Search results for: molecular weight

Authors: Martin Cvek, Miroslav Mrlik, Michal Sedlacik, Tomas Plachy

Abstract:

Magnetorheological elastomers (MREs) are multi-phase composite materials containing micron-sized ferromagnetic particles dispersed in an elastomeric matrix. Their properties such as modulus, damping, magneto-striction, and electrical conductivity can be controlled by an external magnetic field and/or pressure. These features of the MREs are used in the development of damping devices, shock attenuators, artificial muscles, sensors or active elements of electric circuits. However, imperfections on the particle/matrix interfaces result in the lower performance of the MREs when compared with theoretical values. Moreover, magnetic particles are susceptible to corrosion agents such as acid rains or sea humidity. Therefore, the modification of particles is an effective tool for the improvement of MRE performance due to enhanced compatibility between particles and matrix as well as improvements of their thermo-oxidation and chemical stability. In this study, the carbonyl iron (CI) particles were controllably modified with poly(trimethylsilyloxyethyl methacrylate) (PHEMATMS) nano-grafts to develop magnetic core–shell structures exhibiting proper wetting with various elastomeric matrices resulting in improved performance within a frame of rheological, magneto-piezoresistance, pressure-piezoresistance, or radio-absorbing properties. The desired molecular weight of PHEMATMS nano-grafts was precisely tailored using surface-initiated atom transfer radical polymerization (ATRP). The CI particles were firstly functionalized using a 3-aminopropyltriethoxysilane agent, followed by esterification reaction with α-bromoisobutyryl bromide. The ATRP was performed in the anisole medium using ethyl α-bromoisobutyrate as a macroinitiator, N, N´, N´´, N´´-pentamethyldiethylenetriamine as a ligand, and copper bromide as an initiator. To explore the effect PHEMATMS molecular weights on final properties, two variants of core-shell structures with different nano-graft lengths were synthesized, while the reaction kinetics were designed through proper reactant feed ratios and polymerization times. The PHEMATMS nano-grafts were characterized by nuclear magnetic resonance and gel permeation chromatography proving information to their monomer conversions, molecular chain lengths, and low polydispersity indexes (1.28 and 1.35) as the results of the executed ATRP. The successful modifications were confirmed via Fourier transform infrared- and energy-dispersive spectroscopies while expected wavenumber outputs and element presences, respectively, of constituted PHEMATMS nano-grafts, were occurring in the spectra. The surface morphology of bare CI and their PHEMATMS-grafted analogues was further studied by scanning electron microscopy, and the thicknesses of grafted polymeric layers were directly observed by transmission electron microscopy. The contact angles as a measure of particle/matrix compatibility were investigated employing the static sessile drop method. The PHEMATMS nano-grafts enhanced compatibility of hydrophilic CI with low-surface-energy hydrophobic polymer matrix in terms of their wettability and dispersibility in an elastomeric matrix. Thus, the presence of possible defects at the particle/matrix interface is reduced, and higher performance of modified MREs is expected.

Keywords: atom transfer radical polymerization, core-shell, particle modification, wettability

Procedia PDF Downloads 200

Authors: Rizky Kusuma Cahyani

Abstract:

Hepatitis B is a liver inflammatory disease caused by hepatitis B virus (HBV). This infection can be prevented by vaccination which contains HBV surface protein (sHBsAg). However, vaccine supply is limited. Several attempts have been conducted to produce local sHBsAg. However, the purity degree and protein yield are still inadequate. Therefore optimization of HBsAg purification steps is required to obtain high yield with better purification fold. In this study, optimization of purification was done in 2 steps, precipitation using variation of NaCl concentration (0,3 M; 0,5 M; 0,7 M) and PEG (3%, 5%, 7%); ion exchange chromatography (IEC) using NaCl 300-500 mM elution buffer concentration.To determine HBsAg protein, bicinchoninic acid assay (BCA) and enzyme-linked immunosorbent assay (ELISA) was used in this study. Visualization of HBsAg protein was done by SDS-PAGE analysis. Based on quantitative analysis, optimal condition at precipitation step was given 0,3 M NaCl and PEG 3%, while in ion exchange chromatography step, the optimum condition when protein eluted with NaCl 500 mM. Sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) analysis indicates that the presence of protein HBsAg with a molecular weight of 25 kDa (monomer) and 50 kDa (dimer). The optimum condition for purification of sHBsAg produced in Pichia pastoris gave a yield of 47% and purification fold 17x so that it would increase the production of hepatitis B vaccine to be more optimal.

Keywords: hepatitis B virus, HBsAg, hepatitis B surface antigen, Pichia pastoris, purification

Procedia PDF Downloads 151

Authors: Jae Young Song, In-Ohk Ouh, Seyeon Park, Byeong Sul Kang, Soo Dong Cho, In-Soo Cho

Abstract:

Canine parvovirus (CPV) is a major pathogen of diarrhea disease in dogs. CPV type 2 has three of antigenic variants such as 2a, 2b, and 2c. CPV constructs a small non-enveloped, icosahedral capsid that contains single-stranded DNA. It has capsids that two largely overlapping virion proteins (VP), VP1 (82 kDa), and VP2 (65 kDa). Baculoviruses are insect pathogens that regulate insect populations in nature and are being successfully used to control insect pests. The proteins produced in the baculovirus-expression system are used for instance for functional studies, vaccine preparations, or diagnostics. The vaccines produced by baculovirus-expression system showed elicitation of antibodies. The recombinant baculovirus infected SF9 cells showed broken shape. The recombinant VP2 proteins from cell pellet or supernatant were confirmed by western blotting. The result showed that the recombinant VP2 protein bands were appeared at 65 kDa molecular weight in both cell pellet and supernatant of infected SF9 cell. These results indicated that the recombinant baculovirus infected SF9 cell express the recombinant VP2 protein successfully. In addition, the expressed recombinant VP2 protein is secreted from cell to supernatant. The baculovirus expression system can be used to produce the VP2 protein of CPV 2c. In addition, the secretion property of the expression of VP2 protein may decrease the cost of production, because it can be skipped the cell breaking step. The produced VP2 protein could be used for vaccine and the agent of diagnostic tests. This study provides the foundation of the production of CPV 2c vaccine and the diagnostic agent.

