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: A homologous series of aromatic esters, 4-nalkanoyloxybenzylidene-
4--bromoanilines, nABBA,
consisting of two 1,4-disubstituted phenyl cores and a Schiff
base central linkage was synthesized. All the members can be
differed by the number of carbon atoms at terminal
alkanoyloxy chain (CnH2n-1COO-, n = 2, 6, 18). The molecular
structure of nABBA was confirmed with infrared
spectroscopy, nuclear magnetic resonance (NMR)
spectroscopy and electron-ionization mass (EI-MS)
spectrometry. Mesomorphic properties were studied using
differential scanning calorimetry and polarizing optical
microscopy.
Abstract: InGaAsN and GaAsN epitaxial layers with similar
nitrogen compositions in a sample were successfully grown on a
GaAs (001) substrate by solid source molecular beam epitaxy. An
electron cyclotron resonance nitrogen plasma source has been used to
generate atomic nitrogen during the growth of the nitride layers. The
indium composition changed from sample to sample to give
compressive and tensile strained InGaAsN layers. Layer
characteristics have been assessed by high-resolution x-ray
diffraction to determine the relationship between the lattice constant
of the GaAs1-yNy layer and the fraction x of In. The objective was to
determine the In fraction x in an InxGa1-xAs1-yNy epitaxial layer which
exactly cancels the strain present in a GaAs1-yNy epitaxial layer with
the same nitrogen content when grown on a GaAs substrate.
Abstract: Currently, a large number of license activities (Early
Site Permits, Combined Operating License, reactor certifications,
etc.), are pending for review before the United States Nuclear
Regulatory Commission (US NRC). Much of the senior staff at the
NRC is now committed to these review and licensing actions. To
address this additional workload, the NRC has recruited a large
number of new Regulatory Staff for dealing with these and other
regulatory actions such as the US Fleet of Research and Test Reactors
(RTRs). These reactors pose unusual demands on Regulatory Staff
since the US Fleet of RTRs, although few (32 Licensed RTRs as of
2010), they represent a broad range of reactor types, operations, and
research and training aspects that nuclear reactor power plants (such
as the 104 LWRs) do not pose. The NRC must inspect and regulate
all these facilities. This paper addresses selected training topics and
regulatory activities providedNRC Inspectors for RTRs.
Abstract: the effects of refining and alkaline chemicals on potential of recycling bleached chemical pulp of bagasse were investigated in this study. Recycling was done until three times. Handsheet properties such as, apparent density, light scattering coefficient, tear index, burst index, breaking length, and fold number according to TAPPI standard were measured. Water retention value also was used to considering the treatments during recycling. Refining enhanced the strength of recycled pulp by increasing fiber flexibility and swelling ability, whereas by applying chemical treatment didn't observe any improvement. The morphology of recycled fiber was considered with scanning electron microscopy (SEM).
Abstract: Thermodynamics characterization Sesame oil
extraction by Acetone, Hexane and Benzene has been evaluated. The
120 hours experimental Data were described by a simple
mathematical model. According to the simulation results and the
essential criteria, Acetone is superior to other solvents but under
certain conditions where oil extraction takes place Hexane is superior
catalyst.
Abstract: Durian husk (DH), a fruit waste, was studied for its ability to remove Basic blue 3 (BB3) from aqueous solutions. Batch kinetic studies were carried out to study the sorption characteristics under various experimental conditions. The optimum pH for the dye removal occurred in the pH range of 3-10. Sorption was found to be concentration and agitation dependent. The kinetics of dye sorption fitted a pseudo-second order rate expression. Both Langmuir and Freundlich models appeared to provide reasonable fittings for the sorption data of BB3 on durian husk. Maximum sorption capacity calculated from the Langmuir model is 49.50 mg g-1.
Abstract: Photo-crosslinked rice starch-based biodegradable
films were prepared by casting film-solution on leveled trays and
ultra violet (UV) irradiation was applied for 10 minute. The effect of
the content (3%, 6% and 9 wt. %)of photosensitiser (sodium
benzoate) on mechanical properties, water vapor permeability (WVP)
and structural properties of rice starch films were investigated. The
tensile strength increased while elongation at break and water
resistance properties of rice starch films decreased with addition and
increasing content of photosensitiser. The % crystallinity of rice
starch films were decreased when the content of photosensitiser
increased and UV were applied. The results showed that the
carboxylate group band of sodium benzoate was found in the FTIR
spectrum of rice starch films and found that incorporation of 6% of
photosensitiser into the films showed a higher absorption band of
resulted films. This result pointed out the highest interaction between
starch molecules was occurred.
