Abstract: We have developed an energy based approach for identifying the binding sites and important residues for binding in protein-protein complexes. We found that the residues and residuepairs with charged and aromatic side chains are important for binding. These residues influence to form cation-¤Ç, electrostatic and aromatic interactions. Our observation has been verified with the experimental binding specificity of protein-protein complexes and found good agreement with experiments. The analysis on surrounding hydrophobicity reveals that the binding residues are less hydrophobic than non-binding sites, which suggests that the hydrophobic core are important for folding and stability whereas the surface seeking residues play a critical role in binding. Further, the propensity of residues in the binding sites of receptors and ligands, number of medium and long-range contacts, and influence of neighboring residues will be discussed.
Abstract: The traditional method for essential oil extraction from agarwood (Aquilaria Crassna) is to soak it in water and follow with hydrodistillation. The effect of various agarwood pretreatments: ethanol, acid, alkaline, enzymes, and ultrasound, and the effect of subcritical water extraction(SWE) was studied to compare with the traditional method. The major compositions of agarwood oil from hydrodistillation were aroma compounds as follow: aristol-9-en-8- one (21.53%), selina-3, 7(11)-diene (12.96%), τ-himachalene (9.28%), β-guaiene (5.79%), hexadecanoic acid (4.90%) and guaia- 3,9-diene (4.21%). Whereas agarwood oil from pretreatments with ethanol and ultrasound, and SWE got fatty acid compounds. Extraction of agarwood oil using these pretreatments could improve the agarwood oil yields up to 2 times that of the traditional method. The components of the pretreated sample with diluted acid (H2SO4) at pH 4 gave quite similar results as the traditional method. Therefore, the enhancement of essential oil from agarwood depends on requirement of type of extracted oil that involved extraction methods.
Abstract: Modeling of a heterogeneous industrial fixed bed
reactor for selective dehydrogenation of heavy paraffin with Pt-Sn-
Al2O3 catalyst has been the subject of current study. By applying
mass balance, momentum balance for appropriate element of reactor
and using pressure drop, rate and deactivation equations, a detailed
model of the reactor has been obtained. Mass balance equations have
been written for five different components. In order to estimate
reactor production by the passage of time, the reactor model which is
a set of partial differential equations, ordinary differential equations
and algebraic equations has been solved numerically.
Paraffins, olefins, dienes, aromatics and hydrogen mole percent as
a function of time and reactor radius have been found by numerical
solution of the model. Results of model have been compared with
industrial reactor data at different operation times. The comparison
successfully confirms validity of proposed model.
Abstract: Team distillation assisted by microwave extraction
(SDAM) considered as accelerated technique extraction is a
combination of microwave heating and steam distillation, performed
at atmospheric pressure. SDAM has been compared with the same
technique coupled with the cryogrinding of seeds (SDAM -CG).
Isolation and concentration of volatile compounds are performed by a
single stage for the extraction of essential oil from Cuminum
cyminum seeds. The essential oils extracted by these two methods for
5 min were quantitatively (yield) and qualitatively (aromatic profile)
no similar. These methods yield an essential oil with higher amounts
of more valuable oxygenated compounds, and allow substantial
savings of costs, in terms of time, energy and plant material. SDAM
and SDAM-CG is a green technology and appears as a good
alternative for the extraction of essential oils from aromatic plants.
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: Five lignin samples were fractionated with
Acetone/Water mixtures and the obtained fractions were subjected to
extensive structural characterization, including Fourier Transform
Infrared (FT-IR), Gel permeation Chromatography (GPC) and
Phosphorus-31 NMR spectroscopy (31P-NMR). The results showed
that for all studied lignins the solubility increases with the increment
of the acetone concentration. Wheat straw lignin has the highest
solubility in 90/10 (v/v) Acetone/Water mixture, 400 mg lignin being
dissolved in 1 mL mixture. The weight average molecular weight of
the obtained fractions increased with the increment of acetone
concentration and thus with solubility. 31P-NMR analysis based on
lignin modification by reactive phospholane into phosphitylated
compounds was used to differentiate and quantify the different types
of OH groups (aromatic, aliphatic, and carboxylic) found in the
fractions obtained with 70/30 (v/v) Acetone/Water mixture.