Keywords: baculovirus, canine parvovirus 2c, dog, Korea

Procedia PDF Downloads 151

Authors: Gayathri Devi V, Aravamudan Kannan, Amit Sircar

Abstract:

In the inner fuel cycle system of a nuclear fusion reactor, the Hydrogen Isotopes Removal System (HIRS) plays a pivoted role. It enables the effective extraction of the hydrogen isotopes from the breeder purge gas which helps to maintain the tritium breeding ratio and sustain the fusion reaction. One of the components of HIRS, Cryogenic Molecular Sieve Bed (CMSB) columns with zeolites adsorbents are considered for the physisorption of hydrogen isotopes at 1 bar and 77 K. Even though zeolites have good thermal stability and reduced activation properties making them ideal for use in nuclear reactor applications, their modest capacity for hydrogen isotopes adsorption is a cause of concern. In order to enhance the adsorbent capacity in an informed manner, it is helpful to understand the adsorption phenomena at the quantum electronic structure level. Physicochemical modifications of the adsorbent material enhances the adsorption capacity through the incorporation of active sites. This may be accomplished through the incorporation of suitable metal ions in the zeolite framework. In this work, molecular hydrogen isotopes adsorption on the active sites of functionalized zeolites are investigated in detail using Density Functional Theory (DFT) study. This involves the utilization of hybrid Generalized Gradient Approximation (GGA) with dispersion correction to account for the exchange and correlation functional of DFT. The electronic energies, adsorption enthalpy, adsorption free energy, Highest Occupied Molecular Orbital (HOMO), Lowest Unoccupied Molecular Orbital (LUMO) energies are computed on the stable 8T zeolite clusters as well as the periodic structure functionalized with different active sites. The characteristics of the dihydrogen bond with the active metal sites and the isotopic effects are also studied in detail. Validation studies with DFT will also be presented for adsorption of hydrogen on metal ion functionalized zeolites. The ab-inito screening analysis gave insights regarding the mechanism of hydrogen interaction with the zeolites under study and also the effect of the metal ion on adsorption. This detailed study provides guidelines for selection of the appropriate metal ions that may be incorporated in the zeolites framework for effective adsorption of hydrogen isotopes in the HIRS.

Keywords: adsorption enthalpy, functionalized zeolites, hydrogen isotopes, nuclear fusion, physisorption

Procedia PDF Downloads 179

Authors: Dong Won Kim, Hye Ji Kim, Hyun Young Jung

Abstract:

Improved energy storage is inevitably needed to improve energy efficiency and to be environmentally friendly to chemical processes. Ionic liquids (ILs) can play a crucial role in addressing these needs due to inherent adjustable properties including low volatility, low flammability, inherent conductivity, wide liquid range, broad electrochemical window, high thermal stability, and recyclability. Here, binary mixtures of ILs were prepared with fumed silica nanoparticles and characterized to obtain ILs with conductivity and electrochemical properties optimized for use in energy storage devices. The solutes were prepared by varying the size and the weight percent concentration of the nanoparticles and made up 10 % of the binary mixture by weight. We report on the physical and electrochemical properties of the individual ILs and their binary mixtures.

Keywords: ionic liquid, silica nanoparticle, energy storage, electrochemical properties

Procedia PDF Downloads 217

Authors: Pratibha Srivastava, Ayyamperumal Jeyaprakash, Gary Steck

Abstract:

Exotic, invasive tephritid fruit flies (Diptera: Tephritidae) are a major concern to fruit and vegetable production in the USA. Timely detection and identification of these agricultural pests facilitate the possibility of eradication from newly invaded areas. They spread primarily as larvae in infested fruits carried in commerce or personal baggage. Identification of larval stages to species level is difficult but necessary to determine pest loads and their pathways into the USA. The main focus of this study is the New World genus, Anastrepha. Many of its constituent taxa are pests of major economic importance. This study is significant for national quarantine use, as morphological diagnostics to separate larvae of the various members remain poorly developed. Elongation factor 1 alpha sequences were amplified from Anastrepha fraterculus specimens collected from South America (Ecuador and Peru). Phylogenetic analysis was performed to characterize the Anastrepha fraterculus complex at a molecular level.

Keywords: anastrepha, diptera, elongation factor, fruit fly

Procedia PDF Downloads 205

Authors: Mohammad Tayefeh Norooz, Amirhossein Kargarzadeh

Abstract:

Overweight and obesity as an abnormality are health threatening factors. Body mass index (BMI) above 25 is referred to as overweight and above 30 as obese. Apollo Endosurgery, Inc., a pioneering company in endoscopy surgeries, is poised to revolutionize patient care with its minimally invasive treatment options. Some product solutions are designed to improve patient outcomes and redefine the future of healthcare. Weight gain post-weight-loss surgery may stem from an enlarged stomach opening, reducing fullness and increasing food intake. Apollo Endosurgery's OverStitch system, a minimally invasive approach, addresses this by using sutures to reduce stomach opening size. This reflects Apollo's commitment to transformative improvements in healing endoscopy, emphasizing a shift towards minimally invasive options. The system's versatility and precision in full-thickness suturing offer treatment alternatives, exemplified in applications like Endoscopic Sleeve Gastroplasty for reshaping obesity management. Apollo’s dedication to pioneering advancements suggests ongoing breakthroughs in minimally invasive surgery, positioning the OverStitch systems as a testament to innovation in patient care.

