Spectroscopic,thermal, and X-ray diffraction studies of tetrakis(thiourea) palladium chloride bis (5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine dihydrate

The crystal and molecular structure of the title compound, ·[Pd(S=C(NH₂)₂)₄]Cl₂·2dmtp·2H₂O. has been determined and refined to a finalR=0.034. The cation is centrosymmetric with the Pd atom existing in a square planar geometry with two disparate Pd–S bond distances of 2.3129(9) and 2.292(1)Å. Interatomic parameters are reported for the first non-coordinated dmtp molecule; these suggest the predominance of a particular canonical form in the solid state. The lattice is stabilized via a series H-bonding contacts involving the thiourea. Cl^– and dmtp species. Crystals of [Pd(S=C(NH₂)₂)₄]Cl₂ · 2dmtp · 2H₂O are monoclinic with space groupP2₁/c, and unit cell dimensionsa=15.129(1),b=8.512(1),c=12.663(1) Å, =104.05(1)°.     

In-situ mechanical properties identification of 3D particulate composites using the Virtual Fields Method

This paper presents an identification procedure based on the Virtual Fields Method (VFM) for identifying in situ mechanical properties of composite materials constitutive phases from 3D full-field measurements. The new procedure, called the Regularized Virtual Fields Method (RVFM), improves the accuracy of the VFM thanks to the imposition of mechanical constraints derived from an appropriate homogenization model. The developed algorithms were validated through virtual experiments on particulate composites. The robustness of both the VFM and the RVFM was assessed in the presence of noisy strain data for various microstructures. A study was also carried out to investigate the influence of the size of region of interests on the reliability of the identified parameters. Accordingly, the optimum size of region of interest was determined based on full-field measurement requirements and accuracy of the identified parameters. This study enables determining, a priori, the required magnification level of 3D images for composites of any mechanical and morphological characteristics.     

<em>Mesua beccariana </em>(Clusiaceae), A Source of Potential Anti-cancer Lead Compounds in Drug Discovery

An investigation on biologically active secondary metabolites from the stem bark of Mesua beccariana was carried out. A new cyclodione, mesuadione (1), along with several known constituents which are beccamarin (2), 2,5-dihydroxy-1,3,4-trimethoxy anthraquinone (3), 4-methoxy-1,3,5-trihydroxyanthraquinone (4), betulinic acid (5) and stigmasterol (6) were obtained from this ongoing research. Structures of these compounds were elucidated by extensive spectroscopic methods, including 1D and 2D-NMR, GC-MS, IR and UV techniques. Preliminary tests of the in vitro cytotoxic activities of all the isolated metabolites against a panel of human cancer cell lines Raji (lymphoma), SNU-1 (gastric carcinoma), K562 (erythroleukemia cells), LS-174T (colorectal adenocarcinoma), HeLa (cervical cells), SK-MEL-28 (malignant melanoma cells), NCI-H23 (lung adenocarcinoma), IMR-32 (neuroblastoma) and Hep-G2 (hepatocellular liver carcinoma) were carried out using an MTT assay. Mesuadione (1), beccamarin (2), betulinic acid (5) and stigmasterol (6) displayed strong inhibition of Raji cell proliferation, while the proliferation rate of SK-MEL-28 and HeLa were strongly inhibited by stigmasterol (6) and beccamarin (2), indicating these secondary metabolites could be anti-cancer lead compounds in drug discovery.     

Antioxidant, antimicrobial and tyrosinase inhibitory activities of xanthones isolated from Artocarpus obtusus F.M. Jarrett

One of the most promising plants in biological screening test results of thirteen Artocarpus species was Artocarpus obtusus FM Jarrett and detailed phytochemical investigation of powdered dried bark of the plant has led to the isolation and identification of three xanthones; pyranocycloartobiloxanthone A (1), dihydroartoindonesianin C (2) and pyranocycloartobiloxanthone B (3). These compounds were screened for antioxidant, antimicrobial and tyrosinase inhibitory activities. Pyranocycloartobiloxanthone A (1) exhibited a strong free radical scavenger towards DPPH free radicals with IC50 value of 2 μg/mL with prominent discoloration observed in comparison with standard ascorbic acid, α-tocopherol and quercetin, The compound also exhibited antibacterial activity against methicillin resistant Staphylococcus aureus (ATCC3359) and Bacillus subtilis (clinically isolated) with inhibition zone of 20 and 12 mm, respectively. However the other two xanthones were found to be inactive. For the tyrosinase inhibitory activity, again compound (1) displayed strong activity comparable with the standard kojic acid.     

