Abstract: The present study reports the synthesis, characterization and application of nano-sized zinc-oxide (ZnO) particles on a cotton fabric surface. The aim of the investigations is to impart the antimicrobial activity on textile cloth. Nanoparticle is synthesized by wet chemical method from zinc sulphate and sodium hydroxide. SEM (scanning electron micrograph) images are taken to demonstrate the surface morphology of nanoparticles. XRD analysis is done to determine the crystal size of the nanoparticle. With the conformation of nanoformation, the cotton woven fabric is treated with ZnO nanoparticle by mechanical thermo-fixation (pad-dry-cure) technique. To increase the wash durability of nano treated fabric, an acrylic binder is used as a fixing agent. The treated fabric shows up to 90% bacterial reduction for S. aureus (Staphylococcus aureus) and 87% for E. coli (Escherichia coli) which is appreciable for bacteria protective clothing.
Abstract: The preservation of historical Italian heritage, at the urban and architectural scale, has to consider restrictions and requirements connected with conservation issues and usability needs, which are often at odds with historical heritage preservation. Recent decades have been marked by the search for increased accessibility not only of public and private buildings, but to the whole historical city, also for people with disability. Moreover, in the last years the concepts of Smart City and Healthy City seek to improve accessibility both in terms of mobility (independent or assisted) and fruition of goods and services, also for historical cities. The principles of Inclusive Design have introduced new criteria for the improvement of public urban space, between current regulations and best practices. Moreover, they have contributed to transforming “special needs” into an opportunity of social innovation. These considerations find a field of research and analysis in the historical city of Venice, which is at the same time a site of UNESCO world heritage, a mass tourism destination bringing in visitors from all over the world and a city inhabited by an aging population. Due to its conformation, Venetian urban fabric is only partially accessible: about four thousand bridges divide thousands of islands, making it almost impossible to move independently. These urban characteristics and difficulties were the base, in the last 20 years, for several researches, experimentations and solutions with the aim of eliminating architectural barriers, in particular for the usability of bridges. The Venetian Municipality with the EBA Office and some external consultants realized several devices (e.g. the “stepped ramp” and the new accessible ramps for the Venice Marathon) that should determine an innovation for the city, passing from the use of mechanical replicable devices to specific architectural projects in order to guarantee autonomy in use. This paper intends to present the state-of-the-art in bridges accessibility, through an analysis based on Inclusive Design principles and on the current national and regional regulation. The purpose is to evaluate some possible strategies that could improve performances, between limits and possibilities of interventions. The aim of the research is to lay the foundations for the development of a strategic program for the City of Venice that could successfully bring together both conservation and improvement requirements.
Abstract: Harmalol administration caused remarkable reduction in proliferation of HepG2 cells with GI50 of 14.2 mM, without showing much cytotoxicity in embryonic liver cell line, WRL-68. Data from circular dichroism and differential scanning calorimetric analysis of harmalol-CT DNA complex shows conformational changes with prominent CD perturbation and stabilization of CT DNA by 8 oC. Binding constant and stoichiometry was also calculated using the above biophysical techniques. Further, dose dependent apoptotic induction ability of harmalol was studied in HepG2 cells using different biochemical assays. Generation of ROS, DNA damage, changes in cellular external and ultramorphology, alteration of membrane, formation of comet tail, decreased mitochondrial membrane potential and a significant increase in Sub Go/G1 population made the cancer cell, HepG2, prone to apoptosis. Up regulation of p53 and caspase 3 further indicated the apoptotic role of harmalol.
Abstract: This study presents a conformational model of the helical structures of globular protein particularly ferritin in the framework of white noise path integral formulation by using Associated Legendre functions, Bessel and convolution of Bessel and trigonometric functions as modulating functions. The model incorporates chirality features of proteins and their helix-turn-helix sequence structural motif.
Abstract: Goat production is one of the activities included in
integrated farming in the Philippines. Goats are raised for its meat
and regardless of breed the animal is slaughtered for this purpose. In
order to document the carcass yield of different goats slaughtered,
five (5) different breeds of goats to include Purebred Boer and
Anglo-nubian, Crossbred Boer and Anglo-nubian and Philippine
Native goat were used in the study. Data on slaughter parameters,
carcass characteristics, and sensory evaluation were gathered and
analyzed using Complete Random Design (CRD) at 5% level of
significance and the results of carcass conformation were assessed
descriptively. Results showed that slaughter data such as
slaughter/live weight, hot and chilled carcass weights, dressing
percentage and percentage drip loss were significantly different
(P>0.05) among breeds. On carcass and meat characteristics, pure
breed and upgraded Boer were found to be moderately muscular
while Native goat was rated as thin muscular. The color of the
carcass also revealed that Purebred and crossbred Boer were
described dark red, while Native goat was noted to be slightly pale.