Keywords: apollo endosurgery, endoscopic sleeve gastroplasty, weight loss system, overstitch endoscopic suturing system, therapeutic, perforations, fistula

Procedia PDF Downloads 62

Authors: Hussein Abbas Jebur, Yasir Abd Ulrazzaq

Abstract:

This study was carried out at the farm of El-Gemmaiza Agriculture Research Station, El-Garbia Governorate Egypt, to determine the performance characteristics of an agricultural transport. The performance of this transportation was compared between three surfaces (asphalt, dusty and field). The study was concentrated on the rate of drawbar pull, slip ratio, tractive efficiency and specific energy per unit area. The comparison was made under three different surfaces (asphalt, dusty and field), different traveling speeds from (3.38 to 6.55 km/h) and variable weights (0 and 300 kg). The results showed that the highest value of the tractive efficiency 60.20% was obtained at traveling speed 4.00 km/h with weight on the rear wheel on the asphalt surface. The highest value of specific energy 1.93 kW.h/ton during use of ballast on rear tractor wheels at traveling speed 3.38 km/h on the field surface.

Keywords: tractor, energy, transportation, weight, power

Procedia PDF Downloads 288

Authors: Abhishek Kumar Gupta

Abstract:

Atomistic Molecular Dynamics (MD) Simulations have been performed to study the effect of monovalent salt i.e. NaCl concentration (Cs) and chain degree of neutralization (f) on the structure and dynamics of anionic poly(methacrylic acid) (PMA) in dilute aqueous solutions. In the present study, the attention is to unveil the conformational structure, hydrogen-bonding, local polyion-counterion structure, h-bond dynamics, chain dynamics and thermodynamic enthalpy of solvation of a-PMA in dilute aqueous solutions as a function of salt concentration, Cs and f. The results have revealed that at low salt concentration, the conformational radius of gyration (Rg) increases and then decreases reaching a maximum in agreement with the reported light scattering experimental results. The Rg at f = 1 shows a continual decrease and acquire a plateau value at higher salt concentration in agreement with results obtained by light scattering experiments. The radial distribution functions between PMA, salt and water atoms has been computed with respect to atom and centre-of-mass to understand the intermolecular structure in detail. The results pertaining to PMA chain conformations and hydrogen bond autocorrelation function showcasing the h-bond dynamics will be presented. The results pertaining to chain dynamics will be presented. The results pertaining to counterion condensation on the PMA chain shows greater condensation of Na+ ions on to the carboxylate ions with increase in salt concentration. Moreover, the solvation enthalpy of the system as a function of salt concentration will be presented.

Keywords: conformations, molecular dynamics simulations, NaCl concentration, radial distribution functions

Procedia PDF Downloads 115

Authors: Theresa N. Uzor

Abstract:

The word cardiovascular fitness is a topic of much interest to people of Nigeria, especially during this time, some heart diseases run in families. Cardiovascular fitness is the ability of the heart and lungs to supply-rich blood to the working muscle tissues. This type of fitness is a health-related component of physical fitness that is brought about by sustained physical activity such as plyometric training. Plyometric is a form of advanced fitness training that uses fast muscular contractions to improve power and speed in the sports performance by coaches and athletes. Plyometric training involves a rapid stretching of muscle (eccentric phase) immediately followed by a concentric or shortening action of the same muscle and connective tissue. However, the most basic example of true plyometric training is running and can be safe for a wide variety of populations. This paper focused on building cardiovascular health through Plyometric Training. The centre focus of the article is cardiovascular fitness and plyometric training with factors of cardiovascular fitness. Plyometric training at any age provides multiple benefits even beyond weight control and weight loss, decrease the risk of cardiovascular diseases, stroke, high blood pressure, diabetes, and other diseases, among other benefits of plyometric training to cardiovascular fitness. Participation in plyometric training will increase metabolism of an individual, thereby burning more calories even when at rest and reduces weight is also among the benefits of plyometric training. Some guidelines were recommended for planning plyometric training programme to minimise the chance of injury. With plyometric training in Nigeria, fortune can change for good, especially now that there has been an increase in cardiovascular diseases within the society for great savings would be saved.

Keywords: aerobic, cardiovascular, concentric, stretch-shortening cycle, plyometric

Procedia PDF Downloads 139

Authors: C. H. Jeon, Y. H. Kim, G. A. Lee

Abstract:

Reducing resource consumption and carbon dioxide emission are recognized as urgent issues. One way of resolving these issues is to reduce product weight. Magnesium alloys are considered promising candidates because of their lightness. Various studies have been conducted on using magnesium alloy instead of conventional iron or aluminum in mechanical parts, due to the light weight and superior specific strength of magnesium alloy. However, even stronger magnesium alloys are needed for mechanical parts. One common way to enhance the strength of magnesium alloy is by extruding the ingot. In order to enhance the mechanical properties, magnesium alloy ingot were extruded at various extrusion ratios. Relationship between extrusion ratio and mechanical properties was examined on extruded material of magnesium alloy. And Textures and microstructures of the extruded materials were investigated.

Keywords: extrusion, extrusion ratio, magnesium, mechanical property, lightweight material

Procedia PDF Downloads 500

Authors: Abdelrazzag Elmajdoub

Abstract:

The present study was designed to investigate the bio-equivalence of doxycycline in Dolistin® and Colidox® at a dose rate of 10 mg doxycycline/kg of body weight in 48 clinically normal broiler chickens. After oral administration, plasma levels of doxycycline peaked after 2 hours post-dosing without significant differences between the two products and it could be detected therapeutically and exceeded the minimum inhibitory concentration (MIC) for most micro-organisms sensitive to doxycycline for 12 hours. The disposition kinetics of doxycycline in the two products following oral administration revealed that the maximum plasma concentrations (Cmax.) were 22.65 and 21.80 µg/ml and attained at (Tmax.) 2.10 and 2.20 hours, respectively. Doxycycline in both of the products was eliminated with half- lives (t0.5α) equal to 7.70 and 6.93 hours, respectively. The mean systemic bio availabilities of doxycycline in both of the products after oral administration in chickens were 80.60 and 79.70%, respectively. It was concluded that doxycycline in the form of Dolistin® and Colidox® needs a dose equivalent to 20 mg doxycycline/kg of body weight a day is better to keep the plasma concentration higher than the MIC.

