Experimental and in silico insights: interaction of dimethyl sulphoxide with 1-hexyl-2-methyl imidazolium bromide/1-octyl-2-methyl imidazolium bromide at different temperatures.

Ionic liquids have gained attention as 'designer solvents' since they offer a broad spectrum of properties that can be tuned by altering the constituent ions. In this work, 1-alkyl-2-methyl imidazolium-based ionic liquids with two different alkyl chains (alkyl = hexyl and octyl) have been synthesized and characterized. Since the binary mixture of ionic liquids with molecular solvents can give rise to striking physicochemical properties, the interaction of the synthesized room temperature ionic liquids, 1-hexyl-2-methyl imidazolium bromide [HMIM][Br]/1-octyl-2-methyl imidazolium bromide [OMIM][Br] with DMSO has been examined through density and specific conductance at T = (303.15, 308.15, 313.15 and 318.15) K under atmospheric pressure. The obtained molar volume and excess molar volume are fitted to the Redlich-Kister polynomial equation, and the standard deviation is noted. The positive excess molar volume at elevated temperatures indicates volume expansion due to the mutual loss of dipolar association and differences in the sizes and shapes of the constituent molecules. To have a better understanding of the reactivity and efficacy of 1-hexyl-2-methyl imidazolium bromide and 1-octyl-2-methyl imidazolium bromide with DMSO, the Becke, 3-parameter, Lee-Yang-Parr (B3LYP) correlation function of density functional theory (DFT) has been used. The ORCA Program version 4.0 calculates the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy. The effective reactivities of both the compounds that showed an energy band gap (ΔE), i.e., the difference between ELUMO and EHOMO, are 7.147 and 8.037 kcal mol-1.

Integrative study of Permian coal-bearing horizons: biostratigraphy, palaeovegetation, and palaeoclimate in the South Karanpura Basin.

The article deals with the integrated and comprehensive study of the coal-bearing horizons from the South Karanpura Basin to delineate the biostratigraphy, palaeovegetation, palaeodepositional settings, and palaeoclimate in and around the investigated area during the deposition of Permian sediments. Highly diversified megafloral assemblages consist 13 genera and 72 species of order Glossopteridales, Cordaitales and Equisetales are documented among which 37 taxa are newly reported from Barakar and Raniganj formations of the area. Palynoassemblages-I and -II are recovered, which demonstrate the biostratigraphic age as Kungurian and Wordian-Capitanian, respectively. Overall the vegetation represents a luxuriant forest subjugated by arborescent deciduous trees bearing Glossopteris foliage with some conifers, cordaites, filicales, and peltaspermales. The biomarker study of the basin illustrates the unimodal distribution of n-alkanes in the sample set ranges from C14 to C29 which suggests major input from a single source of organic matter. The involvement of microbial activity and algal input is suggested for the basin. A relatively moderate-to-high water level condition can be inferred from elevated n-C25. The high CIA, PIA values and A-CN-K plot suggest intense weathering conditions in the source area. The source rocks are characterized by mature clayey type with abundant clay mineral, i.e., kaolinite. The current study portrays that the Permian climate was cooler in initial phase, which later on became warm temperate with high humidity. The palaeofloral entities and geochemical parameters suggest absolute diversification of Permian flora, the existence of continental freshwater setting in the vicinity and oxic to anoxic environment with fluctuating ground water conditions during the deposition of sediments.

Lower Permian Gondwana sequence of Rajhara (Daltonganj Coalfield), Damodar Basin, India: floristic and geochemical records and their implications on marine ingressions and depositional environment.

