Search

Objectives: Military flying is a complex task and requires high level of physical fitness of aviators. Various aviation stressors such as acceleratory force, hypoxia, cold weather conditions and decompression sickness place enormous stress on human physiological systems of the aviators. Individuals with Hb Materials and Methods: Twenty-five individuals with anaemia and 15 healthy controls participated in the study. The participants were subjected to normobaric hypoxia (NH) equivalent to an altitude of 15,000 feet. Different physiological parameters such as heart rate (HR), systolic and diastolic blood pressure (SBP and DBP), respiratory rate (fR) and arterial oxygen saturation (SpO2) were measured during NH. Participants also performed maximal aerobic capacity (VO2 max) and maximal anaerobic capacity test in bicycle ergometer. Results: HR, SBP, DBP and fR in anaemic subjects were higher than healthy controls during NH, whereas SpO2 in anaemic subjects was lower as compared to healthy controls. Anaemic individuals had a lower VO2 max than their healthy counterparts. Critical power and anaerobic work capacity were lower in anaemic subjects than healthy controls. Conclusion: There is a deterioration in exercise capacity and hypoxia tolerance in individuals with low Hb levels. Adequate precaution should be exercised for permitting military aviators to fly with low Hb level.

A field experiment was conducted during kharif season of 2016 and 2017 at Regional Research and Technology Transfer Sub-Station, Umerkote of Odisha University of Agriculture and Technology comes under Eastern Ghat High Zone of Odisha, India to assess the response of integrated nutrient management on yield and economics of rainfed maize. The experiment was laid out in randomized block design with six treatments replicated four times. The experimental soils were strongly acidic, non-saline, loamy sand, low in organic carbon, available N, P, B, Zn and medium in available K contents. The maximum 100 seeds weight (38.86 g), stover yield (9.57 t ha-1), grain yield (7.65 t ha-1), net return (INR 50,711 ha-1) and B:C ratio (1.98) were recorded in soil test based N:P:K:B:Zn (i.e. N:P2O5:K2O:S:B:Zn @ 150:75:60:1.25:6.25 kg ha-1) + lime @ 0.1 LR + FYM @ 5 t ha-1 (T6) followed by soil test based N:P:K:Zn @ 150:75:60:1.25: 6.25 kg ha-1 + lime @ 0.1 LR (T5) over control (i.e Farmers Practice N:P:K:Zn @ 160:80:45:0:0 kg ha-1). Hence, it could be concluded that application of soil test based N:P:K:B:Zn @ 150:75:60:1.25:6.25 kg ha-1 + lime 0.1 LR + FYM @ 5 t ha-1 recorded better yield (7.65 t ha-1) and income (INR 50,711 ha-1) as compared to other treatments as well as farmers practice.

Nanotechnology is a multidisciplinary science in the fields of Physics, Chemistry and Biology. Nanoparticles have a large surface area to volume ratio and high surface energy. Due to this characteristic feature; it opens up new scope for its various applications. In this study, we have reported the synthesis of silver nanoparticles (AgNP) from silver nitrate (AgNO3) using the underutilized fruit of Elaeagnus pyriformis fruit juice in an optimized reaction. During synthesis, solution color changes from yellow to brownish due to reduction of Ag⁺ into Ag⁰ (AgNP) by phytocompounds (fatty acid and its derivatives) of E. pyriformis fruit juice. To know the presence and involvement of bioactive compounds as a reducing and capping agent the AgNPs were extensively characterized by UV-Vis spectroscopy, SEM (Scanning electron microscopy), FESEM (Field emission scanning electron microscopy), EDX (Energy-dispersive X-ray), XRD (X-ray diffraction analysis)and FTIR (Fourier transformed infrared spectroscopy). Furthermore, the antioxidant efficacy of AgNP was determined and significant antimicrobial activity was recorded against human pathogenic micro organisms. To know the efficacy as a potent anticancerous agent, in-silico molecular docking analysis was done using anti-apoptotic protein Bcl-XL and preliminary results indicate that AgNPs may have the potency to combat cancer by manipulating apoptosis.

Mn(II), Ni(II), Cu(II) complexes with the ionic liquid-supported Schiff base 1-{2-(2-hydroxy-5-chlorobenzylamine)ethyl}-3-methylimidazolium tetrafluoroborate (primary ligand) and 1-methyl imidazole (secondary ligand) and were synthesized and characterized by PXRD, SEM, ESI-MS, UV-Visible, FT-IR, 1H NMR, 13CNMR spectroscopic and various analytical (elemental analysis and magnetic susceptibility measurements) methods. Based on these spectra and spectral data hexa coordinated geometries were assigned for the synthesized mixed ligand metal (II) complexes. Antimicrobial activity of the mixed ligand Mn(II), Ni(II), Cu(II) complexes with respect to the Schiff base against two gram positive (Staphylococcus aureus and Bacillus cereus) and two were gram negative (Escherichia coli and Klebsiella pneumoniae) were conducted to assess their antibacterial activities. The Schiff base along with the mixed ligand complexes exhibited very significant responses for gram positive and negative bacterial samples though maximum inhibition zone was produced by Ni(II) complex while the minimum inhibition zone was produced by Cu(II) complex in plates of Staphylococcus aureus.