Keywords: tetracyclines, doxycycline, bioavailability, broilers, chickens

Procedia PDF Downloads 506

Authors: Jiahui Song

Abstract:

The use of very high electric fields (~ 100kV/cm or higher) with pulse durations in the nanosecond range has been a recent development. The electric pulses have been used as tools to generate electroporation which has many biomedical applications. Most of the studies of electroporation have ignored possible thermal effects because of the small duration of the applied voltage pulses. However, it has been predicted membrane temperature gradients ranging from 0.2×109 to 109 K/m. This research focuses on thermal gradients that drives for electroporative enhancements, even though the actual temperature values might not have changed appreciably from their equilibrium levels. The dynamics of pore formation with the application of an externally applied electric field is studied on the basis of molecular dynamics (MD) simulations using the GROMACS package. Different temperatures are assigned to various regions to simulate the appropriate temperature gradients. The GROMACS provides the force fields for the lipid membranes, which is taken to comprise of dipalmitoyl-phosphatidyl-choline (DPPC) molecules. The water model mimicks the aqueous environment surrounding the membrane. Velocities of water and membrane molecules are generated randomly at each simulation run according to a Maxwellian distribution. For statistical significance, a total of eight MD simulations are carried out with different starting molecular velocities for each simulation. MD simulation shows no pore is formed in a 10-ns snapshot for a DPPC membrane set at a uniform temperature of 295 K after a 0.4 V/nm electric field is applied. A nano-sized pore is clearly seen in a 10-ns snapshot on the same geometry but with the top and bottom membrane surfaces kept at temperatures of 300 and 295 K, respectively. For the same applied electric field, the formation of nanopores is clearly demonstrated, but only in the presence of a temperature gradient. MD simulation results show enhanced electroporative effects arising from thermal gradients. The study suggests the temperature gradient is a secondary driver, with the electric field being the primary cause for electroporation.

Keywords: nanosecond, electroporation, thermal effects, molecular dynamics

Procedia PDF Downloads 82

Authors: W. Srinuttrakul, V. Permnamtip

Abstract:

Toxic elements in rice samples are great concern in Thailand because rice (Oryza sativa) is a staple food for Thai people. Furthermore, rice is an economic crop of Thailand for export. In this study, the concentrations of arsenic (As), cadmium (Cd) and lead (Pb) in rice samples collected from the paddy fields in the northern, northeastern and southern regions of Thailand were determined by inductively coupled plasma mass spectrometry. The mean concentrations of As, Cd and Pb in 55 rice samples were 0.112±0.056, 0.029±0.037 and 0.031±0.033 mg kg^-1, respectively. All rice samples showed As, Cd and Pb lower than the limit data of Codex. The estimated daily intakes (EDIs) of As, Cd, and Pb from rice consumption were 0.026±0.013, 0.007±0.009 and 0.007±0.008 mg day^-1, respectively. The percentage contribution to Provisional Tolerable Weekly Intake (PTWI) values of As, Cd and Pb for Thai male (body weight of 69 kg) was 17.6%, 9.7%, and 2.9%, respectively, and for Thai female (body weight of 57 kg) was 21.3%, 11.7% and 3.5%, respectively. The findings indicated that all studied rice samples are safe for consumption.

Keywords: arsenic, cadmium, ICP-MS, lead, rice

Procedia PDF Downloads 260

Authors: Catherine Vasnetsov, Victor Vasnetsov

Abstract:

Context: Thermo-responsive polymers are materials that undergo significant changes in their physical properties in response to temperature changes. These polymers have gained significant attention in research due to their potential applications in various industries and medicine. However, the molecular mechanisms underlying their behavior are not well understood, particularly in relation to cosolvency, which is crucial for practical applications. Research Aim: This study aimed to theoretically investigate the phenomenon of cosolvency in long-chain polymers using the Flory-Huggins statistical-mechanical framework. The main objective was to understand the interactions between the polymer, solvent, and cosolvent under different conditions. Methodology: The research employed a combination of Monte Carlo computer simulations and advanced machine-learning methods. The Flory-Huggins mean field theory was used as the basis for the simulations. Spinodal graphs and ternary plots were utilized to develop an initial computer model for predicting polymer behavior. Molecular dynamic simulations were conducted to mimic real-life polymer systems. Machine learning techniques were incorporated to enhance the accuracy and reliability of the simulations. Findings: The simulations revealed that the addition of very low or very high volumes of cosolvent molecules resulted in smaller radii of gyration for the polymer, indicating poor miscibility. However, intermediate volume fractions of cosolvent led to higher radii of gyration, suggesting improved miscibility. These findings provide a possible microscopic explanation for the cosolvency phenomenon in polymer systems. Theoretical Importance: This research contributes to a better understanding of the behavior of thermo-responsive polymers and the role of cosolvency. The findings provide insights into the molecular mechanisms underlying cosolvency and offer specific predictions for future experimental investigations. The study also presents a more rigorous analysis of the Flory-Huggins free energy theory in the context of polymer systems. Data Collection and Analysis Procedures: The data for this study was collected through Monte Carlo computer simulations and molecular dynamic simulations. The interactions between the polymer, solvent, and cosolvent were analyzed using the Flory-Huggins mean field theory. Machine learning techniques were employed to enhance the accuracy of the simulations. The collected data was then analyzed to determine the impact of cosolvent volume fractions on the radii of gyration of the polymer. Question Addressed: The research addressed the question of how cosolvency affects the behavior of long-chain polymers. Specifically, the study aimed to investigate the interactions between the polymer, solvent, and cosolvent under different volume fractions and understand the resulting changes in the radii of gyration. Conclusion: In conclusion, this study utilized theoretical modeling and computer simulations to investigate the phenomenon of cosolvency in long-chain polymers. The findings suggest that moderate cosolvent volume fractions can lead to improved miscibility, as indicated by higher radii of gyration. These insights contribute to a better understanding of the molecular mechanisms underlying cosolvency in polymer systems and provide predictions for future experimental studies. The research also enhances the theoretical analysis of the Flory-Huggins free energy theory.