Early Permian floral diversity and palaeodepositional environment of the Lower Permian Rajhara sequence of Damodar Basin have been studied based on mega-, microfossil and geochemical proxies. Even though Gondwana sediments are generally considered as fluvio-lacustrine deposits, recent studies indicate marine inundations with patchy records. Here in the present study, an attempt has been made to address the changeover from fluviatile to shallow marine conditions and also to address the palaeodepositional aspects. Luxuriant vegetation during deposition of the Lower Barakar Formation generated thick coal seams. The macroplant fossil assemblage shows Glossopteridales, Cordaitales and Equisetales comprising one palynoassemblage with the dominance of bisaccate pollen grains having glossopterid affinities. However, Lycopsids are absent in the megafloral record and are represented in megaspore assemblage. The present floral assemblage led to envisage the presence of dense forest with swampy conditions and prevalence of warm and humid climate during the deposition of Barakar sediments. Correlation with the coeval Indian assemblages and those from other Gondwanan continents also supports an Artinskian age and reveals a stronger affinity with flora of Africa than that of South America. Biomarker analysis reveals low pristane/phytane values (0.30-0.84), noticeable absence of hopanoid triterpenoids and long-chain n-alkanes that is attributed to the obliteration of organic compounds and subsequent alteration of composition due to thermal effect. The high chemical index of alteration, A-CN-K plot and PIA also suggest severe denudation under a warm/humid climate. The V/Al2O3 and P2O5/Al2O3 indicated freshwater-near-shore conditions. However, signature of possible marine influence is identified from Th/U and Sr/Ba ratios resulted from the eustatic fluctuations during Permian.

Designing of gradient scaffolds and their applications in tissue regeneration.

Gradient scaffolds are isotropic/anisotropic three-dimensional structures with gradual transitions in geometry, density, porosity, stiffness, etc., that mimic the biological extracellular matrix. The gradient structures in biological tissues play a major role in various functional and metabolic activities in the body. The designing of gradients in the scaffold can overcome the current challenges in the clinic compared to conventional scaffolds by exhibiting excellent penetration capacity for nutrients & cells, increased cellular adhesion, cell viability & differentiation, improved mechanical stability, and biocompatibility. In this review, the recent advancements in designing gradient scaffolds with desired biomimetic properties, and their implication in tissue regeneration applications have been briefly explained. Furthermore, the gradients in native tissues such as bone, cartilage, neuron, cardiovascular, skin and their specific utility in tissue regeneration have been discussed in detail. The insights from such advances using gradient-based scaffolds can widen the horizon for using gradient biomaterials in tissue regeneration applications.

Complete mitochondrial genome sequence of E. suratensis revealed by next generation sequencing.

The complete mitochondrial genome of Etroplus suratensis, the Green chromide cichlid, was determined for the first time through NGS method. The genome is 16,467 bp (Accession no. KU301747) in length and consisted of 13 protein-coding genes, 22 tRNA genes, 2 rRNA genes and one control region. Organization of genes and their order are in accordance with other vertebrates. The overall base composition on plus strand was A: 28.3%, G: 15.2%, C: 30.9%, T: 25.6%, and the A + T content 53.9%. The control region contains a putative termination-associated sequence and three conserved sequence blocks. This mitogenome sequence data would play an important role in population genetics and phylogenetics of cichlid fish of India.

Reversible mutarotation in a macrocyclic ytterbium complex.

M40 is a four-fold symmetry macrocyclic ligand endowed with axial and central chiral elements, all of R configuration. It promptly binds late lanthanides (Yb(III) and Lu(III) ) yielding a negative helicity, as witnessed by NIR-electronic circular dichroism. In the course of a few hours, a new conformation of the complex takes over, which has opposite helicity and allows for a dynamic free-bound equilibrium. Upon slow solvent evaporation, the original conformation is retrieved and the whole dynamic process can be started again, as in a sandclock, allowing one to envisage applications as a time-marker chiral switch.

Interactions between quercetin and warfarin for albumin binding: A new eye on food/drug interference.

The interaction between quercetin, a popular antioxidant flavonoid, and human serum albumin (HSA) is investigated and characterized by means of induced circular dichroism and saturation transfer difference NMR. These techiques demonstrate the reversible binding of quercetin to the carrier protein, which is responsible for its dissolution in aqueous medium. Competition experiments with two classical probes for HSA binding sites, namely Ibuprofen and Warfarin (a common anticoagulant coumarin), demonstrate that quercetin has a primary binding site located in the subdomain IIA, where coumarins are hosted. The affinity for this site is large and we found that quercetin may effectively displace warfarin from HSA. This may have relevant consequences in rationalizing the interferences of common dietary compounds and food supplements to anticoagulant treatments.