Risk of depression in subjects with type 2 diabetes Is modulated by a genetic variant within DRD4 gene: North Indian diabetes-depression link exploration study (NIDDLES)

The role and relevance of DRD4 gene SNPs for the risk of depression in type 2 diabetes remains to be clarified. To investigate its association, present cross sectional study was conducted on 399 type 2 diabetics who were diagnosed for depression using primary health care questionnaire-9 (PHQ-9) > 10 criteria. 191 subjects were depressed whereas, 208 subjects were found to be clinically non-depressed. Minor allele frequencies of two DRD4 SNPs rs1800955 and rs747302 were 0.45, 0.42 and 0.42, 0.34 in depressed and non depressed subjects respectively. C allele of rs747302 showed risk of depression (OR 1.41 95% CI 1.05- 1.87, P= 0.024) in comparison to G allele. It has been observed that carriers of CC genotype had approximately double the risk of depression (OR 1.96 95% CI 1.08- 3.56, P= 0.03) than GG carriers and this risk manifests in recessive mode

Understanding of the Weak Intermolecular Interactions Involving Halogens in Substituted <i>N</i>‑Benzylideneanilines: Insights from Structural and Computational Perspectives

The C–F group, which is found in a large number of small organic molecules and drugs available in the market, has still not been fully understood in terms of the strength and directionality of the interactions offered by this group in guiding the formation of crystal lattices. In this manuscript, we have tried to understand the role played by the C–F group, using a model system of <i>N</i>-benzylideneanilines, on which we have previously done a systematic study with fluorine as a substituent on both rings. The effect on the packing of these molecules by replacing one of the fluorine atoms by either Cl or Br has been comprehended in this manuscript. It was observed that the features of the difluorinated analogues remained intact when the noninteracting fluorine atom was replaced by Cl or Br, while with the replacement of the interacting fluorine by Cl or Br, completely different packing characteristics were found to be developed. To quantify the strength of the interactions offered by “organic fluorine”, stabilization energies of the dimers (which has been found to interact through the C–H···F hydrogen bond) have been calculated by Gaussian 09 at the MP2 level using a 6-31+G* basis set. These values were found to be between −0.3 and −6.0 kcal/mol. To study the topological properties of the interacting molecular pair, AIM calculations have also been done using AIM2000. In the studied dimers, the existence of bond critical points (BCPs) at the C–H···F hydrogen bond have always been seen and Laplacian at those BCPs has also been found to be positive, which is clearly an indication of a closed shell type of interaction between the C–H and F–C groups

Applications of thin-layer chromatography in extraction and characterisation of ajoene from garlic bulbs

<div><p></p><p></p><p></p><p>Novel and inexpensive methods of thin-layer chromatography (TLC) were employed for the extraction, characterisation and mechanism of quorum sensing inhibition by ajoene, a component from toluene garlic bulb (<i>Allium sativum</i> L.) extract (TGE). TLC profiling of TGE was carried out using ethyl acetate as solvent. Out of total spots extracted from TLC, four spots exhibited quorum sensing inhibitory (QSI) potential. Among those, spot 5 was identified as Z-ajoene by TLC and confirmed by NMR and MS. HPLC analysis indicated 97.7% purity for purified ajoene. TLC densitometric analysis quantified 221.08 μmol/g of ajoene in TGE and indicated that ajoene is stable at 4°C and at acidic pH. HPTLC profiling showed that ajoene exhibits QSI effect by inhibiting the production of both long-chain acyl homoserine lactones and <i>Pseudomonas</i> quinolone signal (PQS) by <i>P. aeruginosa</i> and also by inactivating PQS molecules.</p></div

Structural Investigation of Weak Intermolecular Interactions in Fluorine Substituted Isomeric <i>N</i>‑Benzylideneanilines