Clerodendrum inerme is a perennial shrub belonging to the family Lamiaceae and is used in many of the herbal preparations of Siddha and Ayurveda in India. Ethnomedicinally, the leaves of this plant are used to cure various ailments. In spite of enormous ethnomedicinal implications, proper chemical profiling and characterization of isolated compounds of C. inerme still remains unaddressed. Present study involves the characterization and chemical profiling of phytoconstituents from leaf extract which promise to be of immense therapeutic significance. Two compounds namely squalene and linolenic acid methyl ester were isolated from the leaves of C. inerme employing column chromatography technique. The structures were elucidated by spectroscopic methods including FTIR, 1H NMR and 13C NMR. Subsequently, antioxidant and antimicrobial activities of the isolated compounds were estimated in-vitro. Pertaining results were validated with in silico molecular docking-based investigations which revealed that both the compounds displayed high binding affinities with the target proteins of the antioxidant pathway commonly targeted for drug development.

Two water soluble complexes with CoII and CuII ions were synthesized using a novel β-cyclodextrin based azo-functionalized Schiff base as a ligand. The Schiff base and its metal complexes were characterized by different physico-chemical and spectroscopic methods. From the analyses of the experimental data, distorted octahedral geometry has been assigned for both the metal complexes. The binding interactions between the metal complexes and DNA were investigated by means of a thermal denaturation study and viscosity measurements as well as by electronic absorption and fluorescence spectroscopy. The DNA cleavage efficacy of the metal complexes was also studied by agarose gel electrophoresis using pBR DNA. These studies revealed that both the metal complexes followed an intercalative mode of binding to calf thymus (CT)-DNA and also effectively cleaved the supercoiled pBR DNA. The CoII complex, however, more efficiently cleaved CT-DNA than the CuII complex as much as the experimental results are concerned.

A coordination geometry inter­mediate between square-planar and tetra­hedral, defined by an N2O2 donor set, is found in the title CuII complex. Conventional O—H⋯O and N—H⋯O hydrogen bonding leads to a supra­molecular layer in the crystal., The crystal and mol­ecular structures of the title CuII complex, isolated as a dihydrate, [Cu(C21H14N3O3)2]·2H2O, reveals a highly distorted coordination geometry inter­mediate between square-planar and tetra­hedral defined by an N2O2 donor set derived from two mono-anionic bidentate ligands. Furthermore, each six-membered chelate ring adopts an envelope conformation with the Cu atom being the flap. In the crystal, imidazolyl-amine-N—H⋯O(water), water-O—H⋯O(coordinated, nitro and water), phenyl-C—H⋯O(nitro) and π(imidazol­yl)–π(nitro­benzene) [inter-centroid distances = 3.7452 (14) and 3.6647 (13) Å] contacts link the components into a supra­molecular layer lying parallel to (101). The connections between layers forming a three-dimensional architecture are of the types nitro­benzene-C—H⋯O(nitro) and phenyl-C—H⋯π(phen­yl). The distorted coordination geometry for the CuII atom is highlighted in an analysis of the Hirshfeld surface calculated for the metal centre alone. The significance of the inter­molecular contacts is also revealed in a study of the calculated Hirshfeld surfaces; the dominant contacts in the crystal are H⋯H (41.0%), O⋯H/H⋯O (27.1%) and C⋯H/H⋯C (19.6%).

C–S cross-coupling reaction in water giving an excellent yield of the desired C–S coupled product by using a newly developed Bis[2-(4,5-diphenyl-1H-imidazol-2-yl)-4-nitrophenolato] copper(II) dehydrate complex as catalyst. Although it was the first report of the synthesis of such a novel organo-copper complex from our laboratory, its potential catalytic application was not tested so far. Keeping this in mind and based on our anticipation, we developed a greener route for the C–S coupling reaction. The result is very interesting and comprises the subject matter of this report.

