Synthesis and bioactivity of new analogue of Bicyclic 1-Azafagomine

New (S)-(1,2,3,6-tetrahydropyridazin-3-yl)methanol was synthesized by Lewis acid catalyzed and self-assembled Diels-Alder (LACASA-DA) cycloaddition reaction using (S)-BINOL as a chiral inductor. The N-2 pyridazine position was protected, the hydroxyl group was carbonylated to form the new bicyclic structure. The protective group was removed and the double bond was dihydroxylated leading to the target compound. Removal of the protective group was performed using a newly found ecofriendly catalyst for N-Boc deprotection. The final iminosugar derivative 7 and all newly synthesized intermediates, were investigated against S. aureus and E. coli bacteria and were found to show promising activity against both gram-positive and gram-negative bacteria.- (undefined

Degradation of Phenol in the System TiO2 Nanoparticles and N-Containing Compound

The purpose this research was to study the decomposition of phenol in water under the influence of UV radiation in the presence of nanoparticles TiO2 and methyl-3-amicrotonate. The photochemical decomposition of phenol in the presence of UV in a system of TiO2+N containing substances was carried out. The TiO2 nanoparticles used in the reaction had a size from 10 to 30 nm and belonged to the rutile phase. Nano-TiO2 was studied by X-ray diffraction, TEM and SEM methods. All the XRD peaks were well-defined and corresponded to rutile phase TiO2. From the line broadening of the (101) diffraction peak by Scherrer’s method, the average crystal size TiO2 is about 10.3. The specific surface areas for TiO2 is 159.6 m2/g. X-ray structure analysis Fig of the studied nanocomposite materials were recorded on the Rigaku Mini Flex 600s powder diffractometer. X-ray tube with copper anode (Cu-Kα radiation, 30 kV and mA) was used to draw the diffraction specters at room temperature. At 2θ = 20and#176;- 80and#176; with discrete growth mode these specters were obtained as Δ2θ = 0.05and#176; and the exposure time was τ =5 seconds. The photochemical process lasted 1 hour using a very small amount of white powder and 0.05 gr of TiO2 nanoparticles synthesized by the sol-gel method and N-containing substance. For the process 1 mgL-1of phenol solution was used. The process was monitored with a spectrophotometer “Varian Cary 50”. After the photochemical decomposition of phenol, the reaction product was analyzed on an Agilent 6980N/5975 by the method GC-MSD. The goal was to determine the percentage of photochemical decomposition of phenol in TiO2+N system and 60% decomposition of phenol was defined.</jats:p

TDDFT-DFT Theoretical Method and Topological Analysis to the Behavior Understanding of Two Tungsten Carbonyl Complexes

: The purpose this research was to study the decomposition of phenol in water under the influence of UV radiation in the presence of nanoparticles TiO2 and methyl-3-amicrotonate.The photochemical decomposition of phenol in the presence of UV in a system of TiO2+N containing substances was carried out. The TiO2 nanoparticles used in the reaction had a size from 10 to 30 nm and belonged to the rutile phase. Nano-TiO2 was studied by X-ray diffraction, TEM and SEM methods. All the XRD peaks were well-defined and corresponded to rutile phase TiO2. From the line broadening of the (101) diffraction peak by Scherrer's method, the average crystal size TiO2 is about 10.3. The specific surface areas for TiO2 is 159.6 m2/g. X-ray structure analysis Fig of the studied nanocomposite materials were recorded on the Rigaku Mini Flex 600s powder diffractometer. X-ray tube with copper anode (Cu-K alpha radiation, 30 kV and mA) was used to draw the diffraction specters at room temperature. At 2 theta = 20 degrees-80 degrees with discrete growth mode these specters were obtained as Delta 2 theta = 0.05 degrees and the exposure time was Tau =5 seconds.The photochemical process lasted 1 hour using a very small amount of white powder and 0.05 gr of TiO2 nanoparticles synthesized by the sol-gel method and N-containing substance. For the process 1 mgL-1of phenol solution was used. The process was monitored with a spectrophotometer "Varian Cary 50". After the photochemical decomposition of phenol, the reaction product was analyzed on an Agilent 6980N/5975 by the method GC-MSD. The goal was to determine the percentage of photochemical decomposition of phenol in TiO2+N system and 60% decomposition of phenol was defined

Crystal structure and Hirshfeld surface analysis of 2-(4-amino-6-phenyl-1,2,5,6-tetrahydro-1,3,5-triazin-2-ylidene)malononitrile dimethylformamide hemisolvate

The title compound, 2C(12)H(10)N(6)center dot C3H7NO, crystallizes as a racemate in the monoclinic P2(1)/c space group with two independent molecules (I and II) and one dimethylformamide solvent molecule in the asymmetric unit. Both molecules (I and II) have chiral centers at the carbon atoms where the triazine rings of molecules I and II are attached to the phenyl ring. In the crystal, molecules I and II are linked by intermolecular N-H center dot center dot center dot N, N-H center dot center dot center dot O and C-H center dot center dot center dot N hydrogen bonds through the solvent dimethylformamide molecule into layers parallel to (001). In addition, C-H center dot center dot center dot pi interactions also connect adjacent molecules into layers parallel to (001). The stability of the molecular packing is ensured by van derWaals interactions between the layers. The Hirshfeld surface analysis indicates that N center dot center dot center dot H/H center dot center dot center dot N (38.3% for I; 35.0% for II), H center dot center dot center dot H (28.2% for I; 27.0% for II) and C center dot center dot center dot H/H center dot center dot center dot C (23.4% for I; 26.3% for II) interactions are the most significant contributors to the crystal packing

Novel cyclic thiourea derivatives of aminoalcohols at the presence of AlCl3 catalyst as potent alpha-glycosidase and alpha-amylase inhibitors: Synthesis, characterization, bioactivity investigation and molecular docking studies

The article is devoted to the targeted synthesis and study of cyclic thiourea and their various new derivatives as new organic compounds containing polyfunctional group in the molecule. First time the reaction of the corresponding synthesized pyrimidinethione with 1,2-epoxy-3-chlorpropane at the presence of AlCl3 catalyst in 75-80 yield alkyl-1-(3-chloro-2-hydroxypropyl)-4-alkyl-6-phenyl-2-thioxo-1,2,5,6- tetrahydropyrimidine-5-carboxylates. In the next stage, new cyclic thiourea derivatives of aminoalcohols were synthesised from the reaction of chlorinated derivatives of pyrimidinethiones with single amines and their structures were investigated by spectroscopic methods. In this study, a series of novel compounds were tested towards some metabolic enzymes including alpha-glycosidase (alpha-Gly) and alpha-amylase (alpha-Amy) enzymes. Novel compounds showed Kis in ranging of 10.43 +/- 0.94-111.37 +/- 13.25 microM on alpha-glycosidase and IC50 values in ranging of 14.38-106.51 microM on alpha-amylase. The novel cyclic thiourea derivatives of aminoalcohols had effective inhibition profiles against all tested metabolic enzymes. Binding affinity and inhibition mechanism of the most active compounds were detected with in silico studies and have shown that 2-Hydroxypropyl and butan-1-aminium moieties play a key role for inhibition of the enzymes