Keywords: molecular modelling, flory-huggins, cosolvency, stimuli-responsive polymers

Procedia PDF Downloads 70

Authors: Mariana Thimotheo, Gabriel Carvalho Ripamonte, Marina De Almeida Nogueira, Silvia Camila Da Costa Aguiar, Marcelo Henrique Santana Ulian, Euclides Braga Malheiros, Isabel Cristina Boleli

Abstract:

Beak plays a fundamental role in the hatching process of the chicks, since it is used for internal and external pipping. The present study examined whether the size of the beak influences the birth period of the broiler chicks in the hatching window. It was analyzed the beak size (length, height and width) of one-hundred twenty nine newly hatched chicks from light eggs (56.22-61.05g) and one-hundred twenty six chicks from heavy eggs (64.95-70.90g), produced by 38 and 45 weeks old broiler breeders (Cobb 500®), respectively. Egg incubation occurred at 37.5°C and 60% RH, with egg turning every hour. Length, height and width of the beaks were measured using a digital caliper (Zaas precision - digital caliper 6", 0.01mm) and the data expressed in millimeters. The beak length corresponded to distance between the tip of the beak and the rictus. The height of the beak was measured in the region of the culmen and its width in the region of the nostrils. Data were analyzed following a 3x2 factorial experimental design, being three birth periods within the hatching window (early: 471.78 to 485.42h, intermediate: 485.43 to 512.27h, and late: 512.28 to 528.72h) and two egg weights (light and heavy). There was a significant interaction between birth period and egg weight for beak height (P < 0.05), which was higher in the intermediate chicks from heavy eggs than in the other chicks from the same egg weight and chicks from light eggs (P < 0.05), that did not differ (P > 0.05). The beak length was influenced only for a birth period, and decreased through the hatch window (early < intermediate < late) (P < 0.05). The width of the beaks was influenced by both main factors, birth period and egg weight (P < 0.05). Early and intermediate chicks had similar beak width, but greater than late chicks, and chicks from heavy eggs presented greater beak width than chicks from light eggs (P < 0.05). In sum, the results show that chicks with longer beak hatch first and that beak length is an important variable for hatch period determination mainly for light eggs.

Keywords: beak dimensions, egg weight, hatching period, hatching window

Procedia PDF Downloads 168

Authors: F. Ambreen, A.Naheed

Abstract:

Osteoarthritis (OA) is a degenerative disorder affecting millions of people worldwide. Nitric oxide (NO) was found to play a catabolic role in the development of osteoarthritis. It is a toxic free radical gas generated during the metabolism of L-arginine by the enzyme Nitric oxide synthase (NOS). Inducible Nitric Oxide Synthase (iNOS) is one of the isoform of NOS, and its overexpression leads to the excessive formation of NO that results in pathophysiological joint conditions. Several synthetic anti-inflammatory drugs and inhibitors are present to date, but all showed side effects and complications. Therefore, the pursuit of natural disease-modifying drugs remains a top priority. Curcumin is an active component of turmeric, and the past few decades have witnessed intense research devoted to the antioxidant and anti-inflammatory properties of curcumin. The present study focused on curcumin and its derivatives in the search for new iNOS inhibitors for the treatment of osteoarthritis. We conducted a molecular docking study on curcumin and its four derivatives; cyclocurcumin, tetrahydrocurcumin, demethoxycurcumin and curcumin monoglucoside with iNOS using CLC Drug discovery work bench 3.02. We selected two co-crystallized ligands for this study; tetrahydrobiopterin and N-omega-propyl-L-arginine present in complex with the enzyme iNOS. Results showed the best binding affinity of N-omega-propyl-L-arginine with cyclocurcumin and curcumin monoglucoside that exhibit binding energies of -65.2 kcal/mol and -68 kcal/mol respectively. Whereas with tetrahydrobiopterin, best binding scores of -64.7 kcal/mol and -62.2 kcal/mol were found with tetrahydrocurcumin and demethoxycurcumin respectively. This information could open doors of research for the designing of novel drugs using herbs such as curcumin for the treatment of inflammatory joint diseases.

Keywords: curcumin, iNOS, molecular docking, osteoarthritis

Procedia PDF Downloads 129

Authors: Xiuxia Sun, Yan Jin, Zilong Liu, Shiming Wei

Abstract:

As a critical mineral component of shale, illite is essential in oil exploration and development due to its surface hydration characteristics and action mechanism. This paper, starting from the perspective of the molecular structure of organic matter, uses molecular dynamics simulation technology to deeply explore the interaction mechanism between organic molecules and the illite surface. In the study, we thoroughly considered the forces such as van der Waals force, electrostatic force, and steric hindrance and constructed an illite crystal model covering C8-C18 modifiers. Subsequently, we systematically analyzed surfactants' adsorption behavior and hydration characteristics with different alkyl chain numbers, lengths, and concentrations on the illite surface. The simulation results show that surfactant molecules with shorter alkyl chains present a lateral monolayer or inclined double-layer arrangement on the illite surface, and these two arrangements may coexist under different concentration conditions. In addition, with the increase in the number of alkyl chains, the interlayer spacing of illite increases significantly. In contrast, the change in alkyl chain length has a limited effect on surface properties. It is worth noting that the change in functional group structure has a particularly significant effect on the wettability of the illite surface, and its influence even exceeds the change in the alkyl chain structure. This discovery gives us a new perspective on understanding and regulating the wetting properties. The results obtained are consistent with the XRD analysis and wettability experimental data in this paper, further confirming the reliability of the research conclusions. This study deepened our understanding of illite's hydration characteristics and mechanism. We provided new ideas and directions for the molecular design and application development of oilfield chemicals.

