Discovery of Aporphine Analogues as Potential Antiplatelet and Antioxidant Agents: Design,Synthesis, Structure–Activity Relationships,Biological Evaluations,and in silico Molecular Docking Studies

To explore the potential of aporphine alkaloids, a novel series of functionalized aporphine analogues with alkoxy (OCH₃, OC₂H₅, OC₃H₇) functional groups at C1/C2 of ring A and an acyl (COCH₃ and COPh) or phenylsulfonyl (SO₂Ph and SO₂C₆H₄‐3‐CH₃) functionality at the N6 position of ring B of the aporphine scaffold were synthesized and evaluated for their arachidonic acid (AA)‐induced antiplatelet aggregation inhibitory activity and 2,2‐diphenyl‐1‐picrylhydrazyl (DPPH) free‐radical‐scavenging antioxidant activity, with acetylsalicylic acid and ascorbic acid as standard references, respectively. The preliminary structure–activity relationship related to AA‐induced platelet aggregation inhibitory activity results showed that the aporphine analogues 1‐[1,2,9,10‐tetramethoxy‐6a,7‐dihydro‐4H‐dibenzo[de,g]quinolin‐6(5H)‐yl]ethanone and 1‐[2‐(benzyloxy)‐1,9,10‐trimethoxy‐6a,7‐dihydro‐4H‐dibenzo[de,g]quinolin‐6(5H)‐yl]ethanone to be the best compounds of the series. Moreover, the DPPH free‐radical‐scavenging antioxidant activity results demonstrated that the aporphine analogues 1,2,9,10‐tetramethoxy‐6‐(methylsulfonyl)‐5,6,6a,7‐tetrahydro‐4H‐dibenzo[de,g]quinoline, 2‐ethoxy‐1,9,10‐trimethoxy‐6‐(methylsulfonyl)‐5,6,6a,7‐tetrahydro‐4H‐dibenzo[de,g]quinoline, 1‐ethoxy‐2,9,10‐trimethoxy‐6‐(methylsulfonyl)‐5,6,6a,7‐tetrahydro‐4H‐dibenzo[de,g]quinoline, 2,9,10‐trimethoxy‐6‐(methylsulfonyl)‐1‐propoxy‐5,6,6a,7‐tetrahydro‐4H‐dibenzo[de,g]quinoline, and 1‐(benzyloxy)‐2,9,10‐trimethoxy‐6‐(methylsulfonyl)‐5,6,6a,7‐tetrahydro‐4H‐dibenzo[de,g]quinoline were the best compounds of the series. Moreover, in silico molecular docking simulation studies of the active analogues were also performed.     

Identification of Oxidized Phosphatidylinositols Present in OxLDL and Human Atherosclerotic Plaque

Oxidized low-density lipoprotein (OxLDL) plays an important role in initiation and progression of atherosclerosis. Proatherogenic effects of OxLDL have been attributed to bioactive phospholipids generated during LDL oxidation. It is unknown what effect oxidation has on the phosphatidylinositol (PtdIns) molecules in LDL, even though PtdIns is 6% of the total LDL phospholipid pool. We sought to identify and quantitate oxidized phosphatidylinositol (OxPtdIns) species in OxLDL and human atherosclerotic plaque. Bovine liver PtdIns was subjected to non-enzymatic and lipoxygenase-catalyzed oxidation. Reversed-phase liquid chromatography with negative ESI–MS identified and confirmed compounds by fragmentation pattern analysis from which an OxPtdIns library was generated. Twenty-three OxPtdIns molecules were identified in copper-oxidized human LDL at 0, 6, 12, 24, 30, and 48 h, and in human atherosclerotic plaque. In OxLDL, OxPtdIns species containing aldehydes and carboxylates comprised 17.3 ± 0.1 and 0.9 ± 0.2%, respectively, of total OxPtdIns in OxLDL at 48 h. Hydroperoxides and isoprostanes at 24 h (68.5 ± 0.2 and 22.8 ± 0.2%) were significantly greater than 12 h (P < 0.01) without additional changes thereafter. Hydroxides decreased with increased oxidation achieving a minimum at 24 h (5.2 ± 0.3%). Human atherosclerotic plaques contained OxPtdIns species including aldehydes, carboxylates, hydroxides, hydroperoxides and isoprostanes, comprising 18.6 ± 4.7, 1.5 ± 0.7, 16.5 ± 7.4, 33.3 ± 1.1 and 30.2 ± 3.3% of total OxPtdIns compounds. This is the first identification of OxPtdIns molecules in human OxLDL and atherosclerotic plaque. With these novel molecules identified we can now investigate their potential role in atherosclerosis.     

