Abstract: A new and cost effective RP-HPLC method was
developed and validated for simultaneous analysis of non steroidal
anti inflammatory dugs Diclofenac sodium (DFS), Flurbiprofen
(FLP) and an opioid analgesic Tramadol (TMD) in advanced drug
delivery systems (Liposome and Microcapsules), marketed brands
and human plasma. Isocratic system was employed for the flow of
mobile phase consisting of 10 mM sodium dihydrogen phosphate
buffer and acetonitrile in molar ratio of 67: 33 with adjusted pH of
3.2. The stationary phase was hypersil ODS column (C18, 250×4.6
mm i.d., 5 μm) with controlled temperature of 30 C°. DFS in
liposomes, microcapsules and marketed drug products was
determined in range of 99.76-99.84%. FLP and TMD in
microcapsules and brands formulation were 99.78 - 99.94 % and
99.80 - 99.82 %, respectively. Single step liquid-liquid extraction
procedure using combination of acetonitrile and trichloroacetic acid
(TCA) as protein precipitating agent was employed. The detection
limits (at S/N ratio 3) of quality control solutions and plasma samples
were 10, 20, and 20 ng/ml for DFS, FLP and TMD, respectively.
The Assay was acceptable in linear dynamic range. All other
validation parameters were found in limits of FDA and ICH method
validation guidelines. The proposed method is sensitive, accurate and
precise and could be applicable for routine analysis in
pharmaceutical industry as well as in human plasma samples for
bioequivalence and pharmacokinetics studies.
Abstract: Proton transfer and hydrogen bonding are two aspects
of the chemistry of hydrogen that respectively govern the behaviour
and structure of many molecules, both simple and complex. All the
theoretical enol and keto conformations of 1,3-diphenyl-1,3-
propandion known as dibenzoylmethane (DBM), have been
investigated by means of atoms in molecules (AIM) theory. It was
found that the most stable conformers are those stabilized by
hydrogen bridges.The aim of the present paper is a thorough
conformational analysis of DBM (with special attention on chelated
cis-enol conformers) in order to obtain detailed information on the
geometrical parameters, relative stabilities and rotational motion of
the phenyl groups. It is also important to estimate the barrier height
for ptoton transfer and hydrogen bond strength, which are the main
factors governing conformational stability.
Abstract: The ability of agricultural and decorative plants to
absorb and detoxify TNT and RDX has been studied. All tested 8
plants, grown hydroponically, were able to absorb these explosives
from water solutions: Alfalfa > Soybean > Chickpea> Chikling vetch
>Ryegrass > Mung bean> China bean > Maize. Differently from
TNT, RDX did not exhibit negative influence on seed germination
and plant growth. Moreover, some plants, exposed to RDX
containing solution were increased in their biomass by 20%. Study of
the fate of absorbed [1-14ðí]-TNT revealed the label distribution in
low and high-molecular mass compounds, both in roots and above
ground parts of plants, prevailing in the later. Content of 14ðí in lowmolecular
compounds in plant roots are much higher than in above
ground parts. On the contrary, high-molecular compounds are more
intensively labeled in aboveground parts of soybean. Most part (up to
70%) of metabolites of TNT, formed either by enzymatic reduction
or oxidation, is found in high molecular insoluble conjugates.
Activation of enzymes, responsible for reduction, oxidation and
conjugation of TNT, such as nitroreductase, peroxidase,
phenoloxidase and glutathione S-transferase has been demonstrated.
Among these enzymes, only nitroreductase was shown to be induced
in alfalfa, exposed to RDX. The increase in malate dehydrogenase
activities in plants, exposed to both explosives, indicates
intensification of Tricarboxylic Acid Cycle, that generates reduced
equivalents of NAD(P)H, necessary for functioning of the
nitroreductase. The hypothetic scheme of TNT metabolism in plants
is proposed.
