Ameliorative Effect of Ocimum forskolei Benth on Diabetic,Apoptotic, and Adipogenic Biomarkers of Diabetic Rats and 3T3-L1 Fibroblasts Assisted by In Silico Approach

Diabetes mellitus (DM) is a complicated condition that is accompanied by a plethora of metabolic symptoms, including disturbed serum glucose and lipid profiles. Several herbs are reputed as traditional medicine to improve DM. The current study was designed to explore the chemical composition and possible ameliorative effects of Ocimum forskolei on blood glucose and lipid profile in high-fat diet/streptozotocin-induced diabetic rats and in 3T3-L1 cell lines as a first report of its bioactivity. Histopathological study of pancreatic and adipose tissues was performed in control and treatment groups, along with quantification of glucose and lipid profiles and the assessment of NF-κB, cleaved caspase-3, BAX, and BCL2 markers in rat pancreatic tissue. Glucose uptake, adipogenic markers, DGAT1, CEBP/α, and PPARγ levels were evaluated in the 3T3-L1 cell line. Hesperidin was isolated from total methanol extract (TME). TME and hesperidin significantly controlled the glucose and lipid profile in DM rats. Glibenclamide was used as a positive control. Histopathological assessment showed that TME and hesperidin averted necrosis and infiltration in pancreatic tissues, and led to a substantial improvement in the cellular structure of adipose tissue. TME and hesperidin distinctly diminished the mRNA and protein expression of NF-κB, cleaved caspase-3, and BAX, and increased BCL2 expression (reflecting its protective and antiapoptotic actions). Interestingly, TME and hesperidin reduced glucose uptake and oxidative lipid accumulation in the 3T3-L1 cell line. TME and hesperidin reduced DGAT1, CEBP/α, and PPARγ mRNA and protein expression in 3T3-L1 cells. Moreover, docking studies supported the results via deep interaction of hesperidin with the tested biomarkers. Taken together, the current study demonstrates Ocimum forskolei and hesperidin as possible candidates for treating diabetes mellitus.     

Impact of composition ratio on the structure and optical properties of (1-x)MnFe2O4/(x)ZnMn2O4 nanocomposite

($1-x$)MnFe$_{2}$O$_{4}$ (MFO)/$x$ZnMn$_{2}$O$_{4}$ (ZMO) ($x=0$, 0.2, 0.5, 0.8, and 1.0) nanocomposite samples were prepared using co-precipitation procedure. The phase percentage, cell parameters, and crystallite size of MFO and ZMO phases in each nanocomposite sample were calculated using Rietveld refinement procedure. The x-ray diffraction (XRD) analysis and Fourier-transform infrared spectroscopy techniques established the variation in the lattice parameters of each phase are due to permutation of all cations among the octahedral and tetrahedral sites of MFO and ZMO. The different oxidation states of different ions in all samples were determined using x-ray photoelectron spectroscopy (XPS) technique. The variation in absorbance of the nanocomposite samples with composition parameter ($x$) is dependent on the wavelength region. The optical bandgap of the nanocomposite samples is decreased as the content of ZMO phase increased. The effect of alloying on the refractive index, extinction coefficient, dielectric constant, optical conductivity, and the nonlinear optical behaviors of all samples were studied in detail. The nanocomposite sample $x=0.5$ disclosed upgraded optical parameters with the highest refractive index, optical conductivity, and PL intensity, which nominate it to be functional in various application fields.     

Structures of oxaliplatin‐oligonucleotide adducts from DNA

Oxaliplatin, [(1R,2R)‐cyclohexane‐1,2‐diamine](ethanedioato‐O,O')platinum(II) shows a great efficiency against colorectal cancer. Although the mode of action of oxaliplatin is not yet understood, it is commonly accepted that binding of oxaliplatin to DNA prevents DNA synthesis and alters protein to DNA binding. In order to elucidate the modified DNA–protein interaction and thus to understand the mechanisms leading to cellular misinterpretation of DNA information and apoptosis, we have identified the preferential binding sites and the dynamics of the oxaliplatin‐DNA intrastrand and interstrand adducts at the oligomer level using high‐performance liquid chromatography/electrospray ionization‐tandem mass spectrometry (HPLC/ESI‐MS/MS) and HPLC/inductively coupled plasma‐MS for quantitative studies. We used a combination of benzonase, alkaline phosphatase and Nuclease S1 for digestion. This digestion procedure allows the study of platinated oligomeric nucleotides and more complex interstrand adducts. The digestion products were mostly chromatographically separated and characterized using HPLC/ESI‐ion trap MS/MS experiments. We could show that the adducts to guanine and adenine are quite dynamic; that is, the ratios are changing for several days. In addition, the resulting adducts provide evidence for the action of the digesting enzymes and indicate that the adduct spectrum at the oligomeric level is different to that at the commonly studies dinucleotide level. Copyright © 2012 John Wiley & Sons, Ltd.     