The study of the influence of aromatic C–F group in directing crystal packing is an important area of current research. The role of the aromatic C–F group in the formation of weak intermolecular interactions in the absence of strong hydrogen bond donors and acceptors has been analyzed in a series of 15 newly synthesized fluorine substituted (mono- and di-) isomeric <i>N-</i>benzylideneanilines. It was observed that five compounds (out of a total number of 15) were liquids at room temperature, while others have low melting points (<60 °C). <i>In situ</i> crystallization, using an optical heating and crystallization device (OHCD), has been used to crystallize and determine the crystal structures of three out of five compounds which were found to be liquids at 25 °C. A detailed investigation of the molecular conformation and the crystal packing in these compounds reveals that the presence of organic fluorine acts as a significant contributor in the construction of various supramolecular synthons, essentially using a variety of C–H···F intermolecular interactions. These have been found to generate different three-dimensional arrangements of molecules in the crystalline framework. In order to realize the stabilizing influence exerted by such weak interactions, intermolecular C–H···F interaction energies have been calculated using Firefly to quantify the strength of such interactions. Lattice energy calculations have been performed and the individual energies, namely, the Coulombic, polarization, dispersion, and repulsive contributions to the lattice energy have been determined using the CLP program. In addition to these, theoretical calculations have been performed at the density functional theory level, and the experimental geometry has been compared with the optimized geometry to highlight the importance of molecular conformation in the solid and gas phase. It is of interest to note that stabilization resulting from the presence of C–H···F interactions, albeit less, is not negligible and does contribute toward crystal packing

Fabrication of iron oxide nanocolloids using metallosurfactant-based microemulsions: antioxidant activity, cellular, and genotoxicity toward <i>Vitis vinifera</i>

<p>The present work aims at the fabrication of iron oxide nanocolloids using biocompatible microemulsion and their cytotoxic, genotoxic effect on <i>Vitis vinifera</i> plant has been evaluated. The three iron-based metallosurfactant complexes were synthesized. Nanosuspensions (Ns) were prepared using microemulsion technique and for the purpose, the microemulsion was prepared using oleic acid, butanol, tween 80 and as synthesized iron metallosurfactant. In this technique, no additional capping agent and/or reducing agent was added. Tween 80 which is a biocompatible surfactant acted as a reducing agent as well as stabilizing for the iron oxide Ns. Characterization of Ns’s was done using TEM, FESEM, EDX, XRD, AFM, and zeta potential. Mixed type of iron oxide nanoparticles i.e. magnetite (Fe₃O₄), and maghemite (Fe₂O₃) with a size range of 1–16 nm was found to be present in the nanosuspensions prepared from all the three precursors. The antioxidant activity of the Fe Ns was also confirmed using DPPH assay, with order of activity FeDDA > FeCTAC > FeHEXA. The cellular toxicity of Ns was evaluated by observing the morphological changes on <i>V. vinifera</i> plant (petiole) using a light microscope. Further, the interactions of iron oxide Ns with <i>V. vinifera’s</i> DNA (plant-DNA) was assessed using circular dichroism (CD) and gel electrophoresis. For the case of FeCTAC Ns, a decrease in the intensity of bands was observed indicating fragmentation or adduct formation resulting in DNA damage. In the case of FeDDA, a modest decrease in the intensity of bands was observed. However, for FeHEXA Ns, complete neutralization of bands was confirmed implying maximum damage to the plant DNA. CD, gel electrophoresis and antioxidant activity confirmed that FeHEXA Ns were most toxic and FeDDA Ns were safest among the three as-fabricated nanosuspensions.</p

Twin-Tail Surfactant Peculiarity in Superficial Fabrication of Semiconductor Quantum Dots: Toward Structural, Optical, and Electrical Features