Abstract: Iron in groundwater is one of the problems that render the water unsuitable for drinking. The concentration above 0.3 mg/L is common in groundwater. The conventional method of removal is by precipitation under oxic condition. In this study, iron removal under anaerobic conditions was examined by batch experiment as a main purpose. The process involved by purging of groundwater samples with H2S to form iron sulfide. Removal up to 83% for 1 mg/L iron solution was achieved. The removal efficiency dropped to 82% and 75% for the higher initial iron concentrations 3.55 and 5.01 mg/L, respectively. The average residual sulfide concentration in water after the process was 25*g/L. The Eh level during the process was -272 mV. The removal process was found to follow the first order reaction with average rate constant of 4.52 x 10-3. The half-life for the concentrations to reduce from initial values was 157 minutes.
Abstract: The hard clam (meretrix lusoria) cultivated industry
has been developed vigorously for recent years in Taiwan, and
seawater quality determines the cultivated environment. The pH
concentration variation affects survival rate of meretrix lusoria
immediately. In order to monitor seawater quality, solid-state sensing
electrode of ruthenium-doped titanium dioxide (TiO2:Ru) is developed
to measure hydrogen ion concentration in different cultivated
solutions. Because the TiO2:Ru sensing electrode has high chemical
stability and superior sensing characteristics, thus it is applied as a pH
sensor. Response voltages of TiO2:Ru sensing electrode are readout by
instrument amplifier in different sample solutions. Mean sensitivity
and linearity of TiO2:Ru sensing electrode are 55.20 mV/pH and 0.999
from pH1 to pH13, respectively. We expect that the TiO2:Ru sensing
electrode can be applied to real environment measurement, therefore
we collect two sample solutions by different meretrix lusoria
cultivated ponds in the Yunlin, Taiwan. The two sample solutions are
both measured for 200 seconds after calibration of standard pH buffer
solutions (pH7, pH8 and pH 9). Mean response voltages of sample 1
and sample 2 are -178.758 mV (Standard deviation=0.427 mV) and
-180.206 mV (Standard deviation =0.399 mV), respectively. Response
voltages of the two sample solutions are between pH 8 and pH 9 which
conform to weak alkali range and suitable meretrix lusoria growth. For
long-term monitoring, drift of cultivated solutions (sample 1 and
sample 2) are 1.16 mV/hour and 1.03 mV/hour, respectively.
Abstract: Viral influenza A subtypes H5N1 and pandemic
H1N1 (pH1N1) have worldwide emerged and transmitted. The most
common anti-influenza drug for treatment of both seasonal and
pandemic influenza viruses is oseltamivir that nowadays becomes
resistance to influenza neuraminidase. The novel long-acting drug,
laninamivir, was discovered for treatment of the patients infected
with influenza B and influenza A viruses. In the present study,
laninamivir complexed with wild-type strain of both H5N1 and
pH1N1 viruses were comparatively determined the structures and
drug-target interactions by means of molecular dynamics (MD)
simulations. The results show that the hydrogen bonding interactions
formed between laninamivir and its binding residues are likely
similar for the two systems. Additionally, the presence of
intermolecular interactions from laninamivir to the residues in the
binding pocket is established through their side chains in accordance
with hydrogen bond interactions.
Abstract: Polymer-like organic thin films were deposited on both
aluminum alloy type 6061 and glass substrates at room temperature by
Plasma Enhanced Chemical Vapor Deposition (PECVD) methodusing
benzene and hexamethyldisiloxane (HMDSO) as precursor materials.
The surface and physical properties of plasma-polymerized organic
thin films were investigated at different r.f. powers. The effects of
benzene/argon ratio on the properties of plasma polymerized benzene
films were also investigated. It is found that using benzene alone
results in a non-coherent and non-adherent powdery deposited
material. The chemical structure and surface properties of the asgrown
plasma polymerized thin films were analyzed on glass
substrates with FTIR and contact angle measurements. FTIR spectra
of benzene deposited film indicated that the benzene rings are
preserved when increasing benzene ratio and/or decreasing r.f.