On sensory evaluation, the results indicated that there was no
significant difference (P>0.05) among breeds evaluated. It is
therefore concluded that purebred goat has heavier carcass, while
both purebred Boer and upgrade are rated slightly muscular. It is
further confirms that regardless of breed, goat will have the same
sensory characteristics. Thus, it is recommended to slaughter heavier
goats to obtain more carcasses with better conformation and quality.
Abstract: The purposes of hydraulic gate are to maintain the
functions of storing and draining water. It bears long-term hydraulic
pressure and earthquake force and is very important for reservoir and
waterpower plant. The high tensile strength of steel plate is used as
constructional material of hydraulic gate. The cracks and rusts,
induced by the defects of material, bad construction and seismic
excitation and under water respectively, thus, the mechanics
phenomena of gate with crack are probing into the cause of stress
concentration, induced high crack increase rate, affect the safety and
usage of hydroelectric power plant. Stress distribution analysis is a
very important and essential surveying technique to analyze
bi-material and singular point problems. The finite difference
infinitely small element method has been demonstrated, suitable for
analyzing the buckling phenomena of welding seam and steel plate
with crack. Especially, this method can easily analyze the singularity
of kink crack. Nevertheless, the construction form and deformation
shape of some gates are three-dimensional system. Therefore, the
three-dimensional Digital Image Correlation (DIC) has been
developed and applied to analyze the strain variation of steel plate with
crack at weld joint. The proposed Digital image correlation (DIC)
technique is an only non-contact method for measuring the variation of
test object. According to rapid development of digital camera, the cost
of this digital image correlation technique has been reduced.
Otherwise, this DIC method provides with the advantages of widely
practical application of indoor test and field test without the restriction
on the size of test object. Thus, the research purpose of this research is
to develop and apply this technique to monitor mechanics crack
variations of weld steel hydraulic gate and its conformation under
action of loading. The imagines can be picked from real time
monitoring process to analyze the strain change of each loading stage.
The proposed 3-Dimensional digital image correlation method,
developed in the study, is applied to analyze the post-buckling
phenomenon and buckling tendency of welded steel plate with crack.
Then, the stress intensity of 3-dimensional analysis of different
materials and enhanced materials in steel plate has been analyzed in
this paper. The test results show that this proposed three-dimensional
DIC method can precisely detect the crack variation of welded steel
plate under different loading stages. Especially, this proposed DIC
method can detect and identify the crack position and the other flaws
of the welded steel plate that the traditional test methods hardly detect
these kind phenomena. Therefore, this proposed three-dimensional
DIC method can apply to observe the mechanics phenomena of
composite materials subjected to loading and operating.
Abstract: Plasmin plays an important role in the human
circulatory system owing to its catalytic ability of fibrinolysis. The
immediate injection of plasmin in patients of strokes has intrigued
many scientists to design vectors that can transport plasmin to the
desired location in human body. Here we predict the structure of
human plasmin and investigate the interaction of plasmin with the
gold-nanoparticle.
Because the crystal structure of plasminogen has been solved, we
deleted N-terminal domain (Pan-apple domain) of plasminogen and
generate a mimic of the active form of this enzyme (plasmin). We
conducted a simulated annealing process on plasmin and discovered a
very large conformation occurs. Kringle domains 1, 4 and 5 had been
observed to leave its original location relative to the main body of the
enzyme and the original doughnut shape of this enzyme has been
transformed to a V-shaped by opening its two arms. This observation
of conformational change is consistent with the experimental results of
neutron scattering and centrifugation.
We subsequently docked the plasmin on the simulated gold surface
to predict their interaction. The V-shaped plasmin could utilize its
Kringle domain and catalytic domain to contact the gold surface.
Our findings not only reveal the flexibility of plasmin structure but
also provide a guide for the design of a plasmin-gold nanoparticle.
