scholarly journals Nanocomposite Formulation of Ferulic Acid with Different Metals Using Computational Method

2020 ◽  
Vol 3 (1) ◽  
pp. 40-45
Author(s):  
Debraj Hazra ◽  
Rajat Pal
Keyword(s):  
Energy Level ◽  
Ferulic Acid ◽  
Metal Atom ◽  
Energy Levels ◽  
Computational Method ◽  
Gold Silver ◽  
Nickel Platinum ◽  
Model Structures ◽  
Angle Calculation ◽  
Selection Of

Formulation of Nanoparticle – drug composite is becoming a growing field of research in today’s scientific community. In comparison to the research on the experimental methods for these formulations and their application in various fields, the study of the interaction between drug and nanoparticle is less. In this study, we are reporting about the selection of metals for the formulation of nanocomposite with ferulic acid which is a well-known bioflavonoid having different medicinal activities. Ferulic acid contains only one –OH group which may reduce the conflict of selecting the metal atom binding site. For our study, we considered twelve metals which have been reported for having the potentiality to synthesis nanoparticles. These metals are gold, silver, copper, iron, zinc, nickel, platinum, palladium, rhodium, ruthenium, cadmium, and antimony. To mimic the actual nanocomposite structure, one metal atom has interacted with two molecules of ferulic acid. All nanocomposite model structures were designed using Avogadro software for windows. It was subjected to energy minimization and O-metal-O bond angle calculation. From the energy levels, it was observed that cadmium exhibited the lowest energy level and antimony showed the highest energy level suggesting their nanocomposite model structures as the most stable and unstable formulation respectively. 

scholarly journals DESIGNING OF NANOCOMPOSITE MODEL STRUCTURE USING GLYCITEIN AND GENISTEIN WITH TWELVE DIFFERENT METAL ATOMS USING IN SILICO METHOD

2021 ◽  
Vol 8 (11) ◽  
pp. 14-22
Author(s):  
Doyel Chatterjee ◽  
Sukanya Basu Mallick ◽  
Debraj Hazra ◽  
Rajat Pal
Keyword(s):  
Binding Site ◽  
Energy Levels ◽  
Metal Atoms ◽  
Gold Silver ◽  
Iron Nickel ◽  
Silver Palladium ◽  
Least Energy ◽  
Saturated Structure ◽  
Selection Of ◽  
Palladium Platinum

Nanocomposite formulation is still in its evolving state. However due to its significant therapeutic applications it has grabbed the attention of many researchers. Isoflavonewhich is widely found in soy products have tremendous medicinal propertieswhen it interacts with nanoparticles can become a boon. Hence in this study, we are reporting the interaction properties/patterns of two ubiquitous flavones namelyGlycitein and Genistein forming a nanocomposite model with 12 different metals such as Gold, Silver, Palladium, Platinum, Ruthenium, Rhodium, Cadmium, Iron, Nickel, Zinc, Copper and Antimony based ontheir potency to form nanoparticles. To mimic the Nanocomposite, model the formulation was conducted in Avogadro Software for windows. Glycitein and Genistein create a possibility of selecting the most suitable -OH position that would serve as the binding site. On selection of the appropriate binding site the interaction amid two molecules of glycitein and genistein placed sidewise held together by above-mentioned metals also surrounded by the same metal on another vacant -OH position forming a close saturated structure subjected for interaction. Based on predominantly energy levels the least energy obtained model was Cadmium and the peak procured by Antimony making it least stable and unfavorable for the perceived result.

Radical induced intermolecular linkage and energy level modifications of a porphyrin monolayer

2017 ◽  
Vol 53 (6) ◽  
pp. 1104-1107 ◽  
Author(s):  
Abdolreza Jahanbekam ◽  
Colin Harthcock ◽  
David Y. Lee
Keyword(s):  
Energy Level ◽  
Scanning Tunneling Microscopy ◽  
Surface Structure ◽  
Energy Levels ◽  
New Method ◽  
Scanning Tunneling ◽  
Tunneling Microscopy ◽  
Molecular Scale

A new method to directly modify the surface structure and energy levels of a porphyrin monolayer was examined with molecular-scale resolution using scanning tunneling microscopy and spectroscopy (STM and STS) and presented in this communication.