Abstract: According to FDA (Food and Drug Administration of the United States), vinegar is definedas a sour liquid containing at least 4 grams acetic acid in 100 cubic centimeter (4% solution of acetic acid) of solution that is produced from sugary materials by alcoholic fermentation. In the base of microbial starters, vinegars could be contained of more than 50 types of volatile and aromatic substances that responsible for their sweet taste and smelling. Recently the vinegar industry has a great proportion in agriculture, food and microbial biotechnology. The acetic acid bacteria are from the family Acetobacteraceae. Regarding to the latest version of Bergy-s Mannual of Systematic Bacteriology that has categorized bacteria in the base of their 16s RNA differences, the most important acetic acid genera are included Acetobacter (genus I), Gluconacetobacter (genus VIII) and Gluconobacter (genus IX). The genus Acetobacter that is primarily used in vinegar manufacturing plants is a gram negative, obligate aerobe coccus or rod shaped bacterium with the size 0.6 - 0.8 X 1.0 - 4.0 μm, nonmotile or motile with peritrichous flagella and catalase positive – oxidase negative biochemically. Some strains are overoxidizer that could convert acetic acid to carbon dioxide and water.In this research one Acetobacter native strain with high acetic acid productivity was isolated from Iranian white – red cherry. We used two specific culture media include Carr medium [yeast extract, 3%; ethanol, 2% (v/v); bromocresol green, 0.002%; agar, 2% and distilled water, 1000 ml], Frateur medium [yeast extract, 10 g/l; CaCO3, 20 g/l; ethanol, 20 g/l; agar, 20 g/l and distilled water, 1000 ml] and an industrial culture medium. In addition to high acetic acid production and high growth rate, this strain had a good tolerance against ethanol concentration that was examined using modified Carr media with 5%, 7% and 9% ethanol concentrations. While the industrial strains of acetic acid bacteria grow in the thermal range of 28 – 30 °C, this strain was adapted for growth in 34 – 36 °C after 96 hours incubation period. These dramatic characteristics suggest a potential biotechnological strain in production of cherry vinegar with a sweet smell and different nutritional properties in comparison to recent vinegar types. The lack of growth after 24, 48 and 72 hours incubation at 34 – 36 °C and the growth after 96 hours indicates a good and fast thermal flexibility of this strain as a significant characteristic of biotechnological and industrial strains.
Abstract: Fermented beverages have high expression in the
market for beverages in general, is increasingly valued in situations
where the characteristic aroma and flavor of the material that gave
rise to them are kept after processing. This study aimed to develop a
distilled beverage from passion fruit, and assess, by sensory tests and
chromatographic profile, the influence of different treatments (FM1-
spirit with pulp addiction and FM2 – spirit with bigger ratio of pulp
in must) in the setting of volatiles in the fruit drink, and performing
chemical characterization taking into account the main parameters of
quality established by the legislation. The chromatograms and the
first sensorial tests had indicated that sample FM1 possess better
characteristics of aroma, as much of how much quantitative the
qualitative point of view. However, it analyzes it sensorial end
(preference test) disclosed the biggest preference of the cloth provers
for sample FM2-2 (note 7.93), being the attributes of decisive color
and flavor in this reply, confirmed for the observed values lowest of
fixed and total acidity in the samples of treatment FM2.
Abstract: In this study, the conversion of n-pentane to aromatics is investigated on HZSM-5 zeolites modified by Ga ion-exchange and silylation using tetraethyl orthosilicate (TEOS) via chemical liquid deposition (CLD). The effect of SiO2/Al2O3 ratios of HZSM-5 was also studied. Parameters in preparing catalysts i.e. TEOS loading and cycles of deposition were varied to obtain the optimal condition for enhancing p-xylene selectivity. The highest p-xylene selectivity 99.7% was achieved when the amount of TEOS was 20 vol.%.The catalysts were characterized by TPD, TPO, XRF, and BET. Results show that the conversion of n-pentane was influenced remarkably by the SiO2/Al2O3 ratios of HZSM-5. The highest p-xylene selectivity 99.7% was achieved when the amount of TEOS was 20 vol.%. And cycles of deposition greatly improves HZSM-5 shape-selectivity.