Methylol‐functional benzoxazines as precursors for high‐performance thermoset polymers: Unique simultaneous addition and condensation polymerization behavior

A new class of high‐performance resins of combined molecular structure of both traditional phenolics and benzoxazines has been developed. The monomers termed as methylol‐functional benzoxazines were synthesized through Mannich condensation reaction of methylol‐functional phenols and aromatic amines, including methylenedianiline (4,4′‐diaminodiphenylmethane) and oxydianiline (4,4′‐diaminodiphenyl ether), in the presence of paraformaldehyde. For comparison, other series of benzoxazine monomers were prepared from phenol, corresponding aromatic amines, and paraformaldehyde. The as‐synthesized monomers are characterized by their high purity as judged from ¹H NMR and Fourier transform infrared spectra. Differential scanning calorimetric thermograms of the novel monomers show two exothermic peaks associated with condensation reaction of methylol groups and ring‐opening polymerization of benzoxazines. The position of methylol group relative to benzoxazine structure plays a significant role in accelerating polymerization. Viscoelastic and thermogravimetric analyses of the crosslinked polymers reveal high T_g (274–343 °C) and excellent thermal stability when compared with the traditional polybenzoxazines. © 2012 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2012     

Hydrothermal synthesis,thermal decomposition and optical properties of Fe2F5(H2O)(Htaz)(taz)(Hdma)

Crystal structure of Fe₂F₅(H₂O)(Htaz)(taz)(Hdma) which crystallizes in the triclinic system space group $\text{P}\overline{1}$ with unit cell parameters a = 8.8392(5) Å, b = 9.1948(5) Å, c = 9.5877(5) Å, α = 82.070(3)°, β = 63.699(3)°, γ = 89.202(3)°, Z = 2, and V = 690.91(7) ų, was synthesized under hydrothermal conditions at 393 K for 72 h, by a mixture of FeF₂/FeF₃, 1,2,4-triazole molecule (Htaz), and hydrofluoric acid solution (HF 4%) in dimethylformamide solvent (DMF). The main feature of this material is the coexistence of two oxidation states for iron atoms (Fe²⁺, Fe³⁺) in the unit cell, which associate by opposite fluorine corners of FeF₅N and FeF₂N₄ octahedra, and/or triazole molecule which originates the 2D produces material. The structure determination, performed from single crystal X-ray diffraction data, lead to the R₁/_WR₂ reliability factors 0.031/0.087. Thermal stability studies (TG/DTG/DTA) show that the decomposition provides in the temperature range 473–773 K and no mass loss was detected before 473 K. Mass spectrometry (MS) has been used. The optical absorption of the solid was measured at the corresponding λ_max using UV–vis diffuse-reflectance spectrum.     

Informational analysis of seismic sequences by applying the Fisher Information Measure and the Shannon entropy: An application to the 2004–2010 seismicity of Aswan area (Egypt)

The interevent-time (IET) and interevent-distance (IED) series of seismic events occurred at Aswan area (Egypt) from 2004 to 2010 were investigated by means of the Fisher Information Measure and the Shannon entropy. The analysis was performed varying the depth and the magnitude thresholds. The results point out to an increase of level of organization and order with the decrease of magnitude threshold and the increase of depth threshold for the IET series, while the IED series are characterized by a level of uncertainty approximately constant with the threshold magnitude. The complexity measure, calculated as the product of the Fisher Information Measure and the Shannon entropy power, presents very similar pattern for both the types of seismic series, indicating an increasing complexity with the decrease of the threshold magnitude and the increase of the threshold depth.     

