Synthesis of various fused heterocyclic rings from thiazolopyridine and their pharmacological and antimicrobial evaluations

Various fused-heterocyclic-derivatives containing thiazolopyridine moieties has been synthesized by allowing 5-aminothiazolo[3,2-a]pyridine derivative 1 to undergo annulations reactions with different reagents under different-reaction conditions. The biological assessment of compounds 2 , 11 , 14 , 15 , and 19 showed remarkable antimicrobial activities. In addition, selected derivatives of the products were screened for their anticancer activities against two tumor cell lines using MTT assay and the results showed that some of these compounds have potent cytotoxic effect, as concluded from their IC₅₀ values. Meanwhile, compounds 3a , 7 have exhibited very strong potency as anticancer candidates. Thiazolopyridine structures have been confirmed as a useful lead compounds for the development of new anticancer agents. Molecular docking showed that,-some of the synthesized compounds more suitable inhibitor against-ALR2 with farther alteration in future.     

Local Thermodynamic Description of Isothermal Single-Phase Flow in Simple Porous Media

Transport in Porous Media - Darcy’s law for porous media transport is given a new local thermodynamic basis in terms of the grand potential of confined fluids. The local effective pressure...     

An Update of Nucleic Acids Aptamers Theranostic Integration with CRISPR/Cas Technology

The clustered regularly interspaced short palindromic repeat (CRISPR)/Cas system is best known for its role in genomic editing. It has also demonstrated great potential in nucleic acid biosensing. However, the specificity limitation in CRISPR/Cas has created a hurdle for its advancement. More recently, nucleic acid aptamers known for their high affinity and specificity properties for their targets have been integrated into CRISPR/Cas systems. This review article gives a brief overview of the aptamer and CRISPR/Cas technology and provides an updated summary and discussion on how the two distinctive nucleic acid technologies are being integrated into modern diagnostic and therapeutic applications     

Thermodynamics and Phase Transition of Topological Dilatonic Lifshitz-Like Black Holes

It is known that scalar-tensor gravity models can be studied in Einstein and Jordan frames. In this paper, a model of scalar-tensor gravity in Einstein's frame is considered to calculate the Lifshitz-like black hole solutions with different horizon topologies. Thermodynamic properties and first order van der Waals-like phase transition are studied, and it is found that the Lifshitz parameter affects the phase structure. In addition, thermal stability is investigated by using the behavior of heat capacity and various methods of geometrical thermodynamics.     

Synthesis,Characterization, and Optimization Studies of Starch/Chicken Gelatin Composites for Food-Packaging Applications

The indiscriminate use of plastic in food packaging contributes significantly to environmental pollution, promoting the search for more eco-friendly alternatives for the food industry. This work studied five formulations (T1–T5) of biodegradable cassava starch/gelatin films. The results showed the presence of the starch/gelatin functional groups by FT-IR spectroscopy. Differential scanning calorimetry (DSC) showed a thermal reinforcement after increasing the amount of gelatin in the formulations, which increased the crystallization temperature (Tc) from 190 °C for the starch-only film (T1) to 206 °C for the film with 50/50 starch/gelatin (T3). It also exhibited a homogeneous surface morphology, as evidenced by scanning electron microscopy (SEM). However, an excess of gelatin showed low compatibility with starch in the 25/75 starch/gelatin film (T4), evidenced by the low Tc definition and very rough and fractured surface morphology. Increasing gelatin ratio also significantly increased the strain (from 2.9 ± 0.5% for T1 to 285.1 ± 10.0% for T5) while decreasing the tensile strength (from 14.6 ± 0.5 MPa for T1 to 1.5 ± 0.3 MPa for T5). Water vapor permeability (WVP) increased, and water solubility (WS) also decreased with gelatin mass rising in the composites. On the other hand, opacity did not vary significantly due to the films’ cassava starch and gelatin ratio. Finally, optimizing the mechanical and water barrier properties resulted in a mass ratio of 53/47 cassava starch/gelatin as the most appropriate for their application in food packaging, indicating their usefulness in the food-packaging industry.     

