Hydroxy Phenyl Research Articles

Evaluation of Anti-inflammatory, Antioxidant and Xanthine Oxidase Inhibitory Potential of N-(2-hydroxy phenyl) Acetamide

Nonsteroidal anti-inflammatory drugs has long been used to treat various pathological conditions like arthritis, gout, diabetes, cancer, and cardiovascular diseases. Although exploring the effective anti-inflammatory agents possessing antioxidant along with pain relieving properties is still challenging. Acetamide-containing compounds are known to possess analgesic and anti-inflammatory activity. The purpose of this study is to evaluate the anti-inflammatory, anti-oxidant, xanthine oxidase, and analgesic activity of an acetamide derivative, N-(2-Hydroxyphenyl) Acetamide. In-vitro anti-inflammatory and antioxidant activities were assessed by protein denaturation inhibition and 1,1-diphenyl-2-picrylhydrazyl (DPPH) assay, respectively. Xanthine oxidase potential was also evaluated. In-vivo anti-inflammatory activity was determined by the Formalin-induced paw edema method and analgesic potential was evaluated by an acetic acid-induced writhing test. Results of in-vitro anti-inflammatory activity showed significant (p< 0.001) inhibition of protein denaturation by N-(2-Hydroxyphenyl) Acetamide at both100 and 300 µg/ml. It also exhibited high radical scavenging activity (88.16%) by DPPH at 300 µg/ml. In-vivo Formalin-induced paw edema method revealed significant (p < 0.05) inhibition of paw edema when compared with control and formalin groups. Likewise, NA-2 also significantly (p < 0.001) reduced the number of writhes in the Acetic acid-induced writhing test. Moreover, in both aforementioned in-vivo tests, NA-2 showed comparable results with Indomethacin (10 mg/kg). This study demonstrates that N-(2-Hydroxyphenyl) Acetamide possesses substantial anti-inflammatory, antioxidant, and analgesic activity.

In vitro Evaluation (Antioxidant Activity) of coumarin derivatives

Coumarin is a heterocyclic molecule associated with beneficial human health effects such as to reduce the risk of cancer, diabetes, cardiovascular and brain disease. These effects are thought to be related to free radical scavenging due to their antioxidant properties. Coumarin is a substance that has been synthesized in many of its derivatives in recent years. This entity is a major source of interest for many medicinal chemists to explore its various pharmacological possibilities, especially anticoagulant activity. The antioxidant activities of two synthesized coumarin derivatives namely 2-(4-methyl-2-oxo-2H-chromen-7-yloxy)-N'-(1-(4-aminophenyl)ethylidene) acetohydra zide [M1] and 2-(4-methyl-2-oxo-2H-chromen-7-yloxy)-N'-(1-(2 hydroxy phenyl) ethylidene) acetohydrazide [M2] were studied with the DPPH method. Structure of two coumarin synthesized compounds is proposed on the basis of spectroscopic evidence.

3-(((1S,3S)-3-((R)-Hydroxy(4-(trifluoromethyl)phenyl)methyl)-4-oxocyclohexyl)methyl)pentane-2,4-dione: Design and Synthesis of New Stereopure Multi-Target Antidiabetic Agent.

The chiral drug candidates have more effective binding affinities for their specific protein or receptor site for the onset of pharmacological action. Achieving all carbon stereopure compounds is not trivial in chemical synthesis. However, with the development of asymmetric organocatalysis, the synthesis of certain vital chiral drug candidates is now possible. In this research, we have synthesized 3-(((1S,3S)-3-((R)-hydroxy(4-(trifluoromethyl)phenyl)methyl)-4-oxocyclohexyl)methyl)pentane-2,4-dione (S,S,R-5) and have evaluated it potential as multi-target antidiabetic agent. The stereopure compound S,S,R-5 was synthesized with a 99:1 enantiomeric ratio. The synthesized compound gave encouraging results against all in vitro antidiabetic targets, exhibiting IC50 values of 6.28, 4.58, 0.91, and 2.36 in α-glucosidase, α-amylase, PTP1B, and DPPH targets, respectively. The molecular docking shows the binding of the compound in homology models of the respective enzymes. In conclusion, we have synthesized a new chiral molecule (S,S,R-5). The compound proved to be a potential inhibitor of the tested antidiabetic targets. With the observed results and molecular docking, it is evident that S,S,R-5 is a potential multitarget antidiabetic agent. Our study laid the baseline for the animal-based studies of this compound in antidiabetic confirmation.