A solitary tread hydrothermal synthesis of lead telluride (PbTe) and copper telluride (Cu_{(2–<i>x</i>)}Te) nanoparticles (NPs) at 150 °C was carried out using cationic twin-tail surfactant (TTS) dimethylenebis­(dodecyldimethylammonium bromide) (12-2-12) as a capping agent. UV–vis and X-ray diffraction (XRD) have been employed to elaborate about structural and physicochemical aspects of NPs. The morphology and the capping behavior have been revealed through scanning electron microscopy (SEM), Fourier transform infrared spectroscopy (FTIR), and transmission electron microscopy (TEM). Electron micrographs clearly demonstrated the formation of cubic shaped PbTe NPs with average size distribution ≅ 20 ± 5 nm. A perversely spherical morphology has been observed for Cu_{(2–<i>x</i>)}Te NPs with average size ≅15 ± 6 nm. The interactions of the adsorbed capping surfactant TTS on the metal surface and alignment of the molecules were confirmed from FTIR studies. The crystallite sizes and lattice strain on the peak broadening of the NP have been measured using Williamson–Hall analysis and the size–strain plot method. The optical band gap energy of NP, as determined from the absorbance spectrum, was 0.5 eV for lead telluride, while that for copper telluride was 3.4 eV owing to quantum confinement driven shift from bulk materials to nanoscale. The electrical conductivity of lead telluride and copper telluride was found to be 0.01–0.07 and 2.18–10.1 S cm^–1, respectively

Multifaceted Approach for the Fabrication of Metallomicelles and Metallic Nanoparticles Using Solvophobic Bisdodecylaminepalladium (II) Chloride as Precursor

A one-pot synthesis of solvophobic bisdodecylaminepalladium­(II) chloride (<b>complex 1</b>) was performed. <b>Complex 1</b> was characterized using X-ray crystallography and other techniques, namely, mass spectrometry, Fourier transform infrared, NMR, elemental analysis, etc. A multifaceted approach was taken to explore the potential applications of <b>complex 1</b>. The micellization ability of <b>complex 1</b> was estimated using conductivity method in <i>n</i>-alcohols. The metallomicelles are formed in alcohols, and the process is thermodynamically spontaneous in nature. Using <b>complex 1</b> as precursor, palladium (Pd) nanoparticles were fabricated using two-phase redox method, where reduction is being performed in core of metallomicelles formed by <b>complex 1</b> in dichloromethane (DCM). The micellization in DCM is confirmed by small-angle X-ray scattering (SAXS). The SAXS measurements reveal that the micellar of core 4–5 nm is being formed, which further controls the size of nanoparticle. This approach was advantageous in terms of size control, methodology, and yield. Pd nanoparticles were characterized using transmission electron microscopy, energy-dispersive X-ray spectroscopy, X-ray diffraction, and UV–visible spectroscopy and were also screened for bovine serum albumin interactions. <b>Complex 1</b> and Pd nanoparticles were found to possess antimicrobial property with broad spectrum and are active against bacteria and fungi. The cytotoxicity analyses were performed over healthy cells (Vero cell lines extracted from kidney of green monkey), and the results reveal IC₅₀ value of 10 μg/mL for <b>complex 1</b>

Multifaceted Approach for the Fabrication of Metallomicelles and Metallic Nanoparticles Using Solvophobic Bisdodecylaminepalladium (II) Chloride as Precursor

A one-pot synthesis of solvophobic bisdodecylaminepalladium­(II) chloride (<b>complex 1</b>) was performed. <b>Complex 1</b> was characterized using X-ray crystallography and other techniques, namely, mass spectrometry, Fourier transform infrared, NMR, elemental analysis, etc. A multifaceted approach was taken to explore the potential applications of <b>complex 1</b>. The micellization ability of <b>complex 1</b> was estimated using conductivity method in <i>n</i>-alcohols. The metallomicelles are formed in alcohols, and the process is thermodynamically spontaneous in nature. Using <b>complex 1</b> as precursor, palladium (Pd) nanoparticles were fabricated using two-phase redox method, where reduction is being performed in core of metallomicelles formed by <b>complex 1</b> in dichloromethane (DCM). The micellization in DCM is confirmed by small-angle X-ray scattering (SAXS). The SAXS measurements reveal that the micellar of core 4–5 nm is being formed, which further controls the size of nanoparticle. This approach was advantageous in terms of size control, methodology, and yield. Pd nanoparticles were characterized using transmission electron microscopy, energy-dispersive X-ray spectroscopy, X-ray diffraction, and UV–visible spectroscopy and were also screened for bovine serum albumin interactions. <b>Complex 1</b> and Pd nanoparticles were found to possess antimicrobial property with broad spectrum and are active against bacteria and fungi. The cytotoxicity analyses were performed over healthy cells (Vero cell lines extracted from kidney of green monkey), and the results reveal IC₅₀ value of 10 μg/mL for <b>complex 1</b>