powers. FTIR spectra of HMDSO deposited films indicated an
increase of the hydrogen concentration and a decrease of the oxygen
concentration with the increase of r.f. power. The contact angle (θ) of
the films prepared from benzene was found to increase by about 43%
as benzene ratio increases from 10% to 20%. θ was then found to
decrease to the original value (51°) when the benzene ratio increases
to 100%. The contact angle, θ, for both benzene and HMDSO
deposited films were found to increase with r.f. power. This signifies
that the plasma polymerized organic films have substantially low
surface energy as the r.f power increases. The corrosion resistance of
aluminum alloy substrate both bare and covered with plasma
polymerized thin films was carried out by potentiodynamic
polarization measurements in standard 3.5 wt. % NaCl solution at
room temperature. The results indicate that the benzene and HMDSO
deposited films are suitable for protection of the aluminum substrate
against corrosion. The changes in the processing parameters seem to
have a strong influence on the film protective ability. Surface
roughness of films deposited on aluminum alloy substrate was
investigated using scanning electron microscopy (SEM). The SEM
images indicate that the surface roughness of benzene deposited films
increase with decreasing the benzene ratio. SEM images of benzene
and HMDSO deposited films indicate that the surface roughness
decreases with increasing r.f. power. Studying the above parameters
indicate that the films produced are suitable for specific practical
applications.
Abstract: Owing to extensive use of hydrogen in refining or
petrochemical units, it is essential to manage hydrogen network in
order to make the most efficient utilization of hydrogen. On the other
hand, hydrogen is an important byproduct not properly used through
petrochemical complexes and mostly sent to the fuel system. A few
works have been reported in literature to improve hydrogen network
for petrochemical complexes. In this study a comprehensive analysis
is carried out on petrochemical units using a modified automated
targeting technique which is applied to determine the minimum
hydrogen consumption. Having applied the modified targeting
method in two petrochemical cases, the results showed a significant
reduction in required fresh hydrogen.
Abstract: The objective of this study was to investigate hydrogen production from alcohol wastewater by anaerobic sequencing batch reactor (ASBR) under thermophillic operation. The ASBR unit used in this study had a liquid holding volume of 4 L and was operated at 6 cycles per day. The seed sludge taken from an upflow anaerobic sludge blanket unit treating the same wastewater was boiled at 95 °C for 15 min before being fed to the ASBR unit. The ASBR system was operated at different COD loading rates at a thermophillic temperature (55 °C), and controlled pH of 5.5. When the system was operated under optimum conditions (providing maximum hydrogen production performance) at a feed COD of 60 000 mg/l, and a COD loading rate of 68 kg/m3 d, the produced gas contained 43 % H2 content in the produced gas. Moreover, the hydrogen yield and the specific hydrogen production rate (SHPR) were 130 ml H2/g COD removed and 2100 ml H2/l d, respectively.
Abstract: Many commercial processes are available for the
removal of H2S from gaseous streams. The desulfurization of gas
streams using aqueous ferric sulfate solution as washing liquor is
studied. Apart from sulfur, only H2O is generated in the process, and
consequently, no waste treatment facilities are required. A distinct
advantage of the process is that the reaction of H2S with is so rapid
and complete that there remains no danger of discharging toxic waste
gas. In this study, the reactive absorption of hydrogen sulfide into
aqueous ferric sulfate solution has been studied and design
calculations for equipments have been done and effective operation
parameters on this process considered. Results show that high
temperature and low pressure are suitable for absorption reaction.
Variation of hydrogen sulfide concentration and Fe3+ concentration
with time in absorption reaction shown that the reaction of ferric
sulfate and hydrogen sulfide is first order with respect to the both
reactant. At low Fe2(SO4)3 concentration the absorption rate of H2S
increase with increasing the Fe2(SO4)3 concentration. At higher
concentration a decrease in the absorption rate was found. At higher
concentration of Fe2(SO4)3, the ionic strength and viscosity of
solution increase remarkably resulting in a decrease of solubility,
diffusivity and hence absorption rate.