This is the first reported, unconventional, efficient strategy for the synthesis of quinoxaline from 2 to iodo benzoic acid and sodium azide in presence of organo Cu (II) catalyst. Herein, a very simple, versatile one pot multi-component protocol for the synthesis of biologically active compound, quinoxaline has been described via Schmidt reaction and the nucleophilic substitution reaction. The isolated compounds were characterized by 1H NMR, 13C NMR. Our reported organo catalyst was characterized by single crystal XRD, SEM.

A new metal-organic hybrid complex [Bis(picolinate-κ2N:O)Copper(II)] di(benzene-1,3,5- tricarboxylic acid) was synthesized hydrothermally. Physico-chemical characterization of the complex was perfomed with FTIR spectroscopy, single crystal X-ray diffraction, TGA, EPR, SQUID and FESEM. Single crystal X-ray diffraction study revealed that the complex crystallizes in a monoclinic form with space group P1 21/c 1. The unit cell dimensions are a = 4.9853 (4), b = 13.1082 (5), c = 21.6616 (8) A; the axial angles are α = 90°, β = 91.230° (6) and γ = 90°. The asymmetric unit of the title complex is composed of a Cu(II) ion and two 2-picolinic acid anions. The Cu(II) ion occupies the centre of symmetry coordinated through two pyridine nitrogen atoms and two oxygen atoms of the carboxyl group giving rise to a slightly distorted square planar coordination environment. EPR and SQUID studies revealed it to be a stable paramagnetic material. The stability of the complex was well justified by thermogravimetric and DFT studies.

A new Schiff base ligand, H2L, and its Zn(II) complex were prepared and characterized by different analytical and spectroscopic techniques. The elemental analysis results suggest the stoichiometry of the complex to be 1:1. The molar conductance study shows the non-electrolytic nature of the complex. Infrared spectra reveal that the metal ion is coordinated in tetradentate fashion which was further confirmed by NMR study. The synthesized complex was found to interact with CT-DNA quite efficiently. The DNA binding study of the complex was explored by UV-vis and viscosity measurement. Fluorescence titration studies and the experimental results suggest that the complex might bind to DNA via an intercalative mode. The in silico target prediction and molecular docking experiments confirm that, apart from high interaction potentiality with nucleotides, the complex has possible implications in carcinogenesis, too.

Abstact Metal-organic hybrid complexes often exhibit large surface area, pore volume, fascinating structures and potential applications including catalytic applications. Hence a new metal-organic hybrid complex [Diaquo{bis(p-hydroxybenzoato-κ1O1)}(1-methylimidazole- κ1N1)}copper(II)] was synthesized using conventional method. Physico-chemical characterization of the complex was performed with FTIR spectroscopy, single crystal X-ray diffraction, TGA, EPR and FESEM. Single crystal X-ray diffraction study suggests it to be three dimensional with space group P212121 (orthorhombic). The crystal achieves its three-dimensional structure and stability through extensive intermolecular hydrogen bonding. Hirshfeld surface analysis, catalytic activity and DFT study of the complex was also performed. The synthesized complex acts as good catalyst in benzimidazole synthesis with good recyclability as catalyst up to 5th run.

Schiff-base polydentate ligands types of salen and salophen can form stable complexes with Zn2+ and these metal complexes can act as a source of zinc (Zn) to plant's body if they are used as micronutrient supplements. Inspired by these facts, four different Schiff-base ligands and their Zn2+ complexes were first synthesized and then characterized by different analytical and spectroscopic techniques. To investigate their effects local chickpea seeds were treated with each ligands and complexes and different morphological and biochemical parameters were monitored. Among all the complexes and ligands it was found that the C4 complex, that is, [N,N'-(o-phenylene)bis-(3-methoxysalicylidenediamine)] monohydrate showed the maximum efficacy when treated as a micronutrient supplement for Cicer arietinum L. So that these complexes especially the C4 can act as an potential source of Zn.

Molecular assembly has become a promising strategy for designing new polydentate ligands. But very often such ligands and their complexes are sparingly soluble in aqueous phase due to their intrinsic hydrophobic character. Pd(II) complexes are good homogeneous catalysts but their poor solubility in aqueous phase may limit their catalytic efficacy in the universal green solvent water. However, solubility related challenges especially in aqueous phase can be mitigated through the formation of inclusion complexes by exploiting the hydrophobic nature of the β-cyclodextrin (β-CD) cavity. Hence, an ionic liquid ChCD (1) was synthesized from β-CD and Choline bromide (ChBr). Next a supramolecular N, N′, O-tridentate ligand 1⊂2 (3) was synthesized by the inclusion of 2,6-diaminopyridine (2) in the hydrophobic β-CD cavity of the ionic liquid ChCD (1) and was well characterized by elemental analysis, UV-visible, FTIR, 1H NMR spectroscopy, etc. The stoichiometry of the inclusion complex 1⊂2 (3) was found to be 1:1 based on UV-visible spectrophotometric study. A new air stable, highly water soluble Pd2+-complex [κ3-N, N′, O-Pd(1⊂2)H2O]OAc (4) was then synthesized from the supramolecular ligand (3) with 1:1 stoichiometry and used as a catalyst for Suzuki cross-coupling reactions in water at ambient temperature with good to excellent yields. The catalyst can be removed and recycled. Additionally, the use of non-toxic solvent water makes the methodology green, sustainable, and economically viable.

