Synthesis, biological evaluation and in silico metabolic and toxicity prediction of some flavanone derivatives

Flavones chemically are anthoxanthins, occur either in the free state or as glycosides associated with tannins (flavanoids). Flavanoids (derivatives of flavone) possess various pharmacological activities and due to its xanthine-oxidase enzyme inhibitory effect it also has superoxide-scavenging activities. A series of 2-phenyl-2,3-dihydrochromon-4-one derivatives (flavanone derivatives) were synthesized from chalcones by cyclization method and their activities were evaluated against some gram positive and gram-negative bacteria. IR, NMR and CHN analysis confirmed the structure of the synthesized compounds. The results of the antibacterial studies shows that compounds 2b, 2e, 2f and 2h possess activity against many bacterial strains. Among that the compound (2h) has remarkable activity against all strains viz. 25 microg/ml inhibitory concentration against S. aureus, S. sonnei, E. coli, S. typhimurium and V. cholerae. Compound 2f possess minimum inhibitory concentration of 200 microg/ml against E. coli and S. typhimurium and 25 microg/ml against S. sonnei, S. dysenteriae and V. cholerae. In silico metabolic and toxicity study of the synthesized compounds were performed and the predicted result showed that the compound having hydroxyl functional group undergo sulfate and O-glucuronide conjugation reaction and methoxy derivatives undergo demethylation reaction. The biologically active compounds are free of toxicity in oncogene, teratogen, sensitivity and immunotoxicity.     

Retraction Note to: Nano Pt–TiO2 for an efficient one-pot photocatalytic synthesis of quinaldines from anilines and ethanol

Research on Chemical Intermediates - This article has been retracted. Please see the Retraction Notice for more detail: https://doi.org/10.1007/s11164-020-04374-7     

Synthesis,characterization, crystal structure and NLO properties of a new mixed crystal potassium sodium ammonium dihydrogenphosphate K0.23Na0.23(NH4)0.54H2PO4

Potassium sodium ammonium dihydrogenphosphate K_0.23Na_0.23(NH₄)_0.54H₂PO₄ (KSADP), a new mixed crystal has been grown in aqueous medium by the slow evaporation of equimolar mixture of ammonium dihydrogenphosphate (ADP), potassium dihydrogenphosphate (KDP) and sodium dihydrogenphosphate (SDP). Crystal composition as determined by single crystal X-ray diffraction analysis reveals that it belongs to the tetragonal system with noncentrosymmetric space group I-42d and it is structurally similar to ADP with cell parameter values, a=7.4794(4) Å; b=7.4794(4) Å; c=7.2974(11) Å; υ=408.23(7) Å³; z=4. The presence of sodium and potassium in ADP matrix was confirmed by inductively coupled plasma emission spectrometry and energy dispersive X-ray spectroscopy. The partial cationic substitution results in defect centers influencing the physical properties. Slight shifts in vibrational patterns could be attributed to strains in the lattice. Refinement of structure by single crystal XRD analysis reveals that potassium, sodium and ammonium coexist in the mixed crystal. The surface morphology of the as-grown specimen, which is changed as a result of cationic incorporation, was studied by scanning electron microscopy. The relative second harmonic generation (SHG) efficiency measurements revealed that the mixed crystal has a superior NLO activity than ADP.     

A novel inorganic-organic compound: Synthesis and structural characterization of tin(II) phenylbis(phosphonate), Sn2(PO3C6H4PO3)

A novel tin(II) phenylbis(phosphonate) compound has been synthesized hydrothermally and its structure has been determined by single crystal X-ray diffraction. The structure is monoclinic, space group P2₁/c (no. 14), a=4.8094(4), b=16.2871(13), ; β=106.292(6)°, , Z=2. The three-dimensional structure consists of 3-coordinated tin and 4-coordinated phosphorus double layers separated (pillared) by phenyl rings. These phenyl rings are placed 4.8 Å apart along the a-axis in the structure resulting in lower surface area (∼14 m²/g). The porosity has been increased by replacing phenyl groups by methyl groups (∼31 m²/g).     