Abstract: Elementary particles are created in pairs of equal and opposite momentums at a reference frame at the speed of light. The speed of light reference frame is viewed as a point in space as observed by observer at rest. This point in space is the bang location of the big bang theory. The bang in the big bang theory is not more than sustained flow of pairs of positive and negative elementary particles. Electrons and negative charged elementary particles are ejected from this point in space at velocities faster than light, while protons and positively charged particles obtain velocities lower than light. Subsonic masses are found to have real and positive charge, while supersonic masses are found to be negative and imaginary indicating that the two masses are of different entities. The electron-s super-sonic speed, as viewed by rest observer was calculated and found to be less than the speed of light and is little higher than the electron speed in Bohr-s orbit. The newly formed hydrogen gas temperature was found to be in agreement with temperatures found on newly formed stars. Universe expansion was found to be in agreement. Partial mass and charge elementary particles and particles with momentum only were explained in the context of this theoretical approach.
Abstract: The worldwide prevalence of H3N2 influenza virus
and its increasing resistance to the existing drugs necessitates for the
development of an improved/better targeting anti-influenza drug.
H3N2 influenza neuraminidase is one of the two membrane-bound
proteins belonging to group-2 neuraminidases. It acts as key player
involved in viral pathogenicity and hence, is an important target of
anti-influenza drugs. Oseltamivir is one of the potent drugs targeting
this neuraminidase. In the present work, we have taken subtype N2
neuraminidase as the receptor and probable analogs of oseltamivir as
drug molecules to study the protein-drug interaction in anticipation of
finding efficient modified candidate compound. Oseltamivir analogs
were made by modifying the functional groups using Marvin Sketch
software and were docked using Schrodinger-s Glide. Oseltamivir
analog 10 was detected to have significant energy value (16% less
compared to Oseltamivir) and could be the probable lead molecule. It
infers that some of the modified compounds can interact in a novel
manner with increased hydrogen bonding at the active site of
neuraminidase and it might be better than the original drug. Further
work can be carried out such as enzymatic inhibition studies;
synthesis and crystallizing the drug-target complex to analyze the
interactions biologically.
Abstract: In this paper 2D Simulation of catalytic Fixed Bed Reactor in Fischer-Tropsch Synthesis of GTL technology has been performed utilizing computational fluid dynamics (CFD). Synthesis gas (a mixture of carbon monoxide and hydrogen) has been used as feedstock. The reactor was modeled and the model equations were solved employing finite volume method. The model was validated against the experimental data reported in literature. The comparison showed a good agreement between simulation results and the experimental data. In addition, the model was applied to predict the concentration contours of the reactants and products along the length of reactor.
Abstract: Free Hemoglobin promotes the accumulation of
hydroxyl radicals by the heme iron, which can react with endogenous
hydrogen peroxide to produce free radicals which may cause severe
oxidative cell damage. Haptoglobin binds to Hemoglobin strongly
and Haptoglobin-Hemoglobin binding is irreversible. Peroxidase
activity of Haptoglobin(2-2)-Hemoglobin complex was assayed by
following increase of absorption of produced tetraguaiacol as the
second substrate of Haptoglobin-Hemoglobin complex at 470 nm and
42°C by UV-Vis spectrophotometer. The results have shown that
peroxidase activity of Haptoglobin(2-2)-Hemoglobin complex is
modulated via homotropic effect of hydrogen peroxide as allostric
substrate. On the other hand antioxidant property of Haptoglobin(2-
2)-Hemoglobin was increased via heterotropic effect of the two drugs
(especially ampicillin) on peroxidase activity of the complex. Both
drugs also have mild effect on quality of homotropic property of
peroxidase activity of Haptoglobin(2-2)-Hemoglobin complex.
Therefore, in vitro studies show that the two drugs may help Hp-Hb
complex to remove hydrogen peroxide from serum at pathologic
temperature ature (42 C).
Abstract: In this research a mathematical model for direct
oxidization of hydrogen sulfide into elemental sulfur in a fluidized
bed reactor with external circulation was developed. As the catalyst
is deactivated in the fluidized bed, it might be placed in a reduction
tank in order to remove sulfur through heating above its dew point.
The reactor model demonstrated via MATLAB software. It was
shown that variations of H2S conversion as well as; products formed
were reasonable in comparison with corresponding results of a fixed
bed reactor. Through analyzing results of this model, it became
possible to propose the main optimized operating conditions for the
process considered. These conditions included; the temperature range
of 100-130ºC and utilizing the catalyst as much as possible providing
the highest bed density respect to dimensions of bed, economical
aspects that the bed ever remained in fluidized mode. A high active
and stable catalyst under the optimum conditions exhibited 100%
conversion in a fluidized bed reactor.