Abstract: Nigella sativa L. is an aromatic plant belonging to the
family Ranunculaceae. It has been used traditionally, especially in the
middle East and India, for the treatment of asthma, cough, bronchitis,
headache, rheumatism, fever, influenza and eczema. Several
biological activities have been reported in Nigella sativa seeds,
including antioxidant. In this context we tried to estimate the
antioxidant activity of various extracts prepared from Nigella sativa
seeds, methanolic extract (ME), chloroformic extract (CE), hexanic
extract (HE : fixed oil), ethyl acetate extract (EAE) water extract
(WE). The Folin-Ciocalteu assay showed that CE and EAE contained
high level of phenolic compounds 81.31 and 72.43μg GAE/mg of
extract respectively. Similarly, the CE and EAE exhibited the highest
DPPH radical scavenging activity, with IC50 values of 106.56μg/ml
and 121.62μg/ml respectively. In addition, CE and HE showed the
most scavenging activity against superoxide radical generated in the
PMS-NADH-NBT system with respective IC50 values of 361.86
μg/ml and 371.80 μg/ml, which is comparable to the activity of the
standard antioxidant BHT (344.59 μg/ml). Ferrous ion chelating
capacity assay showed that WE, EAE and ME are the most active
with 40.57, 39.70 and 22.02 mg EDTA-E/g of extract. The inhibition
of linoleic acid/ß-carotene coupled oxidation was estimated by ßcarotene
bleaching assay, this showed a highest relative antioxidant
activity with CE and EAE (69.82% of inhibition). The antioxidant
activities of the methanolic extract and the fixed oil are confirmed by
an in vivo assay in mice, the daily oral administration of methanolic
extract (500 and 800 mg/kg/day) and fixed oil (2 and 4 ml/kg/day)
during 21 days, resulted in a significant enhancement of the blood
total antioxidant capacity (measured by KRL test) and the plasmatic
antioxidant capacity towards DPPH radical.
Abstract: The concentrations of aliphatic and polycyclic aromatic hydrocarbons (PAH) were determined in atmospheric aerosol samples collected at a rural site in Hungary (K-puszta, summer 2008), a boreal forest (Hyytiälä,
April 2007) and a polluted rural area in Italy (San Pietro Capofiume, Po Valley, April 2008). A clear distinction between “clean" and “polluted" periods was observed. Concentrations obtained for Hyytiälä are significantly lower than those for the other two sites. Source reconciliation was performed using diagnostic parameters, such as the carbon preference index and ratios between PAH. The presence of an unresolved complex mixture of hydrocarbons, especially for the Finnish and Italian samples, is indicative of petrogenic inputs. In K-puszta, the aliphatic hydrocarbons are dominated by leaf wax n-alkanes. The long range transport of anthropogenic pollution contributed to the Finnish aerosol. Industrial activities and vehicular emissions represent major sources in San Pietro Capofiume. PAH in K-puszta consist of both pyrogenic and petrogenic compounds.
Abstract: Contamination of aromatic compounds in water can
cause severe long-lasting effects not only for biotic organism but also
on human health. Several alternative technologies for remediation of
polluted water have been attempted. One of these is adsorption
process of aromatic compounds by using organic modified clay
mineral. Porous structure of clay is potential properties for molecular
adsorptivity and it can be increased by immobilizing hydrophobic
structure to attract organic compounds. In this work natural
montmorillonite were modified with cetyltrimethylammonium
(CTMA+) and was evaluated for use as adsorbents of aromatic
compounds: benzene, toluene, and 2-chloro phenol in its single and
multicomponent solution by ethanol:water solvent. Preparation of
CTMA-montmorillonite was conducted by simple ion exchange
procedure and characterization was conducted by using x-day
diffraction (XRD), Fourier-transform infra red (FTIR) and gas
sorption analysis. The influence of structural modification of
montmorillonite on its adsorption capacity and adsorption affinity of
organic compound were studied. It was shown that adsorptivity of
montmorillonite was increased by modification associated with
arrangements of CTMA+ in the structure even the specific surface
area of modified montmorillonite was lower than raw
montmorillonite. Adsorption rate indicated that material has affinity
to adsorb compound by following order: benzene> toluene > 2-chloro
phenol. The adsorption isotherms of benzene and toluene showed 1st
order adsorption kinetic indicating a partition phenomenon of
compounds between the aqueous and organophilic CTMAmontmorillonite.
Abstract: In the present work we report a gram negative
bacterial isolate, from soil of a dye industry, with promising
biorefining and bioremediation potential. This isolate (GBS.5) could
utilize carbazole (nitrogen containing polycyclic aromatic
hydrocarbon) as the sole source of nitrogen and carbon and utilize
almost 98% of 3mM carbazole in 100 hours. The specific activity of
our GBS.5 isolate for carbazole degradation at 30°C and pH 7.0 was
found to be 11.36 μmol/min/g dry cell weight as compared to 10.4
μmol/min/g dry cell weight, the highest reported specific activity till
date. The presence of car genes (the genes involved in
denitrogenation of carbazole) was confirmed through PCR
amplification.