Abstract: In the present study, the oleaginous fungus
Mortierella alpina CBS 754.68 was screened for arachidonic
acidproduction using inexpensive agricultural by-products as
substrate. Four oilcakes were analysed to choose the best substrate
among them. Sunflower oilcake was the most effective substrate for
ARA production followed by soybean, colza and olive oilcakes. In
the next step, seven variables including substrate particle size,
moisture content, time, temperature, yeast extract supply, glucose
supply and glutamate supply were surveyed and effective variables
for ARA production were determined using a Plackett-Burman
screening design. Analysis results showed that time (12 days),
substrate particle size (1-1.4 mm) and temperature (20ºC) were the
most effective variables for the highest level of ARA production
respectively.
Abstract: Extraction of laccase produced by L. polychrous in an
aqueous two-phase system, composed of polyethylene glycol and
phosphate salt at pH 7.0 and 250C was investigated. The effect of
PEG molecular weight, PEG concentration and phosphate
concentration was determined. Laccase preferentially partitioned to
the top phase. Good extraction of laccase to the top phase was
observed with PEG 4000. The optimum system was found in the
system containing 12% w/w PEG 4000 and 16% w/w phosphate salt
with KE of 88.3, purification factor of 3.0-fold and 99.1% yield.
Some properties of the enzyme such as thermal stability, effect of
heavy metal ions and kinetic constants were also presented in this
work. The thermal stability decreased sharply with high temperature
above 60 0C. The enzyme was inhibited by Cd2+, Pb2+, Zn2+ and
Cu2+. The Vmax and Km values of the enzyme were 74.70
μmol/min/ml and 9.066 mM respectively.
Abstract: Polyurethane foams (PUF) has been prepared from
vegetable; soybean based polyols. They were characterized into
flexible and semi rigid polyurethane foam. This work is directed to
production of flexible polyurethane foams by a process involving the
reaction of mixture of 2,4- and 2,6-Toluene di Isocyanate isomers,
with portion of to blends of soy polyols with petroleum polyol in the
presence of other ingredients such as blowing agents, silicone
surfactants and accelerating agents. Additon of chain extender
improves the property then further decreases the properties on further
addition of the same. The objective of this work was to study the
effect of chain extender and role of phosphoric acid catalyst to the
final properties and correlate the morphology image with mechanical
properties of these foams.
Abstract: The ferroelectric behavior of barium strontium
titanate (BST) in thin film form has been investigated in order to
study the possibility of using BST for ferroelectric gate-field effect
transistor (FeFET) for memory devices application. BST thin films
have been fabricated as Al/BST/Pt/SiO2/Si-gate configuration. The
variation of the dielectric constant (ε) and tan δ with frequency have
been studied to ensure the dielectric quality of the material. The
results show that at low frequencies, ε increases as the Ba content
increases, whereas at high frequencies, it shows the opposite
variation, which is attributed to the dipole dynamics. tan δ shows low
values with a peak at the mid-frequency range. The ferroelectric
behavior of the Al/BST/Pt/SiO2/Si has been investigated using C-V
characteristics. The results show that the strength of the ferroelectric
hysteresis loop increases as the Ba content increases; this is attributed
to the grain size and dipole dynamics effect.
Abstract: This paper discusses the development of a qualitative
simulator (abbreviated QRiOM) for predicting the behaviour of
organic chemical reactions. The simulation technique is based on the
qualitative process theory (QPT) ontology. The modelling constructs
of QPT embody notions of causality which can be used to explain the
behaviour of a chemical system. The major theme of this work is
that, in a qualitative simulation environment, students are able to
articulate his/her knowledge through the inspection of explanations
generated by software. The implementation languages are Java and
Prolog. The software produces explanation in various forms that
stresses on the causal theories in the chemical system which can be
effectively used to support learning.
Abstract: The epoxidation of soybean oil at temperature of 600C
was provided the best result in terms of attaching the –OH
functionality. Temperatures below and above 600C it is likely the
attaching reaction did not proceed sufficiently fast. The considerable
yield below 40%, implies the oil is not completely converted, it is not
possible by conventional methods, because the epoxide decomposes
at the temperature required. The objective of this work was the
development of catalyst toward the conversion of epoxide and polyol
with reaction temperature at 50,60, and 700C. The effect of different
type of catalyst were studied, the effect of alcohols with different
molecular configuration was determined which leads to selective
addition of alcohols to the epoxide oils.