New 4-(arylidene)amino-1,2,4-traizole-5-thiol derivatives and their acyclo thioglycosides as α-glucosidase and α-amylase inhibitors: Design, synthesis, and molecular modelling studies

A series of 1,2,4-triazole Schiff`s bases 3-9 and their respective acyclo thioglycosides 10-15 based α-glucosidase and α-amylase inhibitors were synthesized under conventional and ultrasound irradiation, respectively. All derivatives were evaluated for their inhibitory activity against α-glucosidase and α-amylase enzymes. All the synthesized compounds exhibited excellent inhibitory activities against both enzymes (IC50= 1.65- 5.78 µM and 1.49-5.81 µM for α-amylase and α-glucosidase, respectively) compared with the standard drug acarbose (IC50= 18.71 µM and 19.51 µM for α-amylase and α-glucosidase, respectively). The most promising derivatives are those with 4-hydroxy, 4-methoxy and 4-dimethylamino phenyl groups 7, 13, 8, 14 and 5, 11, respectively. The acyclo thioglycosides 10-15 showed lower inhibition compared with the thiol derivatives 3-9. Further structure activity relationship data revealed that the imine and the thiol groups critically control potency. The kinetics of α-amylase and α-glucosidase inhibition by the most potent derivatives 7 and 8 were assayed, where a competitive type of inhibition was concluded. Molecular docking study predicted the possible binding interaction of the most potent compounds with the enzymes and justified the design rationale.

Synthesis of Complex from Nickel(II) salt and 2-imino-3-(2-hydroxy phenyl)-1-thiazolidin-4-one and Study of its Structure and Antimicrobial activity

The ligand 2-imino-3-(2-hydroxy phenyl)-1-thiazolidin-4-one was synthesized by condensation of 2-hydroxy-N-chloroacetylaniline with potassium thiocyanate. The nickel(II) metal complex of the ligand was prepared by refluxing the ligand with hydrated nickel(II)chloride (NiCl 2 6H 2 O) salt under ethanol. Complex of Ni(II) with heterocyclic ligand has been characterized with the help of elemental analysis, magnetic, 1 H-NMR, 13 C-NMR, IR and electronic spectral data. IR spectra exhibit the coordination of the ligands to the metal ion through deprotonated phenolic oxygen and heterocyclic nitrogen. All these studies reveal square planar geometry of Ni(II)complex. Synthesized ligand and its complex have also been screened against two bacterial strains, Escherichia coli and Salmonella-typhi and two fungal strains, Aspergillus niger and Penicillum chrysogenum by ‘paper disc’ technique. It has been observed that the antimicrobial activity of metal complex was higher than that of the free ligands. Keywords: Hetrocyclic ligand, thiazolidinone, (Nickel II) complexes, anti-microbial studies, electronic spectra DOI: 10.7176/CMR/14-1-01 Publication date: January 31 st 2022

A comparative study of bacterial activity of allyl isothiocyanate, phenyl isothiocyanate, and 2- (4- hydroxy phenyl) ethyl isothiocyanate using density functional theory

The main objective of this work is to study and compare the antibacterial activity of some isothiocyanate molecules. Isothiocyanates come under the category of sulfur-containing phytochemicals based on their chemical structure. We choose here three isothiocyanate molecules; Phenyl isothiocyanate (PITC), Allyl isothiocyanate (AITC), and 2-(4-hydroxyphenyl) ethyl isothiocyanate (HEITC), and study their properties using the method of Density-Functional Theory (DFT) of B3LYP/6-31G basis type through Gaussian software and compare their anti-bacterial activity. The optimized structure and optimization parameters of these molecules are found using this approach. The HOMO-LUMO analysis is done and the bandgap energy and global descriptive parameters are calculated. The chemical activity of the molecules is studied through ESP (Electrostatic Potential Energy) mapping. The atomic charge values are obtained through Mulliken population analysis. Thermal analysis of the molecules is carried out and the thermal properties are determined. The chemical reactivity of each molecule is studied based on these analyses and thus the anti-bacterial activity of the molecules is compared. This study implicitly signifies the use of plant-derived compounds for the synthesis of antibiotics for human diseases.

