Investigation of the impacts of simple electrolytes and hydrotrope on the interaction of ceftriaxone sodium with cetylpyridinium chloride at numerous study temperatures.

Herein, interactions between cetylpyridinium chloride (CPC) and ceftriaxone sodium (CTS) were investigated applying conductivity technique. Impacts of the nature of additives (e.g. electrolytes or hydrotrope (HDT)), change of temperatures (from 298.15 to 323.15 K), and concentration variation of CTS/additives were assessed on the micellization of CPC + CTS mixture. The conductometric analysis of critical micelle concentration (CMC) with respect to the concentration reveals that the CMC values were increased with the increase in CTS concentration. In terms of using different mediums, CMC did not differ much with the increase in electrolyte salt (NaCl, Na2SO4) concentration, but increased significantly with the rise of HDT (NaBenz) amount. In the presence of electrolyte, CMC showed a gentle increment with temperature, while the HDT showed the opposite trend. Obtained result was further correlated with conventional thermodynamic relationship, where standard Gibb's free energy change (ΔGmo), change of enthalpy (ΔHmo), and change of entropy (ΔSmo) were utilized to investigate. The ΔGmo values were negative for all the mixed systems studied indicating that the micellization process was spontaneous. Finally, the stability of micellization was studied by estimating the intrinsic enthalpy gain (ΔHmo,∗) and compensation temperature (Tc). Here, CPC + CTS mixed system showed more stability in Na2SO4 medium than the NaCl, while in NaBenz exhibited the lowest stability.

Identifying bioactive phytoconstituents as C-terminal Src kinase inhibitors: a virtual screening and molecular simulation approach.

Tyrosine-protein kinase CSK otherwise known as C-terminal Src kinase (CSK), is involved in multiple pathways and processes, including regulating cell growth, differentiation, migration, and immune responses. Altered expression of CSK has been associated with various complexities, including cancer, CD45 deficiency, Osteopetrosis and lupus erythematosus. Important auxiliary roles of CSK in cancer progression make it a crucial target in developing novel anticancer therapy. Thus, CSK inhibitors are of concern as potent immuno-oncology agents. In this perspective, phytochemicals can be a significant source for unraveling novel CSK inhibitors. In this study, we carried out a systematic structure-based virtual screening of bioactive phytoconstituents against CSK to identify its potential inhibitors. After a multi-step screening process, two hits (Shinpterocarpin and Justicidin B) were selected based on their druglike properties and binding affinity towards CSK. The selected hits were further analyzed for their stability and interaction via all-atom molecular dynamics (MD) simulations. The selected hits indicated their potential as selective binding partners of CSK, which can further be used for therapeutic development against CSK-associated malignancies.Communicated by Ramaswamy H. Sarma.

Preparation and characterization of lignin/nano graphene oxide/styrene butadiene rubber composite for automobile tyre application.

Styrene butadiene rubber (SBR), is a synthetic polymer and the most abundantly used in the tire industry, which have good collaborative properties with additives and fillers. In present work, we aim to synthesize SBR composite having the properties of graphene oxide filler and made it to be biodegradable. In composite preparation, we fabricated styrene-butadiene rubber/graphene oxide/lignin composites by adding biodegradable biomolecule of lignin fillers at varying 1-3 wt% quantities amount. Those prepared SBR composites were characterized using advanced analysis techniques, and also their biodegradability was. From microscopy examination results, the morphology of pure SBR composite had been improved after the addition of graphene oxide, while the 1 wt% lignin filled SBR sample revealed well-integrated morphology with crest-and-trough-like feature, showcasing the lignin fibrils could strengthen the molecular interaction between graphene oxide nano sheet and SBR rubber. For 2 wt% lignin filled SBR sample, it exhibited large protuberants due to the aggregation effect of lignin fibrils. However, bulky and bundle structure of protuberant was more significantly formed in 3 wt% lignin filled SBR, as a result of poor interface between lignin and SBR rubber. The porosity had also been improved for 1 wt% lignin filled SBR sample, imparting it with great surface area to act as tire in automobile application. The physico-chemical analysis also detected the trace of graphene oxide and lignin functional groups in the SBR composite. In addition, the thermal analysis revealed those lignin-filled composites had stable heat tolerance behavior, which suitably used in extreme weather condition. Moreover, the 1 wt% lignin filled SBR sample exhibited good characteristics in both mechanical and biodegradable properties. Thus, the composite of 1 wt% lignin filled SBR could be regarded as a promising candidate for green tire application in the future.

Preparation of Styrene-Butadiene Rubber (SBR) Composite Incorporated with Collagen-Functionalized Graphene Oxide for Green Tire Application.

