core model to the nucleus²³Ne.     

The method of lines solution of discrete ordinates method for non-grey media

A radiation code based on method of lines (MOL) solution of discrete ordinates method (DOM) for radiative heat transfer in non-grey absorbing-emitting media was developed by incorporation of a gas spectral radiative property model, namely wide band correlated-k (WBCK) model, which is compatible with MOL solution of DOM. Predictive accuracy of the code was evaluated by applying it to 1-D parallel plate and 2-D axisymmetric cylindrical enclosure problems containing absorbing-emitting medium and benchmarking its predictions against line-by-line solutions available in the literature. Comparisons reveal that MOL solution of DOM with WBCK model produces accurate results for radiative heat fluxes and source terms and can be used with confidence in conjunction with computational fluid dynamics codes based on the same approach.     

Ultrasonic Extraction of 2-Acetyl-1-Pyrroline (2AP) from Pandanus amaryllifolius Roxb. Using Ethanol as Solvent

2-acetyl-1-pyrroline (2AP) is the compound that gives out the typical aroma and flavour of pandan leaves (Pandanus amaryllifolius Roxb.). This research incorporates ultrasonic extraction to extract the aromatic compound in pandan leaves. The parameters varied in this study are the extraction time, sonicator amplitude, concentration of solvent and the mass of pandan leaves. The experiment was conducted using a central composite design (CCD) model generated by the response surface methodology (RSM). From the extraction process, it can be deduced that the effect of leaves’ mass is comparably higher than other parameters, while sonicator amplitude gives the most negligible impact on the process. The obtained p-value was 0.0014, which was less than 0.05. The high R-squared 0.9603 and adjusted R-squared 0.8809 indicate the model is well agreed with the actual data. The optimal control variables of ultrasonic extraction of 2AP are at an extraction time of 20 min, 60% of solvent concentration, amplitude of 25% and 12.5 g of pandan leaves, which produced 60.51% of yield of the extract and 1.43 ppm of 2AP. It is found that the mass of pandan leaves and the concentration of solvent have a significant impact on the extraction process of 2AP.     

A Review on Recent Progress of Stingless Bee Honey and Its Hydrogel-Based Compound for Wound Care Management

Stingless bee honey has a distinctive flavor and sour taste compared to Apis mellifera honey. Currently, interest in farming stingless bees is growing among rural residents to meet the high demand for raw honey and honey-based products. Several studies on stingless bee honey have revealed various therapeutic properties for wound healing applications. These include antioxidant, antibacterial, anti-inflammatory, and moisturizing properties related to wound healing. The development of stingless bee honey for wound healing applications, such as incorporation into hydrogels, has attracted researchers worldwide. As a result, the effectiveness of stingless bee honey against wound infections can be improved in the future to optimize healing rates. This paper reviewed the physicochemical and therapeutic properties of stingless bee honey and its efficacy in treating wound infection, as well as the incorporation of stingless bee honey into hydrogels for optimized wound dressing.     

An Update on the Use of Molecularly Imprinted Polymers in Beta-Blocker Drug Analysis as a Selective Separation Method in Biological and Environmental Analysis

Beta-blockers are antihypertensive drugs and can be abused by athletes in some sport competitions; it is therefore necessary to monitor beta-blocker levels in biological samples. In addition, beta-blocker levels in environmental samples need to be monitored to determine whether there are contaminants from the activities of the pharmaceutical industry. Several extraction methods have been developed to separate beta-blocker drugs in a sample, one of which is molecularly imprinted polymer solid-phase extraction (MIP-SPE). MIPs have some advantages, including good selectivity, high affinity, ease of synthesis, and low cost. This review provides an overview of the polymerization methods for synthesizing MIPs of beta-blocker groups. The methods that are still widely used to synthesize MIPs for beta-blockers are the bulk polymerization method and the precipitation polymerization method. MIPs for beta-blockers still need further development, especially since many types of beta-blockers have not been used as templates in the MIP synthesis process and modification of the MIP sorbent is required, to obtain high throughput analysis.     

In Silico Molecular Docking Analysis of Karanjin against Alzheimer’s and Parkinson’s Diseases as a Potential Natural Lead Molecule for New Drug Design,Development and Therapy