Synthesis and characterization of radiation grafted films for removal of arsenic and some heavy metals from contaminated water

Grafting of styrene/maleic anhydride and methyl methacrylate/maleic anhydride binary monomers onto the low density polyethylene film was performed using the γ-ray irradiation technique. Then, the synthesized grafted films were treated with different ammonia derivatives for developing chelating functionalization. These chelating products were characterized by the gravimetric method as well as by the Fourier transformed infrared spectroscopic method, and were used for removal of arsenic and some heavy metals from aqueous solutions. The optimum absorbed dose of 30 kGy reveals the graft yielding of about 325% in the films. Uptake of arsenic and some heavy-metal ions (Cr(III), Mn(II), Fe(III), Ni(II), Cu(II) and Pb(II)) from contaminated water by the chelating functionalized films (CFF) was examined by an atomic absorption spectrophotometer. The maximum arsenic removal capacity of 5062 mg/kg has been observed for the film treated with hydroxylamine hydrochloride. The CFF prepared by semicarbazide and thiol analogs show affinity toward the metal ions with an order: Cu(II)>Fe(III)>Mn(II) etc. The results obtained from this study indicate that the functionalized films show good chelating and ion-exchange property for metal ions.     

3-羟基丙烯醛单键旋转异构光反应机理的从头算研究

应用从头算分子轨道法分别在RHF/6-31G**和UHF/6-31G**水平上对3腔┤┓肿拥幕?S0)和三重激发态(T1)单键旋转异构反应机理进行了研究,优化出反应物和产物在S0态和T1态的4种平衡态和过渡态的几何构型,通过振动分析得到的虚频和计算的内禀反应坐标对过渡态进行了确认,并得到了零点能,根据基态和激发态反应途径分析了光反应机理。计算结果表明,基态和激发态的3腔┤┓肿拥ゼ旃狗从ξ焕萁系停嘏湃菀追⑸永砺凵涎橹ち斯夥从κ笛橹屑钢忠旃固宓拇嬖凇?     

Trace analysis of Pt (IV) metal ions in roadside soil and water samples by Fe3O4/graphene/polypyrrole nanocomposite as a solid-phase extraction sorbent followed by atomic absorption spectrometry

A novel Fe₃O₄/graphene/polypyrrole nanocomposite has been successfully synthesised via a simple chemical method and applied as a new magnetic solid-phase extraction (MSPE) sorbent for the separation and pre-concentration of trace amounts of Pt (IV) in environmental samples followed by flame atomic absorption spectrometric (FAAS) detection. The nanocomposite has been characterised by scanning electron microscopy (SEM), transmission electron microscopy (TEM) and Fourier transform infrared (FTIR) spectroscopy. Seven important parameters, affecting the extraction efficiency of Pt (IV), including pH, adsorption time, desorption solvent type and concentration, desorption time, elution volume and sample volume, were investigated. Under the optimised conditions, the calibration graph was linear in the range of 50–1500 μg L^?1 (R = 0.993). The detection limit and pre-concentration factor (PF) for Pt (IV) were found to be 16 μg L^?1 and 112.5, respectively. Under the optimised solid-phase extraction (SPE) conditions, the adsorption isotherm and the adsorption capacity of the nanocomposite for Pt (IV) were studied. Pt (IV) adsorption equilibrium data were fitted well to the Langmuir isotherm and the maximum adsorption capacity of the magnetic sorbent was calculated from the Langmuir isotherm model as 416.7 mg g^?1. The precision of the method was studied as intraday and interday variations. A relative standard deviation percentage (RSD%) value less than 3.0 indicates that the method is precise. Also, the accuracy of the method was tested by the analysis of the standard reference material (NIST SRM 2556) and by recovery measurements on spiked real samples. It was also shown that the optimised method was suitable for the analysis of trace amounts of Pt (IV) in roadside soil, tap water and wastewater samples.     

Supramolecular polymer gels from polystyrene bearing cyclic amidine Group and acrylic acid/n‐butyl acrylate copolymers

We have prepared supramolecular polymer gels by mixing solutions of a polystyrene bearing cyclic amidine pendant groups (Poly‐A) and copolymers of acrylic acid and n‐butyl acrylate (Poly‐C), followed by evaporation. FT‐IR analysis indicated that the gels were formed through three‐dimensional network of the amidinium‐carboxylate salt bridge. DSC study showed that the Poly‐A and the Poly‐C were miscible when the salt bridge content was high. On the other hand, the mixtures with small salt bridge content showed phase separation. Dynamic shear measurements showed that the gel prepared from Poly‐A and Poly‐C with acrylic acid unit content of 15% had G' higher than G″ over a temperature range of ?22 °C to 32 °C, in which the G' value reached almost 1 MPa. The gel had a crossover point of G' and G″ at 32 °C, very close to room temperature, which suggested facile processability. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2016 , 54, 765–770