Changes in hydration layer of a solute in presence of a cosolute are crucial in understanding structural organisation of water molecules around the solute. Thermodynamic and transport properties can provide valuable information in this regard. The effect of sodium gluconate (NaG) on the hydration behaviour and taste quality of nicotinic acid (NA) were studied through apparent molar volumes ( φ V ), partial molar volumes ( φ V 0 ) at infinite dilution, apparent specific volumes ( φ ASV ), viscosity B -coefficients and solvation numbers ( S n ) in (0.00, 0.02, 0.04, and 0.06) mol ⋅ kg − 1 aqueous sodium gluconate solutions at T = (298.15–318.15) K under atmospheric pressure. The results have been explored in terms of solute-solvent and solute-cosolute interactions occurring in the studied solutions. UV–Visible absorption spectra of the solutions also stand in support of the results obtained.

International audience; Metal-organic hybrid complexes often exhibit large surface area, pore volume, fascinating structures and diversified potential applications. Hence a new metal-organic hybrid complex [{Diaquo(3,5-dinitrobenzoato-κ1O1)(1,10-phenanthroline-κ2N1:N10)}copper(II)] 3,5-dinitrobenzoate, i.e., [Cu(C7H3N2O6)(C12H8N2)(H2O)2](C7H3N2O6) was synthesized hydrothermally. Physico-chemical characterization of the complex was performed with FTIR spectroscopy, single crystal X-ray diffraction, TGA, EPR, SQUID and FESEM. Single crystal X-ray diffraction study suggests it to be three dimensional with space group P1211 (monoclinic). The unit cell dimensions are a = 9.3085 (5), b = 5.9069 (2) and c = 25.0995 (12) Å; the axial angles are α = 90°, β = 96.790 (4)° and γ = 90°. The asymmetric unit contains a penta-coordinated CuII ion coordinated to two H2O molecules, two N-atoms of 1,10-phenanthroline and O-atom of the carboxylic group of 3,5-dinitrobenzoic acid in a distorted square pyramidal geometry. The crystal achieves its three-dimensional structure and stability through extensive inter- and intra-molecular hydrogen bonds mediated through non-coordinated 3,5-dinitrobenzoate moieties. TGA, EPR, Hirshfeld topology analysis and SQUID studies revealed it to be a stable and weakly antiferromagnetic material.

Apparent molar volumes, apparent molar adiabatic compressibilities and viscosity B-coefficients for metformin hydrochloride in aqueous d-glucose solutions were determined from solution densities, sound velocities and viscosities measured at T = (298.15–318.15) K and at pressure p = 101 kPa as a function of the metformin hydrochloride concentrations. The standard partial molar volumes ( $$ \phi_{V}^{0} $$ ) and slopes ( $$ S_{V}^{*} $$ ) obtained from the Masson equation were interpreted in terms of solute–solvent and solute–solute interactions, respectively. Solution viscosities were analyzed using the Jones–Dole equation and the viscosity A and B coefficients discussed in terms of solute–solute and solute–solvent interactions, respectively. Adiabatic compressibility ( $$ \beta_{s} $$ ) and apparent molar adiabatic compressibility ( $$ \phi_{\kappa }^{{}} $$ ), limiting apparent molar adiabatic compressibility ( $$ \phi_{\kappa }^{0} $$ ) and experimental slopes ( $$ S_{\kappa }^{*} $$ ) were determined from sound velocity data. The standard volume of transfer ( $$ \Delta_{t} \phi_{V}^{0} $$ ), viscosity B-coefficients of transfer ( $$ \Delta_{t} B $$ ) and limiting apparent molar adiabatic compressibility of transfer ( $$ \Delta_{t} \phi_{\kappa }^{0} $$ ) of metformin hydrochloride from water to aqueous glucose solutions were derived to understand various interactions in the ternary solutions. The activation parameters of viscous flow for the studied solutions were calculated using transition state theory. Hepler’s coefficient $$ (d\phi /dT)_{p} $$ indicated the structure making ability of metformin hydrochloride in the ternary solutions.