Selective conversion of C=N bonds to their corresponding carbonyl compounds by the tribromoisocyanuric acid/wet SiO2 system as a novel reagent

Abstract  

Tribromoisocyanuric acid/wet SiO₂ was used for the conversion of C=N bonds to their corresponding carbonyl compounds in oximes, semicarbazones, azines, and Schiff bases. The interesting feature of this system is that in those oximes, semicarbazones, azines, and Schiff bases which have conjugated or unconjugated C=C bonds, the C=N bond will selectively change to the relevant C=O bond while the conjugated or unconjugated C=C bond will remain intact.     

Periodic Mesoporous Organosilica Nanoparticles for CO2 Adsorption at Standard Temperature and Pressure

(1) Background: Due to human activities, greenhouse gas (GHG) concentrations in the atmosphere are constantly rising, causing the greenhouse effect. Among GHGs, carbon dioxide (CO₂) is responsible for about two-thirds of the total energy imbalance which is the origin of the increase in the Earth’s temperature. (2) Methods: In this field, we describe the development of periodic mesoporous organosilica nanoparticles (PMO NPs) used to capture and store CO₂ present in the atmosphere. Several types of PMO NP (bis(triethoxysilyl)ethane (BTEE) as matrix, co-condensed with trialkoxysilylated aminopyridine (py) and trialkoxysilylated bipyridine (Etbipy and iPrbipy)) were synthesized by means of the sol-gel procedure, then characterized with different techniques (DLS, TEM, FTIR, BET). A systematic evaluation of CO₂ adsorption was carried out at 298 K and 273 K, at low pressure. (3) Results: The best values of CO₂ adsorption were obtained with 6% bipyridine: 1.045 mmol·g⁻¹ at 298 K and 2.26 mmol·g⁻¹ at 273 K. (4) Conclusions: The synthetized BTEE/aminopyridine or bipyridine PMO NPs showed significant results and could be promising for carbon capture and storage (CCS) application.     

Synthesis and characterization of biodegradable multicomponent amphiphilic conetworks with tunable swelling through combination of ring‐opening polymerization and “click” chemistry method as a controlled release formulation for 2,4‐dichlorophenoxyacetic acid herbicide

Multicomponent (two, three, and four component) amphiphilic conetworks (APCNs) with tunable swelling behaviors were fabricated through the ring opening polymerization and click chemistry utilizing various combinations of azide and alkyne functionalized poly (ethylene glycol) (PEG) and poly (caprolactone) (PCL) precursors. Prepare azido‐terminated star‐shaped PCL, azido‐terminated PEG, alkyne‐terminated PEG, and propargylated pentaerythritol were characterized by hydrogen‐1 proton nuclear magnetic resonance (¹H NMR) and Fourier‐transform infrared (FT‐IR) spectroscopy. The morphology and thermal behavior of the APCNs were studied by scanning electron microscopy (SEM) and differential scanning calorimetry (DSC). The swelling behavior of APCNs could be manipulated through an establishment of a balance between hydrophilic segments, hydrophobic segments, and cross‐linking density. The 2,4‐dichlorophenoxyacetic acid (2,4‐D) herbicide was entrapped in APCNs as a model agrochemical to study the release profile from APCNs. The obtained results showed that the release of 2,4‐D could be controlled by the swelling degree of APCNs. Finally, the biodegradability rates of APCNs were investigated in agricultural soil. The results exhibited that the decrease in the swelling degree led to decreased degradation rate of APCNs. According to obtained results, these APCNs could be used as biomaterials for the controlled release of agrochemicals.     

Baryon-Baryon correlations at small relative momentum in Neon- and Argon-nucleus collisions betweenE/A=200 and 1000 MeV

Two-proton correlation functions at small relative momentum have been systematically studied with the large solid angle detector DIOGENE at Saturne for interactions induced by Ne and Ar beams on various targets, and incident energies per nucleon ranging from 200 to 1000 MeV. From these distributions, informations on the space-time structure of the source have been derived as a function of the centrality of the collision, the target-projectile combinations and the incident energy, using the model of Koonin. Special attention has been devoted to take into account all experimental biases in order to get the distorted theoretical correlation curves before comparison to the experimental data. Other interesting conclusions have been obtained when comparing the extracted source radii to the dimensions of the overlapping volume of target by projectile in a pure geometrical model of the collision (clean cut geometry). Some results concerning fragment-fragment small angle correlations are also presented.     

Optimization of Linac-based neutron source for thermal neutron activation analysis

Journal of Radioanalytical and Nuclear Chemistry - A 20&nbsp;MeV electron Linac based neutron beam has been shaped for neutron activation analysis (NAA) technique. A beam shaping assembly (BSA)...