PM3 and DFT quantum mechanical calculations were employed to give further
insight into the inhibition efficiency of the newly prepared cefotaxime amic acid
derivative. The calculated physical properties and quantum chemical parameters
correlated to the inhibition efficiency such as EHOMO (highest occupied molecular
orbital energy), ELUMO (lowest unoccupied molecular orbital energy), the energy gap
(ΔE(HOMO-LUMO)), hardness (η), softness (S), dipole moment (μ), electron affinity
(EA), ionization potential (IE) and active site absorption..…etc., all studied and
discussed at equilibrium geometry in the gas phase and at its right symmetry (C1).
Experimentally the newly prepared cefotaxime derivative could be abso

New azo ligand 2-((4-formyl-3-hydroxynaphthalen-2-yl) diazenyl) benzoic acid (H2L) was synthesized from the reaction of 2-aminobenzoic acid and2-hydroxy-1-naphthaldehyde. Monomeric complexes of this ligand, of general formulae [MII(L)(H2O)] with (MII = Mn, Co, Ni, Cu, Zn, Pd, Cd and Hg ) were reported. The compounds were isolated and characterized in solid state by using 1H-NMR, FT-IR, UV–Vis and mass spectral studies, elemental microanalysis, metal content, magnetic moment measurements, molar conductance and chloride containing. These studies revealed tetrahedral geometries for all complexes except PdII complex is Square planar. The study of complexes formation via molar ratio of (M:L) as (1:1). Theoretical treatments of compounds in gas

 The objective of this study is to evaluate plasma levels of total Sialic acid TSA and Lipid –associated Sialic acid LSA as a marker of Rheumatoid Arthritis AR. Plasma Sialic acid is known as a parameter of inflammation. In the present study, in order to explore the potential role of sialic acid in arthritis rheumatoid, plasma sialic acid levels, plasma LSA and total protein in patients with arthritis rheumatoid were measured. A total 40 patients were compared with 40 healthy control subjects. Plasma TSA, LSA and TP level were determined spectrophotometrically in plasma samples. Plasma Sialic acid levels were significantly increased in RA (88.48±14.15 mg/dl, P<0.05) and LSA level were significantly increased in RA (26.3

A   new   complex  of   Cr(UI)   has   been   prepared.  The   kinetics  and eqailibrium study of  the substitution reaction   for  the complex Trans­ KfCr(ox)z(H 0)2].3l--h0 {T I }, with 4-aminoantipyrine {AAP}, bave been per£Qrm d      in  aqueous  media   at  .(pH. = 4.9,   5.6 and 6.0)   (!!?0.4M NaN03).   Activation  pararrieters   for  the  reac(ions are  {Eat= l.89l  kCal

mor 1 ,        l:t=89.29  kCal  mo1"1  &nbsp

In this article, the adsorption of Cu(ll) ion from aqueous solution into polyacrylic acid
(PAA) hydrogel bead has been investigated using a batch method of different
temperature (10-30 °C) and different contact time (1-48 hr) to reach the equilibrium of
adsorption. Initial concentration and adsorption capacity of the adsorbents is presented,
the time required to reach a maximum capacity of bead was about 24hr. The temperature
effect on adsorption was studied and the experimental data have been analyzed using the
Langmuir and freundlich isotherm models. The adEsorption capacity at equilibrium was
found to be 142.68 mg/g; more than 95% of studied cation was removed by the
adsorbent. The process is very efficient es

To follow  up the  response of  acute  lymphoblastic  leukemic

(ALL)   patients   to   chemotherapy   treatment   and  for   prognosis, diagnosis,  the total Sialic acid  (TSA) levels was studied as a tumor marker. The study included 40 patients (male = 22, female =18) with (ALL)   were   tested   for   the   serum   and   leukocytes   homogenate concentrations  of total sialic acid (TSA)  before and after  treatment with    six   different   chemotherapy   protocols.     &n

The corrosion behavior and the influence of the concentration of adenine (AD) on the corrosion of 316L stainless steel in 0.6 mol.dm-3 sodium chloride acid solutions were studied. The research was performed in two pH values (pH=2 and pH=4) over the temperature range (293- 308)K. The investigation involved electrochemical polarization method using potentiostatic technique. Tafel polarization study revealed that (AD) acted as a mixed inhibitor. The inhibition efficiency increased with an increase in the concentration of adenine, but decreased with increase in temperature. (efficiency= 87% at 0.01 M AD & at T= 293K). The adsorption of (AD) has been found to occur on the surface of 316L stainless steel according to the Langmuir isotherm.

Simple, economic and sensitive mathematical spectrophotometric methods were developed for the estimation 4-aminoantipyrine in presence of its acidic product. The estimation of binary mixture 4-aminoantipyrine and its acidic product was achieved by first derivative and second derivative spectrophotometric methods by applying zero-crossing at (valley 255.9nm and 234.5nm) for 4-aminoantipyrine and (peak 243.3 nm and 227.3nm) for acidic product. The value of coefficient of determination for the liner graphs were not less than 0.996 and the recovery percentage were found to be in the range from 96.555 to 102.160. Normal ratio spectrophotometric method 0DD was used 50 mg/l acidic product as a divisor and then measured at 299.9 nm with correlat