The densities and viscosities of thiamine hydrochloride (vitamin-B1) in aqueous tetrabutylammonium hydrogen sulphate (Bu4NHSO4) solutions with several molal concentrations (mBu4NHSO4 = 0.000, 0.005, 0.010, 0.015 and 0.020mol ⋅ kg‐1) of Bu4NHSO4 were determined at T = (298.15, 308.15 and 318.15) K under atmospheric pressure. Using experimental data apparent molar volume (φV), standard partial molar volume (φV0), the slope (SV), standard isobaric partial molar expansibility (φE0) and its temperature dependence(∂ φE0/∂ T)P, the viscosity B-coefficient and solvation number (Sn), etc., were determined. Viscosity B-coefficients were further utilized to obtain the free energies of activation of viscous flow per mole of the solvents (Δμ10 ≠) and of the solute (Δμ20 ≠). Effects of molality, solute structure and temperature on all these parameters were analyzed in term of ion-ion and ion-solvent interactions; results revealed that the solutions are characterized predominantly by ion-solvent interactions and thiamine hydrochloride behaves as a long-range structure maker.

The densities and viscosities of lactose monohydrate in aqueous ascorbic acid solutions with several molal concentrations m=(0.00-0.08)molkg(-1) of ascorbic acid were determined at T=(298.15-318.15)K and pressure p=101kPa. Using experimental data apparent molar volume (ϕV), standard partial molar volume (ϕV(0)), the slope (SV(∗)), apparent specific volumes (ϕVsp), standard isobaric partial molar expansibility (ϕE(0)) and its temperature dependence [Formula: see text] the viscosity B-coefficient and solvation number (Sn) were determined. Viscosity B-coefficients were further employed to obtain the free energies of activation of viscous flow per mole of the solvents (Δμ1(0≠)) and of the solute (Δμ2(0≠)). Effects of molality, solute structure and temperature and taste behavior were analyzed in terms of solute-solute and solute-solvent interactions; results revealed that the solutions are characterized predominantly by solute-solvent interactions and lactose monohydrate behaves as a long-range structure maker.

Densities and viscosities for the solutions of nicotinic acid in aqueous sodium malonate solutions with several molalities ( m sodium malonate = 0.000, 0.005, 0.010, 0.015 and 0.020 mol · kg - 1 ) of sodium malonate were determined at T = (298.15–318.15) K and at pressure p = 101 kPa. Apparent molar volume ( ϕ V standard partial molar volume ( ϕ V 0 the slope ( S V ∗ ), standard isobaric partial molar expansibility ( ϕ E 0 ) and its temperature dependence ( ∂ ϕ E 0 / ∂ T ) P , the viscosity B-coefficient and solvation number ( S n ), etc., were determined. Using the experimental data viscosity B-coefficients were further utilized to obtain the free energies of activation of viscous flow per mole of the solvents ( Δ μ 1 0 ≠ ) and of the solute ( Δ μ 2 0 ≠ ). Effects of molality, solute structure and temperature on all these parameters were analyzed in term of ion–ion and ion–solvent interactions; results revealed that the solutions are characterized predominantly by ion–solvent interactions and nicotinic acid behaves as a long-range structure maker.

Apparent molar volumes and viscosity B -coefficients for betaine hydrochloride in aqueous uracil solutions were determined from solution densities and viscosities measured at T = (298.15–318.15) K and at pressure p = 101 kPa as a function of betaine hydrochloride concentrations. The standard partial molar volumes ϕ V 0 and slopes S V ∗ obtained from Masson equation were interpreted in terms of solute–solvent and solute–solute interactions, respectively. Solution viscosities were analyzed using Jones–Dole equation and the viscosity A and B coefficients discussed in terms of solute–solute and solute–solvent interactions, respectively. The standard volume of transfer Δ t ϕ V 0 and viscosity B -coefficients of transfer ( Δ t B ) of betaine hydrochloride from water to aqueous uracil solutions were derived to understand various interactions in the ternary solutions. The activation parameters of viscous flow for the studied solutions were discussed in terms of transition state theory. The structure making or breaking ability of betaine hydrochloride was discussed in terms of the sign of d ϕ E 0 / dT P .

Apparent molar volumes and viscosity B-coefficients for paracetamol in aqueous sodium malonate solutions were determined from solution densities and viscosities measured at T = (298.15 to 318.15) K and at pressure p = 101 kPa as a function of paracetamol concentrations. The standard partial molar volumes ( ϕ V 0 ) and slopes ( S V ∗ ) obtained from Masson equation were interpreted in terms of (solute + solvent) and (solute + solute) interactions, respectively. Solution viscosities were analyzed using Jones–Dole equation and the viscosity A and B coefficients discussed in terms of (solute + solute) and (solute + solvent) interactions, respectively. The standard volume of transfer ( Δ t ϕ V 0 ) and viscosity B-coefficients of transfer ( Δ t B ) of paracetamol from water to aqueous sodium malonate solutions were derived to understand various interactions in the ternary solutions. The activation parameters of viscous flow for the studied solutions were discussed in terms of transition state theory. The structure making or breaking ability of Paracetamol was discussed in terms of the sign of ( d ϕ E 0 / dT ) P .