Docking Studies, Synthesis and Evaluation of Novel Pyrimidin-2-one Derivatives As a Dipeptidyl Peptidase IV Inhibitors

Diabetes is a disorder which is characterized by increase in blood glucose level beyond normal value. Now days it is a metabolic disorder and considered as one of the major cause for the death of patients worldwide. Hence there is always a need for the development of newer scaffolds which are useful in treatment of diabetes. In the research computational chemistry plays an important role to discover new possible medicines. In this work, docking analysis has been carried out to study the effects of substituted pyrimidin-2-one on Dipeptidyl peptidase-4 (DPP4). Docking study shows that compound A5 having 2,4-difluorophenyl and 2-hydroxy phenyl group has a potent (IC50 28.13 µM), selective and in vitro efficacious DPP-4 inhibitor. Further molecular modeling revealed compound A5 can fit in the enzyme pocket topologically very well with the pyrimidin-2-one moiety providing hydrogen bond interaction with Glu 205 and Ser 209 of DPP-4. Based on these results, compound A5 might be a promising lead compound for further optimization in the treatment of T2DM.

Cytotoxicity Profile of Calix[4]pyrrole Derivatives on HeLa and MCF-7 Human Cancer Cell Lines via In vitro Study and Molecular Modelling

Amongst significant macromolecules, the cytotoxic activity of calixarene analogs is significant due to their unique biomedical properties. Recently, calix[4]pyrrole have shown remarkable efficacy and have extended new dimensions towards different biomedical and therapeutic applications. Herein, meso-tetra (methyl) meso-tetra (3-methoxy 4-hydroxy phenyl) calix[4]pyrrole (HMCP) have been studied for their remarkable cytotoxic activity against HeLa and human breast adenocarcinoma (MCF-7) cancer cell lines in comparison to its hydrazide derivative, meso-tetra (methyl) meso-tetra (3-methoxy 4-hydroxy phenoxy acetatohydrazide) calix[4]pyrrole (MCPTH). Cytotoxicity assays were studied at varying concentrations where HMCP molecule was very active against cancer cell lines with G150 values less than 10. The cell viability has been examined by SRB assay. The anti-cancerous activity results of HMCP can be potentially extended with applications in cancer therapies. Furthermore, the structure and anti-cancer activity relationship has been supported by molecular docking study of the active compounds against quinone reductase-2 (PDB ID 4ZVM) protein.

Designing and development of electroactive Copper (II) complex with 2-[{4-hydroxy-3-[(Z)-phenyldiazenyl]phenyl}(4-hydroxy phenyl) methyl]benzoic acid for selective determination of Catechol

Designing and development of electroactive Copper (II) complex with 2-[{4-hydroxy-3-[(Z)-phenyldiazenyl]phenyl}(4-hydroxy phenyl) methyl]benzoic acid for selective determination of Catechol

Controlling effect of hydroxyl phenyl aminopropyl cationic surfactants on the catalytic and biological performance of AgNPs