Influence of alkali metal sodium doping on the properties of potassium hydrogen phthalate (KHP) crystals

The effect of doping sodium on the growth process and properties of potassium hydrogen phthalate (KHP) single crystals by slow evaporation solution growth technique has been investigated. Incorporation of sodium into the crystalline matrix even in the presence of low dopant concentration in aqueous growth medium is well confirmed by energy dispersive X-ray spectroscopy and quantified by atomic absorption spectroscopy and inductively coupled plasma emission spectrometer (ICP) techniques. The FT-IR spectral analysis confirms the slight distortion of the structure of the crystals as a result of doping. The TG-DTA studies reveal the purity of the material and no decomposition is observed up to the melting point. Low Na-doping (10 mol%) slightly increases the second harmonic generation efficiency, whereas heavy doping {[KHP]:[Na] = 1:1} results in significant enhancement. It has also been found that the doping results in morphological changes.     

Os(VIII) doping effects on the properties and crystalline perfection of potassium hydrogen phthalate (KHP) crystals

The effect of dopant, Os(VIII) on the growth process, crystalline perfection and properties of potassium hydrogen phthalate (KHP) single crystals grown by a slow evaporation solution growth technique has been investigated. The XRD analysis of black-colored doped specimen reveals slight structural changes as a result of doping. The SEM images exhibit defect centers and crystal voids. The complex formation of KHP with Os(VIII) is evidenced by the considerable shift in λ_max of the doped specimen and enhanced fluorescence intensity is observed by doping. Differential scanning calorimetry (DSC) and TG-DTA studies reveal the purity of the sample and no decomposition is observed up to the melting point. The high resolution X-ray diffraction (HRXRD) studies used to evaluate the crystalline perfection reveal some features on the capability of accommodating the dopant in the crystalline matrix. The diffraction curve (DC) patterns indicate that the high valence transition metal predominantly occupies the interstitial positions and the doping depresses the second harmonic generation (SHG) efficiency owing to the deterioration of crystalline perfection disturbing the charge transfer and nonlinearity.     

Comparative studies on conventional and microwave assisted synthesis of benzimidazole and their 2-substituted derivative with the effect of salt form of reactant

Benzimidazole and their derivative were reported to have wide biological activities and were synthesized by using different solvents and ring closing agents. The present work deals with the comparative synthesis of 2-alkyl and aryl substituted benzimidazole derivative in the presence of polyphosphoric acid through microwave and conventional methods and also studied the effect of salt form of reactant for completion of the reaction. The 2-substituted aryl and alkyl benzimidazole derivative were synthesized via microwave and was observed to be more beneficial, in respect of yield (increases up to 10 to 50%) and time (96 to 98% was reduced) than conventional method of synthesis. This study was concluded that the salt form of reactant (o-phenylenediamine dihydrochloride) gave reduced colour impurities, homogenous mixing and reduced time for completion of reaction.     

Natural radioactivity and indoor radiation measurements in buildings and building materials in Gobichettipalayam town

Samples of natural and manufactured building materials used by the people of Gobichettipalayam town have been analyzed for ²²⁶Ra, ²³²Th and ⁴⁰K using gamma-ray spectrometry. Radium equivalent activity of the materials has been measured using the formula given by OECD and the geometric mean value of sand, clay and cements are found to be 53.53 Bq·kg⁻¹, 89.09 Bq·kg⁻¹ and 72.25 Bq·kg⁻¹, respectively. The radium equivalent activities obtained in the building materials are all well below the acceptable limit. The indoor gamma-dose has been measured using thermoluminescence dosimeters and it was found in the range of 1051.2–3946.0 μGy/year. The annual effective indoor gamma radiation dose to the people of Gobichettipalayam town has been found to be 0.8 mSv/y.     

Background radiation study in Coimbatore city,Tamilnadu

The activity concentration and absorbed gamma dose rates due to primordial radionuclides (²³⁸U, ²³²Th and ⁴⁰K) have been determined for the soil of Coimbatore city using NaI(Tl) gamma-ray spectrometer. The average activity concentrations of ²³²Th, ²³⁸U and ⁴⁰K in the soil samples have been found to be 31.4 Bq·kg⁻¹, 12.8 Bq·kg⁻¹ and 698.0 Bq·kg⁻¹, respectively, which give the total gamma dose rate contribution of 56.4 nGy·h⁻¹. Grab sampling technique has been used to determine the indoor radon (²²²Rn) and thoron (²²⁰Rn) progeny levels in different dwellings in the city. The concentrations of radon and thoron progenies range from 0.4 to 10.4 and from 0.7 to 12.7 mWL with a mean value of 1.4 mWL and 3.1 mWL, respectively. The annual effective dose due to radon and thoron progeny has been found to be 0.14 mSv·y⁻¹.