Abstract: A predictive clustering hybrid regression (pCHR)
approach was developed and evaluated using dataset from H2-
producing sucrose-based bioreactor operated for 15 months. The aim
was to model and predict the H2-production rate using information
available about envirome and metabolome of the bioprocess. Selforganizing
maps (SOM) and Sammon map were used to visualize the
dataset and to identify main metabolic patterns and clusters in
bioprocess data. Three metabolic clusters: acetate coupled with other
metabolites, butyrate only, and transition phases were detected. The
developed pCHR model combines principles of k-means clustering,
kNN classification and regression techniques. The model performed
well in modeling and predicting the H2-production rate with mean
square error values of 0.0014 and 0.0032, respectively.
Abstract: Numerical study of two dimensional supersonic
hydrogen-air mixing layer is performed to investigate the effect of
turbulence and chemical additive on ignition distance. Chemical
reaction is treated using detail kinetics. Advection upstream splitting
method is used to calculate the fluxes and one equation turbulence
model is chosen here to simulate the considered problem. Hydrogen
peroxide is used as an additive and the results show that inflow
turbulence and chemical additive may drastically decrease the
ignition delay in supersonic combustion.
Abstract: The present project was conducted with the
circumferential-fuel-jets inverse diffusion flame (CIDF) burner
burning liquefied petroleum gas (LPG) enriched with 50% of
hydrogen fuel (H2). The range of stable operation of the CIDF burner
in terms of Reynolds number (from laminar to turbulent flow regions),
equivalence ratio and fuel jet velocity of LPG of the 50% H2-LPG
mixed fuel was identified. Experiments were also carried out to
investigate the flame structures of the LPG flame and LPG enriched H2
flame. Experimental results obtained from these two flames were
compared to fully explore the influence of hydrogen addition on flame
stability. Flame heights obtained by burning these two kinds of fuels at
various equivalence ratios were compared and correlated with the
Global Momentum Ratio (GMR).
Abstract: Investigations of the unimolecular decomposition of
vinyl ethyl ether (VEE), vinyl propyl ether (VPE) and vinyl butyl
ether (VBE) have shown that activation of the molecule of a ether
results in formation of a cyclic construction - the transition state (TS),
which may lead to the displacement of the thermodynamic
equilibrium towards the reaction products. The TS is obtained by
applying energy minimization relative to the ground state of an ether
under the program MM2 when taking into account the hydrogen bond
formation between a hydrogen atom of alkyl residue and the extreme
atom of carbon of the vinyl group. The dissociation of TS up to the
products is studied by energy minimization procedure using the
mathematical program Gaussian. The obtained calculation data for
VEE testify that the decomposition of this ether may be conditioned
by hydrogen bond formation for two possible versions: when α- or β-
hydrogen atoms of the ethyl group are bound to carbon atom of the
vinyl group. Applying the same calculation methods to other ethers
(VPE and VBE) it is shown that only in the case of hydrogen bonding
between α-hydrogen atom of the alkyl residue and the extreme atom
of carbon of the vinyl group (αH---C) results in decay of theses
ethers.
Abstract: The tubes in an Ammonia primary reformer furnace
operate close to the limits of materials technology in terms of the
stress induced as a result of very high temperatures, combined with
large differential pressures across the tube wall. Operation at tube
wall temperatures significantly above design can result in a rapid
increase in the number of tube failures, since tube life is very
sensitive to the absolute operating temperature of the tube. Clearly it
is important to measure tube wall temperatures accurately in order to
prevent premature tube failure by overheating.. In the present study,
the catalyst tubes in an Ammonia primary reformer has been modeled
taking into consideration heat, mass and momentum transfer as well
as reformer characteristics.. The investigations concern the effects of
tube characteristics and superficial tube wall temperatures on of the
percentage of heat flux, unconverted methane and production of
Hydrogen for various values of steam to carbon ratios. The results
show the impact of catalyst tubes length and diameters on the
performance of operating parameters in ammonia primary reformers.