Three Hydroxy phenyl aminopropyl cationic surfactants with different carbon tail length; 8 (HPAPO), 12 (HPAPD), and 16 (HPAPH) have been synthesized successfully. The hydrophobic tail showed a pivotal impact on the morphological structure of the prepared silver nanoparticles (AgNPs) in terms of particles size, stability and yields as confirmed by TEM, DLS and UV-Vis spectroscopy measurements. The prepared AgNPs by HPAPH surfactant has a uniform structure with smaller particles size, and higher stability compared to that prepared by shorter chain length surfactants HPAPO and HPAPD. The HPAPH surfactant lead to formation AgNPs with size 12.9 ± 3.5 nm with high zeta potential 75.9± 6.4 mV indicating for highest stability. The surface and thermodynamic properties of the HPAPO, HPAPD and HPAPH surfactants are dependent on temperature and the hydrophobic tail length. The adsorption affinity is enhanced as temperature or chain length is increased. Increasing the surfactant hydrophobic tail or the solution temperature lead to decreasing the critical micelle concentration (CMC) of the surfactant solution. The hydrophobic chain exhibited a significant impact on the catalytic activity of the AgNPs toward removal some toxic pollutants such as methylene blue (MB) and p-nitrophenol (p-NP). The synthesized AgNPs using longer surfactant tail (HPAPH/AgNPs) showed highest catalytic activity compared to that prepared via shorter chain, which consider a promising study in terms of surfactant chain influence on the catalytic performance. The prepared cationic surfactants have good biological activity which is enhanced in case of in-cooperation with AgNPs. Both HPAPH Surfactant and HPAPH/AgNPs nano-hybrid system trigger maximum inhibition zone against all inspected microorganism, compared to surfactant with shorter chain.

Design, Synthesis, and In Vitro Evaluation of Novel Indolyl DiHydropyrazole Derivatives as Potential Anticancer Agents.

Indoles derived from both natural sources or artificial synthetic methods have been known to interact with aryl hydrocarbon receptors (AhR), and exhibit anticancer activity. In light of these attractive properties, a series of hybrid molecules with structural features of indoles, i.e., those bearing a pyrazoline nucleus, were evaluated for their enhanced anticancer activity. The designed molecules were subjected to molecular docking in order to screen for potential AhR interacting compounds, and the identified indolyl dihydropyrazole derivatives were synthesized. The synthesized compounds were characterized, and their cytotoxicity was evaluated against four human cancer cell lines using the MTT assay. Based on the Glide g-score, H-bonding interactions and bonding energy of 20 candidate molecules were selected for further analysis from the 64 initially designed molecules. These candidate molecules have shown promising anti-proliferative activity against the cell lines tested. Among these candidate molecules, the compounds with hydroxy phenyl substitution on the pyrazoline ring have shown potent activity across all the tested cell lines. The designed scaffold was proven effective for screening potential candidate molecules with anticancer properties, and may be further optimized structurally for yielding the ideal anti-tumorigenic compound for the treatment of various cancers.

MO1011IDENTIFICATION OF EARLY BIOMARKERS OF PERITONEAL MEMBRANE DYSFUNCTION IN CHILDREN ON PERITONEAL DIALYSIS USING METABOLOMICS ANALYSIS -PRELIMINARY RESULTS OF AN ONGOING PROSPECTIVE STUDY