Abstract: Scatter behavior of fatigue life in die-cast AM60B
alloy was investigated. For comparison, those in rolled AM60B alloy
and die-cast A365-T5 aluminum alloy were also studied. Scatter
behavior of pore size was also investigated to discuss dominant
factors for fatigue life scatter in die-cast materials. Three-parameter
Weibull function was suitable to explain the scatter behavior of both
fatigue life and pore size. The scatter of fatigue life in die-cast
AM60B alloy was almost comparable to that in die-cast A365-T5
alloy, while it was significantly large compared to that in the rolled
AM60B alloy. Scatter behavior of pore size observed at fracture
nucleation site on the fracture surface was comparable to that
observed on the specimen cross-section and also to that of fatigue
life. Therefore, the dominant factor for large scatter of fatigue life in
die-cast alloys would be the large scatter of pore size. This
speculation was confirmed by the fracture mechanics fatigue life
prediction, where the pore observed at fatigue crack nucleation site
was assumed as the pre-existing crack.
Abstract: In this paper, we present a vertical nanowire thin film transistor with gate-all-around architecture, fabricated using CMOS compatible processes. A novel method of fabricating polysilicon vertical nanowires of diameter as small as 30 nm using wet-etch is presented. Both n-type and p-type vertical poly-silicon nanowire transistors exhibit superior electrical characteristics as compared to planar devices. On a poly-crystalline nanowire of 30 nm diameter, high Ion/Ioff ratio of 106, low drain-induced barrier lowering (DIBL) of 50 mV/V, and low sub-threshold slope SS~100mV/dec are demonstrated for a device with channel length of 100 nm.
Abstract: Geometry optimizations of metal complexes of Salen(bis(Salicylidene)1,2-ethylenediamine) were carried out at HF and DFT methods employing Lanl2DZ basis set. In this work structural, energies, bond lengths and other physical properties between Mn2+,Cu2+ and Ni2+ ions coordinated by salen–type ligands are examined. All calculations were performed using Gaussian 98W program series. To investigate local aromaticities, NICS were calculated at all centers of rings. The higher the band gap indicating a higher global aromaticity. The possible binding energies have been evaluated. We have evaluated Frequencies and Zero-point energy with freq calculation. The NICS(Nucleous Independent Chemical Shift) Results show Ni(II) complexes are antiaromatic and aromaticites of Mn(II) complexes are larger than Cu(II) complexes. The energy Results show Cu(II) complexes are stability than Mn(II) and Ni(II) complexes.
Abstract: The effect of SnO2 surface modification by Ag nanoclusters, synthesized by SILD method, on the operating characteristics of thin film gas sensors was studied and models for the promotional role of Ag additives were discussed. It was found that mentioned above approach can be used for improvement both the sensitivity and the rate of response of the SnO2-based gas sensors to CO and H2. At the same time, the presence of the Ag clusters on the surface of SnO2 depressed the sensor response to ozone.
Abstract: A high performance clarification system has been
discussed for advanced aqueous reprocessing of FBR spent fuel.
Dissolver residue gives the cause of troubles on the plant operation of
reprocessing. In this study, the new clarification system based on the
hybrid of centrifuge and filtration was proposed to get the high
separation ability of the component of whole insoluble sludge. The
clarification tests of simulated solid species were carried out to
evaluate the clarification performance using small-scale test apparatus
of centrifuge and filter unit. The density effect of solid species on the
collection efficiency was mainly evaluated in the centrifugal
clarification test. In the filtration test using ceramic filter with pore
size of 0.2μm, on the other hand, permeability and filtration rate
were evaluated in addition to the filtration efficiency. As results, it was
evaluated that the collection efficiency of solid species on the new
clarification system was estimated as nearly 100%. In conclusion, the
high clarification performance of dissolver liquor can be achieved by
the hybrid of the centrifuge and filtration system.
Abstract: Fructooligosaccharides derived from microbial enzyme especially from fungal sources has been received particular attention due to its beneficial effects as prebiotics and mass production. However, fungal fermentation is always cumbersome due to its broth rheology problem that will eventually affect the production of FOS. This study investigated the efficiency of immobilized cell system using rotating fibrous bed bioreactor (RFBB) in producing fructooligosaccharides (FOS). A comparative picture with respect to conventional stirred tank bioreactor (CSTB) and RFBB has been presented. To demonstrate the effect of agitation intensity and aeration rate, a laboratory-scale bioreactor 2.5 L was operated in three phases (high, medium, low) for 48 hours. Agitation speed has a great influence on P. simplicissimum fermentation for FOS production, where the volumetric FOS productivity using RFBB is increased with almost 4 fold compared to the FOS productivity in CSTB that only 0.319 g/L/h. Rate of FOS production increased up to 1.2 fold when immobilized cells system was employed at aeration rate similar to the freely suspended cells at 2.0 vvm.