The densities and viscosities of l-ascorbic acid (vitamin C) in aqueous tetrabutylammonium hydrogen sulfate (Bu4NHSO4) solutions at several different concentrations of Bu4NHSO4 ( $$ m_{{{\text{Bu}}_{4} {\text{NHSO}}_{4} }} $$ = 0.000, 0.005, 0.010, 0.015 and 0.020 mol·kg−1) were determined at T = (298.15–318.15) K under atmospheric pressure. Using these experimental data, values of the apparent molar volume ( $$ \phi_{V} $$ ), standard partial molar volume ( $$ \phi_{V}^{ 0} $$ ), the slope ( $$ S_{V}^{ *} $$ ), standard isobaric partial molar expansibility ( $$ \phi_{E}^{ 0} $$ ) and its temperature derivative $$ ({{\partial \phi_{E}^{ 0} } \mathord{\left/ {\vphantom {{\partial \phi_{E}^{ 0} } {\partial T}}} \right. \kern-0pt} {\partial T}})_{p} $$ , the viscosity B-coefficient and solvation number ( $$ S_{\text{n}} $$ ), etc., were determined. Viscosity B-coefficients were further utilized to obtain the Gibbs energies of activation of viscous flow per mole of the solvents ( $$ \Delta \mu_{ 1}^{ 0\ne } $$ ) and of the solute ( $$ \Delta \mu_{ 2}^{ 0\ne } $$ ). The effects of molality, solute structure and temperature on all these parameters were analyzed in term of ion–ion and ion–solvent interactions, which revealed that the solutions are characterized predominantly by ion–solvent interactions and l-ascorbic acid behaves as a long-range structure maker.

Four novel ionic liquid tagged azo-azomethine derivatives (L1-L4) have been prepared by the condensation reaction of azo-coupled ortho-vaniline precursor with amino functionalised imidazole derivative and the synthesized derivatives (L1-L4) have been characterized by different analytical and spectroscopic techniques. Molecular docking studies were carried out to ascertain the inhibitory action of studied ligands (L1-L4) against the Main Protease (6LU7) of novel coronavisrus (COVID-19). The result of the docking of L1-L4 showed a significant inhibitory action against the Main protease (Mpro) of SARS-CoV-2 and the binding energy (ΔG) values of the ligands (L1-L4) against the protein 6LU7 have found to be −7.7 Kcal/mole (L1), −7.0 Kcal/mole (L2), −7.9 Kcal/mole (L3), and −7.9 Kcal/mole (L4).The efficiency of the ligands has been compared with the FDA approved and clinically trial drugs such as remdesivir, Chloroquin and Hydroxychloroquin and native ligand N3 of main protease 6LU7 to ascertain the inhibitory potential of the studied ligands (L1-L4) against the protein 6LU7. Pharmacokinetic properties (ADME) of the ligands (L1-L4) have also been studied.

Highlights • Six azo imidazole derivatives have been synthesized and characterized by spectroscopic and analytical tools. • Inhibitory potential against main protease (6LU7) have been investigated using computational techniques. • Binding energy of the ligands has found in the range −6.7 Kcal/mole to −8.1 Kcal/mole. • The order of the ligands towards the protein 6LU7 are L5> L4≈L6>L1>L2>L3., A series of six novel imidazole anchored azo-imidazole derivatives (L1-L6) have been prepared by the simple condensation reaction of azo-coupled ortho-vaniline precursor with amino functionalised imidazole derivative and the synthesized derivatives (L1-L6) have been characterized by different analytical and spectroscopic techniques. Molecular docking studies were carried out to ascertain the inhibitory action of studied ligands (L1-L6) against the Main Protease (6LU7) of novel coronavirus (COVID-19). The result of the docking of L1-L6 showed a significant inhibitory action against the Main protease (Mpro) of SARS-CoV-2 and the binding energy (ΔG) values of the ligands (L1-L6) against the protein 6LU7 have found to be -7.7 Kcal/mole (L1), -7.4 Kcal/mole (L2), -6.7 Kcal/mole (L3), -7.9 Kcal/mole (L4), -8.1 Kcal/mole (L5) and -7.9 Kcal/mole (L6). Pharmacokinetic properties (ADME) of the ligands (L1-L6) have also been studied., Graphical abstract Image, graphical abstract

