Kinetic Analysis of Multi Enzyme Systems: A Case Study of the Closed System of Creatine Kinase, Hexokinase and Glucose 6-Phosphate Dehydrogenase

This paper describes a general methodology to handle closed multi enzyme systems using mixture of symbolic (which depends on the Gröbner Basis technique) and numerical computation methods. The applicability of the proposed method has been examined for the closed three-enzyme system of rabbit heart creatine kinase (EC 2.7.3.2), yeast hexokinase (EC 2.7.1.1) and human erythrocyte glucose 6-phosphate dehydrogenase (EC 1.1.1.49) using experimental data.     

A simple theory of 40 K superconductivity in MgB2: first-principles calculations of Tc, its dependence on boron mass and pressure

We have studied the superconducting properties of MgB₂ from first-principles under isotropic, uniaxial, and biaxial compressions. We find that the in-plane boron phonons near the zone-center are very anharmonic and strongly coupled to the planar B σ bands near the Fermi level. This mode is found to be the key to quantitatively explain the observed high T_c, the total isotope effect and the pressure dependence of T_c. We propose that a stringent test on the hole and phonon based theories of the superconductivity in MgB₂ would be a measurement of the biaxial ab-compression dependence of T_c.     

Biological distribution of iodo-allyl gabapentin and iodo-gabapentin

Gabapentin (GBP) is an anticonvulsant and is widely used in the treatment of epilepsy. In this study, GBP and an allyl derivative of GBP were radioiodinated with ¹³¹I using the iodogen method; then their radiopharmaceutical potential in rats and rabbits was investigated. The radiochemical purity of ¹³¹I-GBP and its derivatives was determined by RTLC. The labeling yield was 95±2%. Biological evaluation was performed in normal rats and rabbits. Labeled compounds were intravenously injected into two rabbits via the ear vein after anesthetizing. The dynamic and static scintigrams were obtained using a gamma camera at different time. Then the labeled compounds were administered intravenously into the rats. The distribution was studied by counting the radioactivity in the removed organs. The results of biodistribution in the rats showed the clearance of ¹³¹I-ALGBP was faster than ¹³¹I-GBP. On the other hand, the uptake of ¹³¹I-ALGBP in the brain was higher than ¹³¹I-GBP at 60 minutes.     

Preparation of novel pyrrol-2-one derivatives via an effective synthesis of new oxazole scaffold

A convenient procedure for the preparation of oxazole and pyrrole derivatives is described. 2-Amino-1,3-oxazol-2-ones 3a,b were first synthesized from the cyclocondensation reactions of cyanamide (2) with 4-ethoxycarbonyl-5-aryl-2,3-furandione 1a,b, and then new pyrrol-2-ones 5 were synthesized from the reaction of the compounds 3 with various aromatic amines 4.     

Antimicrobial activities and absorption properties of disazo dyes containing imidazole and pyrazole moieties

The newly synthesized thirteen disazo dyes containing imidazole and pyrazole cycles (3a-3m) were carried out by diazotization reaction of 5-amino-4-arylazo-3-methyl-1H-pyrazoles (2a-2m) and coupling reaction with 1-methyl imidazole. Structures of synthesized azo dyes were characterized by UV–Vis, FT-IR, ¹H-NMR, elemental analysis and their solvatochromic properties were studied in DMSO, DMF, methanol, acetic acid and chloroform. In addition, the antimicrobial activities of dyes against twelve pathogenic bacteria were examined in detail and all dyes showed antimicrobial activity against different bacterial strains.     

Stacking effects on local structure in RNA: changes in the structure of tandem GA pairs when flanking GC pairs are replaced by isoG-isoC pairs

The Watson-Crick-like isoG-isoC (iGiC) pair, with the amino and carbonyl groups transposed relative to the Watson-Crick GC pair, provides an expanded alphabet for understanding interactions that shape nucleic acid structure. Here, thermodynamic stabilities of tandem GA pairs flanked by iGiC pairs are reported along with the NMR structures of the RNA self-complementary duplexes (GCiGGAiCGCA)2 and (GGiCGAiGCCA)2. A sheared GA pairing forms in (GCiGGAiCGCA)2, and an imino GA pairing forms in (GGiCGAiGCCA)2. The structures contrast with the formation of tandem imino and sheared GA pairs flanked by GC pairs in the RNA self-complementary duplexes (GCGGACGC)2 and (GGCGAGCC)2, respectively. In both iGiC duplexes, Watson-Crick-like hydrogen bonds are formed between iG and iC, and iGiC substitutions result in less favorable loop stability. The results provide benchmarks for testing computations of molecular interactions that shape RNA three-dimensional structure.     

Fabrication of photo‐cross‐linked polyethyleneimine‐based barriers for CO2 capture

In this study, first, polyethyleneimine was acrylated and mixed with polyvinyl alcohol solution to prepare photo‐crosslinked polyethyleneimine (PEI)‐based nanofibers by utilizing ultraviolet and electrospinning technique at the same time. For CO₂ permeability testing, same formulations were prepared by using solvent casting technique and exposed to ultraviolet light to have polyethyleneimine‐based membrane films. The chemical structures of the nanofibers were characterized by Fourier transform infrared spectroscopy. The thermal properties of nanofibers were examined by thermal gravimetric analysis and differential scanning calorimeter. The morphology of nanofibers was investigated by scanning electron microscopy. CO₂ permeabilities of samples were also measured. Copyright © 2015 John Wiley & Sons, Ltd.     

Water Structure Recovery in Chaotropic Anion Recognition: High‐Affinity Binding of Dodecaborate Clusters to γ‐Cyclodextrin

Dodecaborate anions of the type B₁₂X₁₂^2? and B₁₂X₁₁Y^2? (X=H, Cl, Br, I and Y=OH, SH, NH₃⁺, NR₃⁺) form strong (K_a up to 10⁶ L mol^?1, for B₁₂Br₁₂^2?) inclusion complexes with γ‐cyclodextrin (γ‐CD). The micromolar affinities reached are the highest known for this native CD. The complexation exhibits highly negative enthalpies (up to ?25 kcal mol^?1) and entropies (TΔS up to ?18.4 kcal mol^?1, both for B₁₂I₁₂^2?), which position these guests at the bottom end of the well‐known enthalpy‐entropy correlation for CDs. The high driving force can be traced back to a chaotropic effect, according to which chaotropic anions have an intrinsic affinity to hydrophobic cavities in aqueous solution. In line with this argument, salting‐in effects revealed dodecaborates as superchaotropic dianions.     

Higher order approximate periodic solutions for nonlinear oscillators with the Hamiltonian approach

In this work, the Hamiltonian approach is applied to obtain the natural frequency of the Duffing oscillator, the nonlinear oscillator with discontinuity and the quintic nonlinear oscillator. The Hamiltonian approach is then extended to the second and third orders to find more precise results. The accuracy of the results obtained is examined through time histories and error analyses for different values for the initial conditions. Excellent agreement of the approximate frequencies and the exact solution is demonstrated. It is shown that this method is powerful and accurate for solving nonlinear conservative oscillatory systems.