Abstract Background and Aims Peritoneal dialysis (PD) are the main renal replacement treatment for children and adolescents with end stage kidney disease (ESRD). Peritoneal fibrosis is a major complication in long-term PD patients. Aim of the present study is to record the metabolic "fingerprint" of children on PD and to investigate its correlation with PD history and dialysis adequacy as well as the emergence of potential biomarkers that could detect early or predict peritoneal dysfunction. Method Samples of serum, urine and peritoneal effluent collected from 15 children with ESRD on PD. At the same time and 6 months later was performed PET-test as well as assessment of KT/V and creatinine clearance. Samples were subjected to targeted metabolomic analysis of amino acids and derivatives. Regarding metabolic technologies used, all samples (peritoneal fluid, urine, blood) were analyzed by a hydrophilic interaction liquid chromatography coupled to mass spectrometry (HILIC-MS / MS) method previously developed and validated in our laboratory for the simultaneous determination of amino acids and their derivatives in biological fluids. Αalso, high flow analysis was carried out (LC-q-tof analysis – HPLC /MS ). Results Using (HILIC-MS / MS) method, we found out that peritoneal dialysis duration, presence or absence of diuresis and PD creatinine clearance values are associated with significant differences in the levels of several metabolites, including glycine, creatinine, proline and 4-hydroxyproline, leucine, valine, glutamine and glutamic acid. Using (LC-q-tof analysis – HPLC /MS) approximately 200 metabolites were analyzed in the aforementioned samples. Figure 1 illustrates the number of metabolites detected in each matrix, as well as the common metabolites between the three matrices. These metabolites were associated with peritoneal dialysis duration, creatine clearance and presence or absence of diuresis. Several metabolites showed statistical difference between the examined groups. In detail, regarding serum analysis, five metabolites, including hydroxy phenyl acetic acid, glutathione ox, glucosamine-6-P, indole acetic acid and riboflavin showed statistical difference between the examined groups based on PD vintage. Based on urine excretion four metabolites named histidine, shikimic acid, thiamine and methionine were statistically different. Concerning urine analysis, two metabolites namely uridine and itaconic acid showed statistical difference when patients sub grouped based on PD vintage. Peritoneal fluid analysis highlighted one metabolite, uridine, that levels are significantly lower in patients on PD therapy for more than 4 years while based on creatinine clearance levels subgroups, two metabolites, lactate and pantothenic acid present statistically significant difference. Conclusion Metabolomics may be a tool in the evaluation of patients with ESRD on PD as it appears to reflect the clinical phenotype of the patient and the functional phenotype of the peritoneal membrane. Our results are the preliminary results of an ongoing prospective study. Limitation of the study is the small sample of patients, which does not allow safe clinical interpretation.

Discovery of Novel Dihydropyrimidine and hydroxamic acid hybrids as potent Helicobacter pylori Urease inhibitors

Two novel series of Dihydropyrimidine-hydroxamic acid hybrids (4a-4l and 5a-5l) were designed, synthesized and evaluated for in vitro Helicobacter pylori urease inhibition. In vitro enzyme inhibition screening led to the discovery of three potent urease inhibitors 2-[[4-(4-hydroxy phenyl)-6-oxo-1,6-dihydropyrimidine-2-yl]-amino]-N-hydroxy acetamide (4g), 2-[[4-(4-chloro phenyl)-6-oxo-1,6-dihydropyrimidine-2-yl]-amino]-N-hydroxy acetamide (4b) and 3-[[4-(3-methoxy phenyl)-6-oxo-1,6-dihydropyrimidine-2-yl]-amino]-N-hydroxy propanamide (5l). Compound 4g showed excellent urease inhibition with IC50 value of 14 ± 1 nM, indicated by its strong interactions with both metallic Ni++ ions, Gly279, His221, Ala365, Asp362, Asn168, Arg338 and His322 residues of the active site of urease. Further, compounds 4b and 5l displayed very good activity with IC50 value of 0.082 ± 0.004 µM and 0.14 ± 0.013 µM respectively compared to standard Acetohydroxamic acid (IC50 – 27.4 ± 1.2 µM). Kinetic studies revealed that a mixed inhibition with both competitive and non-competitive aspects is involved in the urease inhibition mechanism. The in vitro urease inhibition results were supported by molecular docking studies. Collectively, this study indicates that 4g could be considered as promising lead molecule that can be further developed as a potent drug molecule for the treatment of Helicobacter pylori caused gastritis for further studies.

Catalytic Condensation Reaction between BIS-Phenol a or its Derivatives with Unconjugated Free Fatty Acids.(Dept.P)

The esterification reaction between Bis (4-hydroxy phenyl) propane and unconjugated fatty acids has been catalysed by the presence of one of the oxides of group it elements, viz: Mgo, Cao, Sro and Dao. The reaction was followed by determining the acidity of samples withdrawn periodically from the reaction mixture. The working conditions of applying the alkaline earth metal oxides as catalysts, have been discussed. The optimum conditions for completion of the reaction at the minimum tine are given. Previous work on the effect of Cao on the esterification process draw the attention to investigate the rest of G it elements.