Coexistence and harvesting control policy in a food chain model with mutual defense of prey

A model is proposed to understand the dynamics in a food chain (one predator‐two prey). Unlike many approaches, we consider mutualism (for defense against predators) between the two groups of prey. We investigate the conditions for coexistence and exclusion. Unlike Elettreby's (2009) results, we show that prey can coexist in the absence of predators (as expected since there is no competition between prey). We also show the existence of Hopf bifurcation and limit cycle in the model, and numerically present bifurcation diagrams in terms of mutualism and harvesting. When the harvest is practiced for profit making, we provide the threshold effort value that determines the profitability of the harvest. We show that there is zero profit when the constant effort is applied. Below (resp. above) , there will always be gain (resp. loss). In the case of gain, we provide the optimal effort and optimal steady states that produce maximum profit and ensure coexistence. Recommendations for resource managers As a result of our investigation, we bring the following to the attention of management:

• 1. In the absence of predators, different groups of prey can coexist if they mutually help each other (no competition among them).
• 2. There is a maximal effort to invest in order to gain profit from the harvest. Above , the investment will result in a loss.
• 3. In the case of profit from harvest, policy makers should recommend the optimal effort to be applied and the optimal stock to harvest. This will guarantee maximum profit while ensuring sustainability of all species.

     

Inclusion complex of N-nitroso,N-(2-chloroethyl), N′, N′-dibenzylsulfamid with β-Cyclodextrin: Fluorescence and molecular modeling

The inclusion complex of N-nitroso, N-(2-chloroethyl), N′, N′-dibenzylsulfamid with β-Cyclodextrin have been investigated using the spectrofluorescence technique ¹H NMR spectroscopy. The stoichiometric ratio of the complex was found to be 1:1 and the stability constant was evaluated using the Benesi-Hildebrand equation. In order to find the most favorable structure, molecular mechanics calculations were employed to study the inclusion of CENS-Dibenz in β-CD in vacuum and in the presence of water as a solvent. The driving forces for complexation are dominated by non-bonded van der Waals host-guest interactions with very little electrostatic contribution in both environments. After this stage of calculation, both the most stable complexes obtained by MM+ were re-optimized using semi-empirical and quantum mechanical calculations. It was found that the PM3 and the hybrid method ONIOM2 calculations predict the same mode of inclusion of the drug molecule in the host cavity. In the most stable conformation (i.e. Complex A), one of the two aromatic cycles is dipped within the relatively less polar cavity of β-cyclodextrin, while the other aromatic cycle as well as the active groupings (alkylating agent and nitroso group) are directed towards the exterior through the narrow rim of β-CD. This orientation is preferred because it is the most energetically favorable structure. Moreover, statistical thermodynamic calculations demonstrate that the formation of the inclusion complex is an enthalpy-driven process. A comparison between the experimental and theoretical values of ΔG⁰ proves that simulation of the complexes without an explicit treatment of the solvent leads to dubious results.     

Complex protein patterns formation via salt-induced self-assembly and droplet evaporation

Complex and elegant protein patterns in rosette, scallop, Chinese arrow and dendrite shapes at macroscopic length scales were prepared using salt-induced molecular self-assembly and droplet evaporation methods. The direct visual observation method using fluorescence microscopy was adopted to characterize the formation of these protein patterns in situ. Further studies from an optical interferometric profiler have shown that both rosette and scalloped protein patterns are hierarchical structures of concentric rings consisting of many prism-like columnar stacks, with each of the stack having thousands of protein molecules. Systematic experimental studies were performed to investigate the influence of salt concentration, protein concentration and evaporation rate on the morphologies of protein patterns. Upon the analysis of the representative fluorescent microscope images some theoretical explanations, based on Deegan’s theory on the “coffee ring” effect and the dynamic self-assembly mechanism, were proposed to illustrate the dynamics for the formation of different protein patterns. Two different evaporation modes have been found: edge-enhanced evaporation for low salt concentration solutions, i.e., the higher evaporation rate exists at the edge of the droplet; center-enhanced evaporation for high salt concentration solutions, in which faster evaporation occurs at the droplet center consisting of a lot of crystallized salts.