Abstract: The study reports about the influence of binding of orthosteric ligands as well as point mutations on the conformational dynamics of β-2-adrenoreceptor. Using molecular dynamics simulation we found that there was a little fraction of active states of the receptor in its apo (ligand free) ensemble corresponded to its constitutive activity. Analysis of MD trajectories indicated that such spontaneous activation of the receptor is accompanied by the motion in intracellular part of its alpha-helices. Thus receptor’s constitutive activity directly results from its conformational dynamics. On the other hand the binding of a full agonist resulted in a significant shift of the initial equilibrium towards its active state. Finally, the binding of the inverse agonist stabilized the receptor in its inactive state. It is likely that the binding of inverse agonists might be a universal way of constitutive activity inhibition in vivo. Our results indicate that ligand binding redistribute pre-existing conformational degrees of freedom (in accordance to the Monod-Wyman-Changeux-Model) of the receptor rather than cause induced fit in it. Therefore, the ensemble of biologically relevant receptor conformations is encoded in its spatial structure, and individual conformations from that ensemble might be used by the cell in conformity with the physiological behavior.
Abstract: This investigation presents the formulation of kerf (width of slit) and optimal control parameter settings of wire electrochemical discharge machining which results minimum possible kerf while machining Al7075/SiCp MMCs. WEDM is proved its efficiency and effectiveness to cut the hard ceramic reinforced MMCs within the permissible budget. Among the distinct performance measures of WEDM process, kerf is an important performance characteristic which determines the dimensional accuracy of the machined component while producing high precision components. The lack of available of the machinability information such advanced MMCs result the more experimentation in the manufacturing industries. Therefore, extensive experimental investigations are essential to provide the database of effect of various control parameters on the kerf while machining such advanced MMCs in WEDM. Literature reviled the significance some of the electrical parameters which are prominent on kerf for machining distinct conventional materials. However, the significance of reinforced particulate size and volume fraction on kerf is highlighted in this work while machining MMCs along with the machining parameters of pulse-on time, pulse-off time and wire tension. Usually, the dimensional tolerances of machined components are decided at the design stage and a machinist pay attention to produce the required dimensional tolerances by setting appropriate machining control variables. However, it is highly difficult to determine the optimal machining settings for such advanced materials on the shop floor. Therefore, in the view of precision of cut, kerf (cutting width) is considered as the measure of performance for the model. It was found from the literature that, the machining conditions of higher fractions of large size SiCp resulting less kerf where as high values of pulse-on time result in a high kerf. A response surface model is used to predict the relative significance of various control variables on kerf. Consequently, a powerful artificial intelligence called genetic algorithms (GA) is used to determine the best combination of the control variable settings. In the next step the conformation test was conducted for the optimal parameter settings and found good agreement between the GA kerf and measured kerf. Hence, it is clearly reveal that the effectiveness and accuracy of the developed model and program to analyze the kerf and to determine its optimal process parameters. The results obtained in this work states that, the resulted optimized parameters are capable of machining the Al7075/SiCp MMCs more efficiently and with better dimensional accuracy.
Abstract: A new approach to predict the 3D structures of proteins by combining the knowledge-based method and Molecular Dynamics Simulation is presented on the chicken villin headpiece subdomain (HP-36). Comparative modeling is employed as the knowledge-based method to predict the core region (Ala9-Asn28) of the protein while the remaining residues are built as extended regions (Met1-Lys8; Leu29-Phe36) which then further refined using Molecular Dynamics Simulation for 120 ns. Since the core region is built based on a high sequence identity to the template (65%) resulting in RMSD of 1.39 Å from the native, it is believed that this well-developed core region can act as a 'nucleation center' for subsequent rapid downhill folding. Results also demonstrate that the formation of the non-native contact which tends to hamper folding rate can be avoided. The best 3D model that exhibits most of the native characteristics is identified using clustering method which then further ranked based on the conformational free energies. It is found that the backbone RMSD of the best model compared to the NMR-MDavg is 1.01 Å and 3.53 Å, for the core region and the complete protein, respectively. In addition to this, the conformational free energy of the best model is lower by 5.85 kcal/mol as compared to the NMR-MDavg. This structure prediction protocol is shown to be effective in predicting the 3D structure of small globular protein with a considerable accuracy in much shorter time compared to the conventional Molecular Dynamics simulation alone.