Direct synthesis of a chelating carboxamide derivative and its application for thorium extraction from Abu Rusheid ore sample, South Eastern Desert, Egypt

ABSTRACT Direct synthesis of Pyridine-2,6-dicarboxylic a-+cid bis-(3-hydroxy phenyl)]amide, (Pydca), chelating ligand was applied for Th(IV) extraction from Abu Rusheid Ore Sample, South Eastern Desert, Egypt, between latitudes 24° 37ʹ 16ʹʹ N and longitudes 34° 46 ʹ 35 ʹʹ E and far from the Red Sea coast by about 42 km west, using poly phosphoric acid catalyst (PPA). The synthesis of new amide via direct condensation of organic acid and aromatic amine was performed in DMF at 100°C. The immediate condensation reaction led to construct the carboxamide derivative in one easy step dismantling the hard activation, halogenation, step resulting in a good yield production. This cross-coupling reaction appears simple, convenient and has a wide scope of activities. This protocol could be extended to industrial large-scale production processes. Experimental measurements have been optimised such as diluent type, pH, contact time, initial Th(IV) concentration, temperature, pydca conc., co-existing ions and stripping agents. It was found that a maximum value of Th(IV) retention (0.86 × 10−3 mol/L) is observed with 0.015 mol/L pydca/CCl4 chelating ligand at room temperature. From kinetic aspects, it was found that Th(IV) extraction follows the pseudo-first order kinetic model. The thermodynamic parameters, ΔS, ΔH and ΔG were also evaluated indicating an endothermic and spontaneous extraction process with increasing the randomness of the extraction system. Th(IV) can be completely back extracted from the loaded pydca chelating ligand using 0.5 M HNO3, 1 M H2SO4 and 1 M HCl. Finally, the optimised factors have been applied for Th(IV) recovery from Abu Rusheid Ore Sample, South Eastern Desert, Egypt, producing a thorium oxide concentrate with Th(IV) content of 81.43% with a purity of 92.67%.

Production of hydroxytyrosol from hydroxylation of tyrosol by Rhodococcus pyridinivorans 3HYL DSM109178

Hydroxytyrosol (4-(2-hydroxyethyl)-1,2-benzenediol) is the most known bioactive compound from the plant Olea europaea (olive tree). To date, few biocatalysis processes allowing efficient production of hydroxytyrosol from potential substrates including, tyrosol (2-(4-hydroxy) phenyl ethanol) and tyrosine have been reported. In this paper, we report for a Gram-positive bacterium that produces hydroxytyrosol via conversion of tyrosol and/or L-tyrosine, identified as a Rhodococcus pyridinivorans based on phenotypic characteristics and 16S rDNA sequence, and designated R. pyridinivorans strain 3HYL DSM109178. Interestingly, strain 3HYL shows an outstanding production of hydroxytyrosol from tyrosol up to 16.4 ± 0.23 mmol/L with high kinetic parameters exceeding the reported values. However, a slight downstream metabolism of the product is assigned to the wild-type strain during the stationary phase of growth. The plasmid-cured strain was obtained using random chemical mutagenesis, designated R. pyridinivorans 3HYL-AO, and was able to produce hydroxytyrosol, with yields up to 21.75 ± 0.34 mmol/L. Moreover, the plasmid-cured strain exhibited a significant reduction in the transformation to its acetic acid forms compared to the wild-type strain as depicted by HPLC analysis. Comparison of kinetic data of the bioconversion/accumulation process between the wild type and mutant strain, in the presence and absence of L-tyrosine, and thus suggesting the occurrence of an upstream pathway for synthesis of tyrosol via (L)-tyrosine.

Investigation of in vitro and in silico effects of some novel carbazole Schiff bases on human carbonic anhydrase isoforms I and II