Styrene-butadiene rubber (SBR) is a synthetic polymer primarily used in the tire industry, due to its good collaborative properties with additives and fillers. In the present work, we aim to synthesize an SBR composite reinforced with graphene oxide filler to be made biodegradable. In composite preparation, we fabricated styrene-butadiene rubber/graphene oxide/collagen (SBR/GO/COL) composites by adding a biodegradable biomolecule of elastin collagen fillers at 1.5 wt% and 2.5 wt%. Those prepared SBR/GO/COL composites, along with pure SBR and SBR/GO as control samples, were characterized using advanced analysis techniques, and their biodegradability was also evaluated. From microscopy examination results, the morphology of pure SBR had been improved after the addition of GO for SBR/GO composite by revealing a compact structure with a smoother surface. As for the SBR/GO/1.5COL sample, the 1.5 wt% COL filler was found to be effectively embedded in the SBR/GO matrix. However, the 2.5 wt% COL amount led to the formation of an aggregated structure in the SBR/GO/2.5COL sample due to the unreacted interface between COL filler and SBR/GO. The porosity had also been improved for SBR/GO/1.5COL sample, imparting it with a surface area suitable for tires in the automobile industry. From elemental analysis, the presence of nitrogen was detected for the collagen-filled SBR composite, proving the successful incorporation of collagen fibrils. The physicochemical analysis also detected a trace of graphene oxide and collagen functional groups in the SBR composite. In addition, the thermal analysis revealed those collagen-filled composites had stable heat tolerance behavior, which is suitably used in extreme weather conditions. Moreover, the SBR/GO/1.5COL sample exhibited good characteristics in both mechanical and biodegradable properties. Thus, the product of SBR/GO/1.5COL could be regarded as a promising composite for green tires in the auto industry in the future.

Sensitive Non-Enzymatic Glucose Electrochemical Sensor Based on Electrochemically Synthesized PANI/Bimetallic Oxide Composite.

The development of a sensitive glucose monitoring system is highly important to protect human lives as high blood-glucose level-related diseases continue to rise globally. In this study, a glucose sensor based on polyaniline-bimetallic oxide (PANI-MnBaO2) was reported. PANI-MnBaO2 was electrochemically synthesized on the glassy carbon electrode (GCE) surface. The as-prepared PANI-MnBaO2 was characterized by field emission scanning electron microscopy, Fourier transform infrared spectroscopy, energy dispersive X-ray spectroscopy, cyclic voltammetry, and electrochemical impedance spectroscopy. Glucose sensing on PANI-MnBaO2 is based on the electrocatalytic oxidation of glucose to the glucolactone, which gives oxidation current. The oxidation potential for glucose was 0.83 V, with a limit of detection of 0.06 µM in the linear and in the concentration range of 0.05 µM-1.6 mM. The generated current densities displayed excellent stability in terms of repeatability and reproducibility with fast response. The development of a sensitive glucose sensor as obtained in the current study would ensure human health safety and protection through timely and accurate glucose detection and monitoring.

Extraction of Microcrystalline Cellulose from Washingtonia Fibre and Its Characterization.

Washingtonia is a desert plant with great sustainability and renewability in nature and is abundantly cultivated across global urban regions. Its fibre biomass comprises cellulose as the major structural part, and this is why it can be potentially utilized as an alternative biomaterial for manufacturing microcrystalline cellulose (MCC) products that can be widely applied in industrial fields. In the present study, NaOH-treated Washingtonia fibre (WAKL), NaClO2-treated Washingtonia fibre (WBLH), and Washingtonia microcrystalline cellulose (WMCC) were extracted through combined treatments of alkalization, bleaching, and acidic hydrolysis, respectively. The obtained chemically treated fibre samples were subjected to characterization to investigate their morphology, physico-chemistry, and thermal stability. In a morphological examination, the large bunch WAKL fibre reduced into small size WMCC fibrils, evidencing that the lignin and hemicellulose components were greatly eliminated through chemical dissolution. The elemental composition revealed that almost all impurities of anions and cations had been removed, particularly for the WMCC sample, showing its high purity of cellulose content. Additionally, the WMCC sample could attain at 25% yield, giving it the advantage for feasible economic production. Furthermore, the physicochemical analysis, Fourier Transform Infrared-ray (FTIR), indicated the presence of a crystalline cellulose region within the WMCC structure, which had promoted it with high crystallinity of 72.6% as examined by X-ray diffraction (XRD). As for thermal analysis, WMCC showed greater thermal stability comparing to WAKL and WBLC samples at high temperature. Therefore, Washingtonia fibre can be a reliable biosubstituent to replace other plant material for MCC production in the future.

Investigation of Solution Behavior of Antidepressant Imipramine Hydrochloride Drug and Non-Ionic Surfactant Mixture: Experimental and Theoretical Study.

In this paper, the interaction of imipramine hydrochloride (IMP, antidepressant drug) and a non-ionic surfactant Triton X-100 (TX-100) mixture in five different ratios through the tensiometric method in different solvents (aqueous/0.050 mol·kg-1 aqueous NaCl/0.250 mol·kg-1 aqueous urea (U)) were examined thoroughly at a temperature of 298 K. UV-Visible studies in an aqueous system of IMP + TX-100 mixtures were also investigated and discussed in detail. The pure (IMP and TX-100) along with the mixtures' critical micelle concentration (cmc) were assessed by a tensiometric technique. The obtained deviation of the mixtures' cmc values from their ideal values revealed the nonideal behavior of IMP + TX-100 mixtures amongst IMP and TX-100. Compared to aqueous systems, in the presence of aqueous NaCl, several changes in micelles/mixed micelles occurred, and hence a synergism/attractive interaction amongst components was found increased while in the existence of U, the synergism/attractive interaction between them decreased. The evaluated interaction parameter (ßRb) value of mixed micelles showed the attractive or synergism between the IMP and TX-100. Various evaluated thermodynamic parameters in an aqueous system showed that the mixed micellization of the IMP + TX-100 mixture was an entropically spontaneous phenomenon, although the existence of salt in all studied systems can somewhat increase the spontaneity of the micellization process and in the aqueous U system, the spontaneity of the micellization process decreased. In an aqueous system, the interaction between IMP and TX-100 was also confirmed by UV-Visible study.