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: Adenylate kinase (AK) catalyse the phosphotransferase
reaction plays an important role in cellular energy homeostasis. The
inhibitors of bacterial AK are useful in the treatment of several
bacterial infections. To the novel inhibitors of AK, docking studies
performed by using the 3D structure of Bacillus stearothermophilus
adenylate kinase from protein data bank (IZIP). 46 Quinoxaline
analogues were docked in 1ZIP and selected the highly interacting
compounds based on their binding energies, for further studies
Abstract: The objective this study was to characterize and
develop anthropomorphic liver phantoms in tomography hepatic
procedures for quality control and improvement professionals in
nuclear medicine. For the conformation of the anthropomorphic
phantom was used in plaster and acrylic. We constructed three
phantoms representing processes with liver cirrhosis. The phantoms
were filled with 99mTc diluted with water to obtain the scintigraphic
images. Tomography images were analyzed anterior and posterior
phantom representing a body with a greater degree cirrhotic. It was
noted that the phantoms allow the acquisition of images similar to
real liver with cirrhosis. Simulations of hemangiomas may contribute
to continued professional education of nuclear medicine, on the
question of image acquisition, allowing of the study parameters such
of the matrix, energy window and count statistics.
Abstract: In this paper, four carbazole-based D-D-π-A organic
dyes code as CCT2A, CCT3A, CCT1PA and CCT2PA were reported.
A series of these organic dyes containing identical donor and
acceptor group but different π-system. The effect of replacing of
thiophene by phenyl thiophene as π-system on the physical
properties has been focused. The structural, energetic properties and
absorption spectra were theoretically investigated by means of
Density Functional Theory (DFT) and Time-Dependent Density
Functional Theory (TD-DFT). The results show that nonplanar
conformation due to steric hindrance in donor part (cabazolecarbazole
unit) of dye molecule can prevent unfavorable dye
aggregation. By means of the TD-DFT method, the absorption
spectra were calculated by B3LYP and BHandHLYP to study the
affect of hybrid functional on the excitation energy (Eg). The results
revealed the increasing of thiophene units not only resulted in
decreasing of Eg, but also found the shifting of absorption spectra to
higher wavelength. TD-DFT/BHandHLYP calculated results are
more strongly agreed with the experimental data than B3LYP
functions. Furthermore, the adsorptions of CCT2A and CCT3A on the
TiO2 anatase (101) surface were carried out by mean of the chemical
periodic calculation. The result exhibit the strong adsorption energy.
The calculated results provide our new organic dyes can be
effectively used as dye for Dye Sensitized Solar Cell (DSC).
Abstract: Hypertension is characterized with stress on the heart and blood vessels thus increasing the risk of heart attack and renal diseases. The Renin angiotensin system (RAS) plays a major role in blood pressure control. Renin is the enzyme that controls the RAS at the rate-limiting step. Our aim is to develop new drug-like leads which can inhibit renin and thereby emerge as therapeutics for hypertension. To achieve this, molecular dynamics (MD) simulation and receptor-based pharmacophore modeling were implemented, and three rennin-inhibitor complex structures were selected based on IC50 value and scaffolds of inhibitors. Three pharmacophore models were generated considering conformations induced by inhibitor. The compounds mapped to these models were selected and subjected to drug-like screening. The identified hits were docked into the active site of renin. Finally, hit1 satisfying the binding mode and interaction energy was selected as possible lead candidate to be used in novel renin inhibitors.
Abstract: The present work analyses different parameters of pressure die casting to minimize the casting defects. Pressure diecasting is usually applied for casting of aluminium alloys. Good surface finish with required tolerances and dimensional accuracy can be achieved by optimization of controllable process parameters such as solidification time, molten temperature, filling time, injection pressure and plunger velocity. Moreover, by selection of optimum process parameters the pressure die casting defects such as porosity, insufficient spread of molten material, flash etc. are also minimized. Therefore, a pressure die casting component, carburetor housing of aluminium alloy (Al2Si2O5) has been considered. The effects of selected process parameters on casting defects and subsequent setting of parameters with the levels have been accomplished by Taguchi-s parameter design approach. The experiments have been performed as per the combination of levels of different process parameters suggested by L18 orthogonal array. Analyses of variance have been performed for mean and signal-to-noise ratio to estimate the percent contribution of different process parameters. Confidence interval has also been estimated for 95% consistency level and three conformational experiments have been performed to validate the optimum level of different parameters. Overall 2.352% reduction in defects has been observed with the help of suggested optimum process parameters.