Keywords: illite, surfactant, hydration, wettability, adsorption

Procedia PDF Downloads 41

Authors: M. Omer Faruk, A. M. A. M. Zonaed Siddiki, M. Fazal Karim, Md. Masuduzzaman, S. Chowdhury, Md. Shafiqul Islam, M. Alamgir Hossain

Abstract:

The dog tapeworms Echinococcus granulosus develop hydatid cysts in various organs in human and domestic animals worldwide including Bangladesh. The aim of this study was to identify and characterize the genotype of E. granulosus isolated from cattle using 12S rRNA and Cytochrome oxidase 1 (COX 1) genes. A total of 43 hydatid cyst samples were collected from 390 examined cattle samples derived from slaughterhouses. Among them, three cysts were fertile. Genomic DNA was extracted from germinal membrane and/or protoscoleces followed by PCR amplification of mitochondrial 12S rRNA and Cytochrome oxidase 1 gene fragments. The sequence data revealed existence of G1 (64.28%) and possible G3 (21.43%) genotypes for the first time in Bangladesh. The study indicates that common sheep strain G1 is the dominant subtype of E. granulosus in Chittagong region of Bangladesh. This will increase our understanding of the epidemiology of hydatidosis in the southern part of the country and will be useful to plan suitable control measures in the long run.

Keywords: Echinococcus granulosus, Cox1, 12S rRNA, molecular characterization, Bangladesh

Procedia PDF Downloads 344

Authors: Lucas Wilman Crispim, Patrícia Hallack, Maikel Ballester

Abstract:

This work aims at modeling electric discharges in gas mixtures. The mathematical model mimics the ignition process in a commercial spark-plug when a high voltage is applied to the plug terminals. A longitudinal unidimensional Cartesian domain is chosen for the simulation region. Energy and mass transfer are considered for a macroscopic fluid representation, while energy transfer in molecular collisions and chemical reactions are contemplated at microscopic level. The macroscopic model is represented by a set of uncoupled partial differential equations. Microscopic effects are studied within a discrete model for electronic and molecular collisions in the frame of ZDPlasKin, a plasma modeling numerical tool. The BOLSIG+ solver is employed in solving the electronic Boltzmann equation. An operator splitting technique is used to separate microscopic and macroscopic models. The simulation gas is a mixture of atomic Argon neutral, excited and ionized. Spatial and temporal evolution of such species and temperature are presented and discussed.

Keywords: CFD, electronic discharge, ignition, spark plug

Procedia PDF Downloads 162

Authors: C. I. Boshoff, S. Steenkamp-Jonker

Abstract:

Cystic echinococcosis (CE), caused by Echinococcus granulosus is an important parasitic infection in livestock worldwide, with severe zoonotic potential. It is important to understand the variability of Echinococcus granulosus, as genotype variations may influence lifecycle patterns, development rate, and transmission. Cystic Echinococcus samples were collected from domestic animals in Eastern Cape Province, South Africa. A molecular study was performed on 14 hydatid cysts obtained from caprine, ovine and bovine livers in order to determine the Echinococcus granulosus strain present in these hosts. The sequencing of the mitochondrial cytochrome C oxidase subunit I (coxI) gene of the hydatid cysts produced sequences of 400 bp for each sample analysed. These sequences were aligned with those present in GenBank and a phylogenetic tree was constructed. Based on coxI genotype the isolates could be grouped into E. granulosus sensu stricto. The findings of the study represent a pilot molecular study on Echinococcus from domestic animals undertaken in South Africa.

Keywords: Echinococcus granulosus, genotypes, livestock, South Africa

Procedia PDF Downloads 429

Authors: Sérgio Afonso Mulema, Andrés Carrión García, Vicente Ernesto

Abstract:

This paper analyses the effect of fertilizer (organic and inorganic) in the growth of tilapia. An experiment was implemented in the Aquapesca Company of Mozambique; there were considered four different treatments. Each type of fertilizer was applied in two of these treatments; a feed was supplied to the third treatment, and the fourth was taken as control. The weight and length of the tilapia were used as the growth parameters, and to measure the water quality, the physical-chemical parameters were registered. The results show that the weight and length were different for tilapias cultivated in different treatments. These differences were evidenced mainly by organic and feed treatments, where there was the largest and smallest value of these parameters, respectively. In order to prove that these differences were caused only by applied treatment without interference for the aquatic environment, a Fisher discriminant analysis was applied, which confirmed that the treatments were exposed to the same environment condition.

Keywords: fertilizer, tilapia, growth, statistical methods

Procedia PDF Downloads 228

Authors: Dilek Yalız Solmaz, Gülsün Güven

Abstract:

The aim of this study is to examine the body image levels of 12-14 years old girls who are playing volleyball. The research group consists of 113 girls who are playing volleyball in Sakarya during the fall season of 2015-2016. Data was collected by means of the 'Body Image Questionnaire' which was originally developed by Secord and Jourard. The consequence of repeated analysis of the reliability of the scale was determined to as '.96'. This study employed statistical calculations as mean, standard deviation and t-test. According to results of this study, it was determined that the mean point of the volleyball players is 158.5 ± 25.1 (minimum=40; maximum=200) and it can be said that the volleyball players’ body image levels are high. There is a significant difference between the underweight (167.4 ± 20.7) and normal weight (151.4 ± 26.2) groups according to their Body Mass Index. Body image levels of underweight group were determined higher than normal weight group.

Keywords: volleyball, players, body image, body image levels

Procedia PDF Downloads 210

Authors: Dinh Ha, Tran, Chung-Ruey Yen

Abstract:

This study explored the morphological characteristics and effects of pollination methods on fruit set and characteristics in four red pitaya (Hylocereus spp.) clones. The distinctive morphological recognition and classification among pitaya clones were confirmed by the stem, flower and fruit features. The fruit production season was indicated from the beginning of May to the end of August, the beginning of September with 6-7 flowering cycles per year. The floral stage took from 15-19 days and fruit duration spent 30–32 days. VN White, fully self-compatible, obtained high fruit set rates (80.0-90.5 %) in all pollination treatments and the maximum fruit weight (402.6 g) in hand self- and (403.4 g) in open-pollination. Chaozhou 5 was partially self-compatible while Orejona and F11 were completely self-incompatible. Hand cross-pollination increased significantly fruit set (95.8; 88.4 and 90.2 %) and fruit weight (374.2; 281.8 and 416.3 g) in Chaozhou 5, Orejona, and F11, respectively. TSS contents were not much influenced by pollination methods.