Parkinson’s disease (PD) and Alzheimer’s disease (AD) are neurodegenerative disorders that have emerged as among the serious health problems of the 21st century. The medications currently available to treat AD and PD have limited efficacy and are associated with side effects. Natural products are one of the most vital and conservative sources of medicines for treating neurological problems. Karanjin is a furanoflavonoid, isolated mainly from Pongamia pinnata with several medicinal plants, and has been reported for numerous health benefits. However, the effect of karanjin on AD and PD has not yet been systematically investigated. To evaluate the neuroprotective effect of karanjin, extensive in silico studies starting with molecular docking against five putative targets for AD and four targets for PD were conducted. The findings were compared with three standard drugs using Auto Dock 4.1 and Molegro Virtual Docker software. Additionally, the physiochemical properties (Lipinski rule of five), drug-likeness and parameters including absorption, distribution, metabolism, elimination and toxicity (ADMET) profiles of karanjin were also studied. The molecular dynamics (MD) simulations were performed with two selective karanjin docking complexes to analyze the dynamic behaviors and binding free energy at 100 ns time scale. In addition, frontier molecular orbitals (FMOs) and density-functional theory (DFT) were also investigated from computational quantum mechanism perspectives using the Avogadro-ORCA 1.2.0 platform. Karanjin complies with all five of Lipinski’s drug-likeness rules with suitable ADMET profiles for therapeutic use. The docking scores (kcal/mol) showed comparatively higher potency against AD and PD associated targets than currently used standard drugs. Overall, the potential binding affinity from molecular docking, static thermodynamics feature from MD-simulation and other multiparametric drug-ability profiles suggest that karanjin could be considered as a suitable therapeutic lead for AD and PD treatment. Furthermore, the present results were strongly correlated with the earlier study on karanjin in an Alzheimer’s animal model. However, necessary in vivo studies, clinical trials, bioavailability, permeability and safe dose administration, etc. must be required to use karanjin as a potential drug against AD and PD treatment, where the in silico results are more helpful to accelerate the drug development.     

Green preparation of Pd nanoparticles on SBA-15 via supercritical fluid deposition and application on Suzuki–Miyaura cross-coupling reaction

A well-dispersed green Pd/SBA-15 catalyst with an average size of 13.7 nm and 492.6 m²/g BET surface area is prepared via supercritical fluid deposition method with a new bipyridyl precursor that enables reduction at mild conditions at 80 °C and 17.2 MPa. The catalytic performance of Pd/SBA-15 prepared using scCO₂ with hydrogen reduction was assessed for Suzuki–Miyaura coupling reaction of bromobenzene and phenylboronic acid that was chosen as a model coupling reaction. The catalyst was tested in six different solutions and in three organic and inorganic bases during reactions. In general, the effect of bases is investigated when solvents are held constant and K₂CO₃ appears to have the best results in the activity studies used. For each of the 3 bases used, the highest catalytic activity was reached as the result of the solvent system being ethanol/water (1:1). The highest catalytic conversion was obtained in the ethanol-K₂CO₃ solvent-base pair. The catalyst synthesized in this study exhibited high activities and TON value was found as 160.8 at room temperature.     

Chemical reaction-diffusion networks: convergence of the method of lines

We show that solutions of the chemical reaction-diffusion system associated to \(A+B\rightleftharpoons C\) in one spatial dimension can be approximated in \(L^2\) on any finite time interval by solutions of a space discretized ODE system which models the corresponding chemical reaction system replicated in the discretization subdomains where the concentrations are assumed spatially constant. Same-species reactions through the virtual boundaries of adjacent subdomains lead to diffusion in the vanishing limit. We show convergence of our numerical scheme by way of a consistency estimate, with features generalizable to reaction networks other than the one considered here, and to multiple space dimensions. In particular, the connection with the class of complex-balanced systems is briefly discussed here, and will be considered in future work.     

Synthesis and Ring Opening Reactions of Tetrahydroimidazo[1,5- b ][1,2,4]oxadiazol-2(1 H )-thiones

1,3-Dipolar cycloaddition of imidazoline 3-oxides 1 with methylisothiocyanate proceeds regio- and diastereoselectively to give tetrahydroimidazo[1,5- b ][1,2,4]oxadiazol-2(1 H )-thiones 3 in high yields. The cis configuration of the adducts were proved by our double cis elimination test as well as by NOESY experiments. The imidazooxadiazol-2-thiones 3a-e were treated with concentrated HCl in ethanol at 50°;C to give the corresponding 4 H -[1,2,4]oxadiazole-5-thione only in the cases where the substituent at C-6 is an aryl.     

New Heterocyclic Phosphorus Ylides: Synthesis,Crystal Structure,and Theoretical Calculation of Alkyl Substituted 3-(4-Benzoyl-1,5-diphenyl-2,3-dihydro-1H-pyrazol-3-yl)-3-oxo-2-(triphenylphosphoranylidene) Propanoates

Novel alkyl substituted 3-(4-benzoyl-1,5-diphenyl-2,3-dihydro-1H-pyrazol-3-yl)-3-oxo-2-(triphenylphosphoranylidene) propanoates (3) were synthesized from 4-benzoyl-1,5-diphenyl-1H-pyrazole-3-carbonylchloride (1) and alkyl (triphenylphosphoranylidene) acetates (2a–b). The synthesized compounds were characterized by elemental analysis, spectroscopic studies (3a–b), and single crystal X-ray diffraction (3a). The mechanism of the reaction between (1) and (2a) was studied by AM1, and the geometrical parameters of the studied molecules were also carried out in B3LYP methods with the standard 6–31G (d,p) basis set. NBO analysis were studied for 1 and 2a B3LYP methods with the standard 6–31G (d,p) basis set.