Abstract: A multiple-option analytical model for the evaluation of the energy performance and distribution of aerodynamic forces acting on a vertical-axis Darrieus wind turbine depending on both rotor architecture and operating conditions is presented. For this purpose, a numerical algorithm, capable of generating the desired rotor conformation depending on design geometric parameters, is coupled to a Single/Double-Disk Multiple-Streamtube Blade Element – Momentum code. Both single and double-disk configurations are analyzed and model predictions are compared to literature experimental data in order to test the capability of the code for predicting rotor performance. Effective airfoil characteristics based on local blade Reynolds number are obtained through interpolation of literature low-Reynolds airfoil databases. Some corrections are introduced inside the original model with the aim of simulating also the effects of blade dynamic stall, rotor streamtube expansion and blade finite aspect ratio, for which a new empirical relationship to better fit the experimental data is proposed. In order to predict also open field rotor operation, a freestream wind shear profile is implemented, reproducing the effect of atmospheric boundary layer.
Abstract: Aurein 1.2 is a 13-residue amphipathic peptide with antibacterial and anticancer activity. Aurein1.2 and its retro analog were synthesized to study the activity of the peptides in relation to their structure. The antibacterial test result showed the retro-analog is inactive. The secondary structural analysis by CD spectra indicated that both of the peptides at TFE/Water adopt alpha-helical conformation. MD simulation was performed on aurein 1.2 and retro-analog in water and TFE in order to analyse the factors that are involved in the activity difference between retro and the native peptide. The simulation results are discussed and validated in the light of experimental data from the CD experiment. Both of the peptides showed a relatively similar pattern for their hydrophobicity, hydrophilicity, solvent accessible surfaces, and solvent accessible hydrophobic surfaces. However, they showed different in directions of dipole moment of peptides. Also, Our results further indicate that the reversion of the amino acid sequence affects flexibility .The data also showed that factors causing structural rigidity may decrease the activity. Consequently, our finding suggests that in the case of sequence-reversed peptide strategy, one has to pay attention to the role of amino acid sequence order in making flexibility and role of dipole moment direction in peptide activity. KeywordsAntimicrobial peptides, retro, molecular dynamic, circular dichroism.
Abstract: In this study, a synthetic pathway was created by
assembling genes from Clostridium butyricum and Escherichia coli
in different combinations. Among the genes were dhaB1 and dhaB2
from C. butyricum VPI1718 coding for glycerol dehydratase (GDHt)
and its activator (GDHtAc), respectively, involved in the conversion
of glycerol to 3-hydroxypropionaldehyde (3-HPA). The yqhD gene
from E.coli BL21 was also included which codes for an NADPHdependent
1,3-propanediol oxidoreductase isoenzyme (PDORI)
reducing 3-HPA to 1,3-propanediol (1,3-PD). Molecular modeling
analysis indicated that the conformation of fusion protein of YQHD
and DHAB1 was favorable for direct molecular channeling of the
intermediate 3-HPA. According to the simulation results, the yqhD
and dhaB1 gene were assembled in the upstream of dhaB2 to express
a fusion protein, yielding the recombinant strain E. coliBL21
(DE3)//pET22b+::yqhD-dhaB1_dhaB2 (strain BP41Y3). Strain
BP41Y3 gave 10-fold higher 1,3-PD concentration than E. coliBL21
(DE3)//pET22b+::yqhD-dhaB1_dhaB2 (strain BP31Y2) expressing
the recombinant enzymes simultaneously but in a non-fusion mode.
This is the first report using a gene fusion approach to enhance the
biological conversion of glycerol to the value added compound 1,3-
PD.
Abstract: The expression of LFA-1 diverges from the
physiological condition, thus active targeting carrier can provide the
benefits from difference into LFA-1 expression in various conditions.
Here, the selectivity of cIBR-conjugated nanoparticles (cIBR-NPs),
in terms of uptake, was investigated using PBMCs, Mixed PBMCMolt-
3 cells and Molt-3 cells. The expressions of LFA-1 on Molt-3
cells, from flow cytometry and Western blot, possessed the highest
level whereas PBMCs showed the lowest level. The kinetic uptake
profiles of cIBR-NPs were obtained by flow cytometry, which the
degree of cellular uptake presented a similar trend with the level of
LFA-1 indicating the influence of LFA-1 expression on the cellular
uptake of cIBR-NPs. The conformation of LFA-1 had a slight effect
on the cellular uptake of cIBR-NPs. Overall we demonstrated that
cIBR-NPs enhanced cellular uptake and improved the selectivity of
drug carriers to LFA-1 on the leukemia cells, which related with the
order of LFA-1 expression.