Carbonic anhydrases (CAs, EC4.2.1.1) are metalloenzymes that catalyse reversible hydration reaction of carbon dioxide to bicarbonate and protons. In recent years, there has been a great interest in inhibitors/activators of carbonic anhydrase isoenzymes. Therefore, we investigated the effects of four different carbazole Schiff base derivatives, which are believed to have a potential to be used as a drug, on human carbonic anhydrase (hCA) isoenzymes I and II under in vitro conditions. The IC50 values of carbazole Schiff base derivatives were found to be in the range of 32.09–151.2 μM for hCA isoenzyme I and 21.82–40.54 μM for hCA isoenzyme II. Among all compounds, (E)-3-(((9-Octyl-9H-carbazole-3-yl)imino)methyl)benzene-1,2-diol (C3) had the strongest inhibitory effect on hCA isoenzyme II. It was determined that 2,3,4-trimethoxy and 4-hydroxy phenyl containing carbazole compounds have selective inhibition against hCA II isoenzyme. Docking studies were performed against hCA I and II receptors using induced-fit docking method. The compounds had affinity scores varying from −7.74 ± 0.27 to −6.27 ± 0.07 kcal/mol for hCA I and from −8.04 ± 0.17 to −7.27 ± 0.18 kcal/mol for hCA II. Communicated by Ramaswamy H. Sarma

Hydroxy phenyl hydrazides and their role as corrosion impeding agent: A detail experimental and theoretical study

This study presents synthesis of environmentally benign corrosion inhibitors, hydroxy acetophenone derivative namely, N′-(1-(2-hydroxyphenyl) ethylidene) acetohydrazide (ATOH), N′-(1-(2-hydroxyphenyl) ethylidene) benzohydrazide (BZOH), 2-(1-(2-hydroxyphenyl) ethylidene) hydrazine-1-carbothioamide (TSCOH) and N′-(1-(2-hydroxyphenyl) ethylidene) hydrazinecarbothiohydrazide (TCBOH) and full investigation of their protecting ability against corrosion of MS in 1 M HCl medium. A variety of electrochemical experimental techniques viz., electrochemical impedance spectroscopy, and potentiodynamic polarization coupled with different microscopic techniques viz., scanning electron microscopy, atomic force microscopy, and x-ray photoelectron spectroscopy were run to evaluate the corrosion resistive behaviour of inhibitors. The surface feature of mild steel was further analysed by measuring contact angle in different electrolytic solutions. Furthermore, these wet-chemical experimental outcomes are well complemented from results analysed from ab initio DFT study and MD simulation. Furthermore, the MD simulation outcomes helped in visualization of interaction and thereby adsorption of inhibitors on Fe (110) surface.

Diastereoselective Construction of trans-2-Alkyl-6-aryl-3,6-dihydro-2H-pyrans via Dehydrogenative Cycloetherification Promoted by DDQ.

A diastereoselective synthesis of trans-2-alkyl-6-aryl-3,6-dihydro-2H-pyrans has been described. Dehydrogenative cycloetherification of (E)-(±)-1-aryl-5-hydroxy-1-alkenes promoted by DDQ proceeded cleanly via 6-endo cyclization to afford trans-2-alkyl-6-aryl-3,6-dihydro-2H-pyrans (32 examples) in good yield (up to 89%) and with moderate to excellent diastereoselectivity (up to 99:1). The synthetic utility of the method was illustrated by the second total synthesis of (±)-(2R,6S)-3,4-dehydro-1,7-bis(4-hydroxy phenyl)-4'-de-O-methyl centrolobine and a total synthesis of (±)-centrolobine.

Copper(II) ions mediated crystal formation of 3-(3-hydroxy phenyl)-1-phenyl-1h-pyrazole- 4-carbaldehyde

Schiff base obtained from 3-hydroxyacetophenone and phenylhydrazine was subjected to Vilsmeier-Haack reaction to obtain 3-(3-hydroxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde (2). Successful formation of crystals of 2 was achieved using copper ions (Cu2+) as template. Present paper reports study of spectroscopic characterization and single-crystal X-ray study of 2. Hydrogen bonding network between 2 and water molecules enable the formation of 2D layer along ab-plane supported also by π···π stacking interactions of parallel molecules in head-to-head fashion.
 
 KEY WORDS: Cu2+ assisted crystal growth, Pyrazole-4-carbaldehyde, X-ray crystal study, Hydrogen bonding study
 
 Bull. Chem. Soc. Ethiop. 2020, 34(3), 589-596.
 DOI: https://dx.doi.org/10.4314/bcse.v34i3.13