Keywords: Hylocereus spp., morphology, floral phenology, pollination requirement

Procedia PDF Downloads 303

Authors: Ria Ghosh, Soumendra Singh, Dipanjan Mukherjee, Susmita Mondal, Monojit Das, Uttam Pal, Aniruddha Adhikari, Aman Bhushan, Surajit Bose, Siddharth Sankar Bhattacharyya, Debasish Pal, Tanusri Saha-Dasgupta, Maitree Bhattacharyya, Debasis Bhattacharyya, Asim Kumar Mallick, Ranjan Das, Samir Kumar Pal

Abstract:

Drug delivery to a target without adverse effects is one of the major criteria for clinical use. Herein, we have made an attempt to explore the delivery efficacy of SDS surfactant in a monomer and micellar stage during the delivery of the model drug, Toluidine Blue (TB) from the micellar cavity to DNA. Molecular recognition of pre-micellar SDS encapsulated TB with DNA occurs at a rate constant of k1 ~652 s 1. However, no significant release of encapsulated TB at micellar concentration was observed within the experimental time frame. This originated from the higher binding affinity of TB towards the nano-cavity of SDS at micellar concentration which does not allow the delivery of TB from the nano-cavity of SDS micelles to DNA. Thus, molecular recognition controls the extent of DNA recognition by TB which in turn modulates the rate of delivery of TB from SDS in a concentration-dependent manner.

Keywords: DNA, drug delivery, micelle, pre-micelle, SDS, toluidine blue

Procedia PDF Downloads 113

Authors: Sundaram Arulmozhiraja, Kanade Shimizu, Yuta Yamamoto, Satoshi Ichikawa, Maenaka Katsumi, Hiroaki Tokiwa

Abstract:

Drug discovery is shifting from small molecule based drugs targeting local active site to middle molecules (MM) targeting large, flat, and groove-shaped binding sites, for example, protein-protein interface because at least half of all targets assumed to be involved in human disease have been classified as “difficult to drug” with traditional small molecules. Hence, MMs such as peptides, natural products, glycans, nucleic acids with various high potent bioactivities become important targets for drug discovery programs in the recent years as they could be used for ‘undruggable” intracellular targets. Cell membrane permeability is one of the key properties of pharmacodynamically active MM drug compounds and so evaluating this property for the potential MMs is crucial. Computational prediction for cell membrane permeability of molecules is very challenging; however, recent advancement in the molecular dynamics simulations help to solve this issue partially. It is expected that MMs with high membrane permeability will enable drug discovery research to expand its borders towards intracellular targets. Further to understand the chemistry behind the permeability of MMs, it is necessary to investigate their conformational changes during the permeation through membrane and for that their interactions with the membrane field should be studied reliably because these interactions involve various non-bonding interactions such as hydrogen bonding, -stacking, charge-transfer, polarization dispersion, and non-classical weak hydrogen bonding. Therefore, parameters-based classical mechanics calculations are hardly sufficient to investigate these interactions rather, quantum mechanical (QM) calculations are essential. Fragment molecular orbital (FMO) method could be used for such purpose as it performs ab initio QM calculations by dividing the system into fragments. The present work is aimed to study the cell permeability of middle molecules using molecular dynamics simulations and FMO-QM calculations. For this purpose, a natural compound syringolin and its analogues were considered in this study. Molecular simulations were performed using NAMD and Gromacs programs with CHARMM force field. FMO calculations were performed using the PAICS program at the correlated Resolution-of-Identity second-order Moller Plesset (RI-MP2) level with the cc-pVDZ basis set. The simulations clearly show that while syringolin could not permeate the membrane, its selected analogues go through the medium in nano second scale. These correlates well with the existing experimental evidences that these syringolin analogues are membrane-permeable compounds. Further analyses indicate that intramolecular -stacking interactions in the syringolin analogues influenced their permeability positively. These intramolecular interactions reduce the polarity of these analogues so that they could permeate the lipophilic cell membrane. Conclusively, the cell membrane permeability of various middle molecules with potent bioactivities is efficiently studied using molecular dynamics simulations. Insight of this behavior is thoroughly investigated using FMO-QM calculations. Results obtained in the present study indicate that non-bonding intramolecular interactions such as hydrogen-bonding and -stacking along with the conformational flexibility of MMs are essential for amicable membrane permeation. These results are interesting and are nice example for this theoretical calculation approach that could be used to study the permeability of other middle molecules. This work was supported by Japan Agency for Medical Research and Development (AMED) under Grant Number 18ae0101047.

Keywords: fragment molecular orbital theory, membrane permeability, middle molecules, molecular dynamics simulation

Procedia PDF Downloads 188

Authors: Amna J. Ghith, Khaled Abu Zid, Khairia Youssef, Nasser Saad

Abstract:

Backgrounds: The multikinase and vascular endothelial growth factor (VEGF) receptor inhibitors interrupt the pathway by which angiogenesis becomes established and promulgated, resulting in the inadequate nourishment of metastatic disease. VEGFR-2 has been the principal target of anti-angiogenic therapies. We disclose the new thieno pyrimidines as inhibitors of VEGFR-2 designed by a molecular modeling approach with increased synergistic activity and decreased side effects. Purpose: 2-substituted thieno pyrimidines are designed and synthesized with anticipated anticancer activity based on its in silico molecular docking study that supports the initial pharmacophoric hypothesis with a same binding mode of interaction at the ATP-binding site of VEGFR-2 (PDB 2QU5) with high docking score. Methods: A series of compounds were designed using discovery studio 4.1/CDOCKER with a rational that mimic the pharmacophoric features present in the reported active compounds that targeted VEGFR-2. An in silico ADMET study was also performed to validate the bioavailability of the newly designed compounds. Results: The Compounds to be synthesized showed interaction energy comparable to or within the range of the benzimidazole inhibitor ligand when docked with VEGFR-2. ADMET study showed comparable results most of the compounds showed absorption within (95-99) zone varying according to different substitutions attached to thieno pyrimidine ring system. Conclusions: A series of 2-subsituted thienopyrimidines are to be synthesized with anticipated anticancer activity and according to docking study structure requirement for the design of VEGFR-2 inhibitors which can act as powerful anticancer agents.