An ionic liquid-supported Schiff base 1-{2-(2-hydroxy-5-chlorobenzylamine) ethyl}-3-methylimidazolium tetrafluoroborate and its Co(II), Ni(II), Cu(II), Mn(III), Fe(III) and Cr(III) complexes were synthesized and characterized by various analytical (elemental analysis, molar conductance and magnetic susceptibility measurements) and spectroscopic (PXRD, SEM, ESI-MS, UV-Visible, FT-IR, $$^{ 1}\hbox {H NMR}$$ and $$^{13}\hbox {C-NMR}$$ ) methods. Based on these spectral data and spectra, tetra coordinated and hexacoordinated geometries were assigned for the synthesized metal complexes. Molar conductance of the complexes showed their (1:2) electrolytic nature. The Schiff base ligand and its complexes were screened for in vitro antimicrobial activities against some naturally available gram positive and gram negative bacteria to assess their inhibition potentials. Maximum inhibition zone was produced by the Cu(II) complex (5a) in plates of Klebsiella pneumoniae while the minimum inhibition zone was produced by in plates of Bacillus cereus. Transition metal complexes synthesized from an ionic liquid-supported Schiff base have been characterized by various spectroscopic and analytical techniques. Based on the experimental data, it was suggested that the metal ions be coordinated by the ligand in 1:2 ratio. The complexes were explored against Gram-positive and Gram-negative bacteria.

Excess properties calculated from the literature values of experimental density and viscosity in N,N-dimethylformamide (DMF) + 1,4-dioxane (DO) fluid binary mixtures (from 303.15 to 318.15) K can lead us to test the different correlation equations as well as their corresponding relative functions. Inspection of the Arrhenius activation energy Ea and the enthalpy of activation of viscous flow ∆H* shows very close values; here we can define partial molar activation energy Ea1 and Ea2 for DMF and DO, respectively, along with their individual contribution separately. Correlation between the two Arrhenius parameters of viscosity in all compositions shows the existence of the primary distinct behaviours separated by particular mole fractions in DMF. In addition, we add that the correlation between Arrhenius parameters reveals interesting Arrhenius temperature (TA), which is closely related to the vaporisation temperature in the liquid–vapour equilibrium; moreover, the limiting corresponding partial mola...

Mn(II) and Co(II) complexes of an ionic liquid-based Schiff base, 1-{2-(2-hydroxybenzylideneamino)ethyl}-3-methylimidazolium bromide, were synthesized and characterized by various analytical and spectroscopic methods such as elemental analysis, UV-Visible, FT-IR, 1H NMR, ESI-MS and magnetic susceptibility measurement. These studies indicated tetrahedral geometry for the complexes. The Schiff base ligand and its complexes were tested for in vitro antibacterial activities to assess their inhibiting potentials against Escherichia coli and Lactobacillus sp.

In this study we investigated the effects of sodium pyruvate on the solution thermodynamics of glycine in terms of the solute-solute and solute-solvent interactions in aqueous solutions. Measured density and viscosity were used to derive apparent molar volumes (?V), standard partial molar volumes (?V0) and viscosity B-coefficients at 298.15, 303.15 K, 308.15, and 318.15 K under ambient pressure. The interactions are further discussed in terms of ion-dipolar, hydrophobic- hydrophobic, hydrophilic-hydrophobic group interactions. The activation parameters of viscous flow were also discussed in terms of transition state theory. The overall results indicated that ion-hydrophilic and hydrophilic-hydrophilic group interactions are predominant in the ternary solutions.

International audience; Of late, hydrothermal synthesis has gained much interest in the synthesis of metal–organic hybrid complexes with fascinating architectures and topologies. Product formation in such syntheses often depends on the nature of solvents, counter ions, pH and the ligand geometry. Copper-1,10-phenanthroline, or similar ligand systems, have been very popular in supramolecular chemistry over the years. Hence, a new metal–organic hybrid complex poly[diaquo(1,10-phenanthroline-κ2N1:N10)(μ2-sulphato-κ2O:O′)copper(II)], i.e., [Cu(C12H8N2)(H2O)2(μ-SO4)]n was synthesized by the hydrothermal method. Physico-chemical characterization of the complex was done using FTIR spectroscopy, single crystal X-ray diffraction, TGA, EPR, SQUID and FESEM. Single crystal X-ray diffraction studies revealed it to be three-dimensional with space group I2/c (monoclinic) and the unit cell dimensions are a = 7.0081 (3), b = 13.8198 (7) and c = 14.2897 (8) Å; the axial angles are α = 90°, β = 99.282 (5)° and γ = 90°. It features chains in which two successive pairs of Cu(II) ions are connected by SO4 bridges and Cu(II) ions, each coordinated to two H2O molecules and two N-atoms of 1,10-phenanthroline, and the title complex has a distorted octahedral geometry. The alternating polymeric chains are connected through extensive hydrogen bonds between two O-atoms of SO4 bridges from one chain and H atoms of the two coordinated H2O molecules of another chain in the three dimensional architecture. Alternating chains are shifted with respected to each other leading to the formation of zigzag channels within the crystal structure. EPR and SQUID studies revealed the paramagnetic nature of the complex.