Image_1_Genome wide association studies for acid phosphatase activity at varying phosphorous levels in Brassica juncea L.tiff

Acid phosphatases (Apases) are an important group of enzymes that hydrolyze soil and plant phosphoesters and anhydrides to release Pi (inorganic phosphate) for plant acquisition. Their activity is strongly correlated to the phosphorus use efficiency (PUE) of plants. Indian mustard (Brassica juncea L. Czern & Coss) is a major oilseed crop that also provides protein for the animal feed industry. It exhibits low PUE. Understanding the genetics of PUE and its component traits, especially Apase activity, will help to reduce Pi fertilizer application in the crop. In the present study, we evaluated 280 genotypes of the diversity fixed foundation set of Indian mustard for Apase activity in the root (RApase) and leaf (LApase) tissues at three- low (5µM), normal (250µM) and high (1mM) Pi levels in a hydroponic system. Substantial effects of genotype and Pi level were observed for Apase activity in both tissues of the evaluated lines. Low Pi stress induced higher mean RApase and LApase activities. However, mean LApase activity was relatively more than mean RApase at all three Pi levels. JM06016, IM70 and Kranti were identified as promising genotypes with higher LApase activity and increased R/S at low Pi. Genome-wide association study revealed 10 and 4 genomic regions associated with RApase and LApase, respectively. Annotation of genomic regions in the vicinity of peak associated SNPs allowed prediction of 15 candidates, including genes encoding different family members of the acid phosphatase such as PAP10 (purple acid phosphatase 10), PAP16, PNP (polynucleotide phosphorylase) and AT5G51260 (HAD superfamily gene, subfamily IIIB acid phosphatase) genes. Our studies provide an understanding of molecular mechanism of the Apase response of B. juncea at varying Pi levels. The identified SNPs and candidate genes will support marker-assisted breeding program for improving PUE in Indian mustard. This will redeem the crop with enhanced productivity under restricted Pi reserves and degrading agro-environments.</p

Probing the Microstructure of Nonionic Microemulsions with Ethyl Oleate by Viscosity, ROESY, DLS, SANS, and Cyclic Voltammetry

Microemulsions are important formulations in cosmetics and pharmaceutics and one peculiarity lies in the so-called “phase inversion” that takes place at a given water-to-oil concentration ratio and where the average curvature of the surfactant film is zero. In that context, we investigated the structural transitions occurring in Brij 96-based microemulsions with the cosmetic oil ethyl oleate and studied the influence of the short chain alcohol butanol on their structure and properties as a function of water addition. The characterization has been carried out by means of transport properties, spectroscopy, DLS, SANS, and electrochemical methods. The results confirm that the nonionic Brij 96 in combination with butanol as cosurfactant forms a U-type microemulsion that upon addition of water undergoes a continuous transition from swollen reverse micelles to oil-in-water (O/W) microemulsion via a bicontinuous region. After determining the structural transition through viscosity and surface tension, the 2D-ROESY studies give an insight into the microstructure, i.e., the oil component ethyl oleate mainly is located at the hydrophobic tails of surfactant while butanol molecules reside preferentially in the interface. SANS experiments show a continuous increase of the size of the structural units with increasing water content. The DLS results are more complex and show the presence of two relaxation modes in these microemulsions for low water content and a single diffusive mode only for the O/W microemulsion droplets. The fast relaxation reflects the size of the structural units while the slower one is attributed to the formation of a network of percolated microemulsion aggregates. Electrochemical studies using ferrocene have been carried out and successfully elucidated the structural transformations with the help of diffusion coefficients. An unusual behavior of ferrocene has been observed in the present microheterogeneous medium, giving a deeper insight into ferrocene electrochemistry. NMR-ROESY experiments give information regarding the internal organization of the microemulsion droplets. In general, one finds a continuous structural transition from a W/O over a bicontinuous to an O/W microemulsion, however with a peculiar network formation over an extended concentration range, which is attributed to the somewhat amphiphilic oil ethyl oleate. The detailed knowledge of the structural behavior of this type of system might be important for their future applications