Surfactant assisted synthesis and spectroscopic characterization of selenium nanoparticles in ambient conditions

In this work, an attempt has been made to synthesize well-distributed stable selenium (Se) particles of nanosize dimensions via an aqueous micellar solution by the assistance of surfactants of two different polarities (anionic, sodium bis(2-ethylhexyl)sulfosuccinate (AOT) and cationic, hexadecyltrimethylammonium bromide (CTAB)). The morphology of the particles was examined with transmission electron microscopy (TEM). X-ray analysis reveals that the particles have a monoclinic structure. The band gap of the particles was determined from UV-visible optical spectroscopic results. The size variation was estimated by employing a quantum confinement effect equation. The evolution of the selenium nanoparticles in AOT and CTAB micellar media was corroborated with the time-dependent absorption spectra. The influence of hydrazine hydrate concentrations on the formation kinetics of Se nanoparticles was also investigated. The capping ability of the surfactants has been quantitatively evaluated from Fourier transform infrared (FTIR) studies.     

Fabrication of poly (vinyl alcohol)/ovalbumin/cellulose nanocrystals/nanohydroxyapatite based biocomposite scaffolds

Biocomposite scaffolds composed of PVA, ovalbumin, cellulose nanocrystals, and nanohydroxyapatite were fabricated by freeze-drying method. The results revealed that the different fractions of nanohydroxyapatite and cellulose nanocrystals provide the mechanical strength and stiffness to the desired biocomposite scaffolds. In vitro biomineralization showed the formation of apatite onto the surface of obtained biocomposite scaffolds and increased as amount of nanohydroxyapatite increased. The obtained results suggest that the different combinations of these four biomaterials can be used to fabricate highly porous scaffolds with desired mechanical performance and degradation rate by adjusting ratio for potential use in low load-bearing applications.     

Removal of tin from dilute solutions

The fluidised bed cell of inert glass beads is an electrolytic reactor which is designed to provide higher ion‐transfer conditions during electrolysis, thus enabling metals to be removed efficiently from dilute solutions. The effectiveness of the method as a means of removing metals from effluent to meet discharge consent levels is studied for the in situ removal of tin from dilute solution (concentration range 0.25–1.00 gdm⁻³). The results show that the combination of high mass transport conditions and a moderately high electrode surface area per unit electrode volume provides a system for continuous removal of metal from dilute solutions. The effects of acid concentration, tin concentration, current density, fluidised bed agitation, electrode spacing, type of electrode and lead impurities on the removal of tin are reported and expressed in terms of the percentage removal of tin (α_Sn), the efficiency of tin deposition (ϕ_Sn), and the energy consumption (W_Sn) for 1 kg of tin deposited. The results show that tin can, under optimised conditions, be removed from dilute solutions to a residual concentration of 0.001 gdm⁻³. © 2001 Society of Chemical Industry     

Simultaneous recovery of heavy metals and degradation of organic species – copper and ethylenediaminetetra‐acetic acid (EDTA)

In mixed industrial effluent the presence of metal ions can retard the destruction of organic contaminants and the efficiency of recovery of metal is reduced by the presence of the organic species. Results are presented for a copper–ethylenediaminetetra‐acetic acid (EDTA) system in which both effects occur. An electrochemical cell alone can be used to recover copper in pH range 1.5–4.5 but is not capable of achieving complete mineralisation of EDTA by anodic oxidation. A photolytic cell alone can achieve the destruction of EDTA at pH 3.5 but leaves copper in solution. A combined photolytic–electrochemical system using an activated carbon concentrator cathode achieves the rapid simultaneous destruction of EDTA and recovery of copper. © 2000 Society of Chemical Industry     

Nano–bio surface interactions,cellular internalisation in cancer cells and e‐data portals of nanomaterials: A review

Nanomaterials (NMs) have abundant applications in areas such as electronics, energy, environment industries, biosensors, nano devices, theranostic platforms, etc. Nanoparticles can increase the solubility and stability of drug‐loaded materials, enhance their internalisation, protect them from initial destruction in the biological system, and lengthen their circulation time. The biological interaction of proteins present in the body fluid with NMs can change the activity and natural surface properties of NMs. The size and charge of NMs, properties of the coated and uncoated NMs, nature of proteins, cellular interactions direct their internalisation pathway in the cellular system. Thus, the present review emphasises the impact of coated, uncoated NMs, size and charge, nature of proteins on nano–bio surface interactions and on internalisation with specific focus on cancer cells. The increased activity of NPs may also result in toxicity on health and environment, thus emphasis should be given to assess the toxicity of NMs in the medical field. The e‐data sharing portals of NMs have also been discussed in this review that will be helpful in providing the information about the chemical, physical, biological properties and toxicity of NMs.     

Estimation of heat source model parameters for twin-wire submerged arc welding

Heat source models are mathematical expressions that represent the generation term in the fundamental heat transfer equation. Investigators have successfully demonstrated different heat source models for single-wire welding. The present investigation estimates the double ellipsoidal heat source model parameters for twin-wire application. The heat source model parameters have been estimated for varying set of welding conditions. It has been found that the heat source model parameters for twin-wire welding are different from the single-wire welding. Moreover, the heat source model parameters also depend upon process parameters. Effects of welding current, electrode polarity and wire diameter on the size of heat source model have been presented. Flux consumption is also found to play a significant role in deciding the heat source model parameters.