Keywords: docking, discovery studio 4.1/CDOCKER, heterocycles based anticancer agents, 2-subsituted thienopyrimidines

Procedia PDF Downloads 246

Authors: Sandrine Dourdain, Cesar Lopez, Tamir Sukhbaatar, Guilhem Arrachart, Stephane Pellet-Rostaing

Abstract:

A promising challenge in solvent extraction is to replace the conventional organic solvents, with ionic liquids (IL). Depending on the extraction systems, these new solvents show better efficiency than the conventional ones. Although some assumptions based on ions exchanges have been proposed in the literature, these properties are not predictable because the involved mechanisms are still poorly understood. It is well established that the mechanisms underlying solvent extraction processes are based not only on the molecular chelation of the extractant molecules but also on their ability to form supra-molecular aggregates due to their amphiphilic nature. It is therefore essential to evaluate how IL affects the aggregation properties of the extractant molecules. Our aim is to evaluate the influence of IL structure and polarity on solvent extraction mechanisms, by looking at the aggregation of the extractant molecules in IL. We compare extractant systems that are well characterized in common solvents and show thanks to SAXS and SANS measurements, that in the absence of IL ion exchange mechanisms, extraction properties are related to aggregation.

Keywords: solvent extraction in Ionic liquid, aggregation, Ionic liquids structure, SAXS, SANS

Procedia PDF Downloads 155

Authors: Mohammed Bello Sokoto, Adewumi Babatunde Adebayo, Ajit Singh

Abstract:

The field experiment was conducted at the dry land Teaching and Research Farm of Usmanu Danfodiyo University, Sokoto, during the 2023 rainy season to determine the effects of organic, inorganic, soil conditioner and integrated use of soil conditioners (Agzyme) with organic (super gro) and inorganic fertilizers on the growth and yield of cowpea varieties. The research consisted of two cowpea varieties (SAMPEA-20-T and ex-GidanYunfa) and six combinations of organic and inorganic fertilizers and soil conditioners factorially combined and laid out in a Randomized Complete Block Design (RCBD) replicated three times. Data were collected on plant height, leaf area index, number of pods per plant, number of seeds per pod, days to 50% flowering, grain yield, and 100 seed weight. Results indicated that the 100% inorganic fertilizer had a significantly increased growth parameter such as plant height and number of leaves, while combined application of the organic fertilizer and soil conditioner resulted in a significant increase in yield parameters such as number of pods per plant, number of seeds per pod, 100 seed weight and grain yield. The study observed that the use of soil conditioner in combination with fertilizers supports sustainable cowpea production. Application of 50% recommended inorganic + 50% soil conditioner or 50% liquid organic + 50% soil conditioner was better in increasing the number of pods/plant, seeds/pod, 100 seed weight and grain yield. The ex-Gidan Yunfa cowpea variety generally performed better in most parameters measured, such as plant height, days to 50% flowering, number of pods per plant, number of seeds per pod, 100 seed weight and grain yield. Therefore, the combined application of 50% recommended inorganic + 50% soil conditioner or 50% liquid organic + 50% soil conditioner is effective for the sustainable production of cowpeas.

Keywords: integrated, fertilizers, growth, yield, cowpea, Sudan Savannah

Procedia PDF Downloads 46

Authors: Nurlisa Uke Dessy, Dwi Septian Erwinsyah, Zuprizal

Abstract:

This experiment was aimed to investigate the effect of rosella flower flour in diet on broiler chicken Performace. The materials used in this experiment were 72 broiler chickens and were divided into six treatments, those were R0 = without rosella flower flour addition, R1 = 0.5% rosella flower flour addition, R2 = 1.0% rosella flower flour addition, R3 = 1.5% rosella flower flour addition, R4 = 2.0% rosella flower flour addition, and R5 = 2.5% rosella flower flour addition. Each treatment consisted of three replications and each replication consisted of four broiler chickens. This research took 35 days to collect the data. Parameters measured were feed intake, rosella flower flour consumption, body weight gain, feed conversion and mortality. The collected data were analyzed using Completely Randomized Design (CRD) and the differences of mean were tested by Duncan’s New Multiple Range Test (DMRT). The result showed the average of feed consumption were 2154; 2154; 2034; 2154; 2034 and 2154 g/bird on broiler chicken that were feed respectively by 0.0; 0.5; 1.0; 1.5; 2.0; and 2.5% rosella flower flour level. The average consumptions of rosella flower flour respectively were 0; 10.77; 20.34; 32.31; 40.68; and 53.85 g/bird. The body weight gains were 1263.33±70.40; 1422.42±36.33; 1443.75±30.00; 1387.42± 35.30; 1411.17±29.58 and 1457.08±40.75 g/bird. Feed conversion results were 1.71±0.94; 1.51±0.37; 1.47±0.62; 1.55±0.40; 1.53±0.30 and 1.48±0.40. The conclusion of the experiment was known that using rosella flower flour until 2.5% level in diet was able to increase broiler chicken performance, and also to decrease broiler chicken feed conversion.

Keywords: feed intake, consumptions rosella flower flour, broiler chickens, body weight gain, feed conversion

Procedia PDF Downloads 634