Densities ( ρ ), viscosities ( η ), ultrasonic speeds ( u ) and refractive indices ( n D ) of the binary blends of 1,4-dioxane (DO) with ethylenediamine (EDA), 1,2-dichloroethane (DCE) and monoethanolamine (MEA) were measured at T = (298.15–318.15) K under atmospheric pressure over the entire composition range. Various experimental data were utilized to estimate the excess molar volumes ( V m E ), excess viscosities ( η E ), excess molar refractions ( R m E ), excess isentropic compressibility ( κ S E ), excess intermolecular free length ( L f E ), etc., and analyzed in terms of molecular interactions and structural effects. Partial molar volumes ( V ¯ m , 1 0 and V ¯ m , 2 0 ) and excess partial molar volumes ( V ¯ m , 1 0,E and V ¯ m , 2 0,E ) at infinite dilution of the components were derived and discussed in terms of volume changes. Prigogine–Flory–Paterson theory and Peng–Robinson equation of state were used to predict V m E and η values of the blends. IR spectra of the blends were correlated to the molecular interactions therein the blends.

Two water-soluble zinc(II) complexes of β-cyclodextrin-based Schiff bases, viz., mono-6-deoxy-6-(4-(5-chloro-2-hydroxybenzylideneamino)-3,4-diaminotolune)-β-cyclodextrin (4a) and mono-6-deoxy-6-(4-(5-nitro-2-hydroxybenzylideneamino)-3,4-diaminotolune)-β-cyclodextrin (4b) have been synthesized and characterized by different analytical and spectroscopic techniques. These Zn(II) complexes were analyzed for their possible activity against oxidative stress through various biochemical methods. A detailed antioxidant profile directly associated with inflammation related carcinogenesis and several oxidative stress related disorders have been prepared with a motive to evaluate the free radical scavenging activities of the synthesized complexes. The immune cell cytotoxic properties (through MTT assay) and in vitro assay for the evaluation of their antioxidant activities against hydroxyl radical, nitric oxide, singlet oxygen, peroxynitrate and hydrogen peroxide, etc. were investigated. Obtained results clearly demonstrated the role of reactive oxygen species in various phases of oxidative stress related diseases; thus, the antioxidant and free radical scavenging capacities of the two synthesized Zn(II) complexes seems to stand in support of their beneficial effects and novelty for the immune system.

Co(II), Ni(II) and Cu(II) complexes of an ionic liquid-supported Schiff base 1-{2-[(2-hydroxy-5-bromobenzylidene)amino]ethyl}-3-ethylimidazolium tetrafluoroborate were synthesized and characterized by various analytical and spectroscopic methods such as elemental analysis, UV-Visible, FT-IR, $$^{1}$$ H NMR, ESI MS, molar conductance and magnetic susceptibility measurements. Based on the spectral studies, tetra coordinated geometry was proposed for the complexes and molar conductance of the complexes revealed their electrolytic nature. The synthesized Schiff base and its complexes were evaluated for in vitro antibacterial activities against Gram positive and Gram negative bacteria. The complexes along with the Schiff base showed very significant biological activity against the tested bacteria. Co(II), Ni(II) and Cu(II) complexes bearing an ionic liquid-supported Schiff base 1-{2-[(2-hydroxy-5-bromobenzylidene)amino]ethyl}-3-ethylimidazolium tetrafluoroborate as ligand, is reported. The spectral and magnetic susceptibility measurements suggest that the bidentate ligand coordinates to the central metal ion through the azomethine nitrogen and phenolic oxygen atoms, yielding a square planar complex.

Two Cu(II) complexes of an ionic liquid based Schiff base 1-{2-(2-hydroxybenzylideneamino) ethyl}-3-methylimidazolium hexaflurophosphate, were prepared and characterized by different analytical and spectroscopic methods such as elemental analysis, magnetic susceptibility, UV-Vis, IR, NMR and mass spectroscopy. The Schiff base ligand was found to act as a potential bidentate chelating ligand with N, O donor sites and formed 1:2 metal chelates with Cu(II) salts. The synthesized Cu(II) complexes were tested for biological activity.