VIBRATIONAL ENERGIES OF MEMBERS IN STRUCTURAL NETWORKS FITTED WITH TUNED VIBRATION ABSORBERS

2006 ◽  
Vol 06 (02) ◽  
pp. 269-284 ◽  
Author(s):  
SUNNY K. GEORGE ◽  
K. SHANKAR
Keyword(s):  
Energy Level ◽  
Vibrational Energy ◽  
General Structure ◽  
Energy Levels ◽  
Complex Structure ◽  
Input Power ◽  
Vibration Absorbers ◽  
Tuned Vibration Absorbers ◽  
Vibrational Energies ◽  
Structural Networks

The distribution of vibrational energy in members of a complex structure with tuned absorbers attached at the joints and subjected to dynamic loading is studied. The concept of power flows through the structure is used to determine the time-averaged energy levels of each member in the structure. The power flows are calculated using the time-averaged product of force and velocity at the input and coupling points (joints) of a general structure made of axially vibrating rods. The receptance approach is used to calculate the coupling forces and velocities in the structure. By balancing the input power against the dissipated powers, the time-averaged energy levels in members are determined. The main criteria studied here is the reduction in the frequency-averaged vibrational energy level of a member when an absorber is attached, expressed as a percentage compared to the case where there are no absorbers. The concept is first illustrated with a simple model of 2 axially vibrating rods with an absorber attached to the joint. Next, a more complex structure comprising 8 rods with arbitrary orientations and several absorbers attached to junctions is studied. The effect of activating absorbers at various locations on reducing the energy levels of certain members is examined. It is possible to estimate the usefulness of the absorber with respect to any member by determining the percentage reduction of energy level for that member.

PREPARATION AND CHARACTERIZATION OF Zr-DOPED TiN NANOFILM

2007 ◽  
Vol 21 (18n19) ◽  
pp. 3455-3458
Author(s):  
ANPING LIU ◽  
YINFENG WANG ◽  
XUEHENG YANG
Keyword(s):  
Thin Film ◽  
Corrosion Resistance ◽  
Energy Level ◽  
Mixed Crystal ◽  
Energy Levels ◽  
Energy Band Structure ◽  
Reactive Magnetron ◽  
Tin Coating ◽  
New Energy

The Zr -doped TiN coating, a nanometer (Ti, Zr)N thin film, has been deposited by reactive magnetron sputtering on slides and Al substrates. The crystalline phase and energy band structure have been analyzed by XRD and STS. The results of XRD show that the (Ti, Zr)N film is poly crystalline and consisted of mixed crystal of TiN and ZrN phase. The STS spectra show that Zr -doping didn't change the position and band-gap of energy level, only two new energy levels appeared, Eg = 0.33eV and Eg = 0.42eV. According to the results of measurement, (Ti, Zr)N has higher hardness and better corrosion resistance than TiN by Zr -doping.

scholarly journals Metabolizable energy levels for semi-heavy laying hens at the second production cycle

2009 ◽  
Vol 38 (5) ◽  
pp. 857-862
Author(s):  
Fernando Guilherme Perazzo Costa ◽  
Janaine Sena da Costa ◽  
Cláudia de Castro Goulart ◽  
Denise Fontana Figueiredo-Lima ◽  
Raul da Cunha Lima Neto ◽  
...  
Keyword(s):  
Energy Level ◽  
Feed Intake ◽  
Egg Production ◽  
Laying Hens ◽  
Energy Levels ◽  
Metabolizable Energy ◽  
Production Cycle ◽  
Egg Mass ◽  
Feed Conversion

This study was carried out to evaluate the energy levels in the diet to obtain better performance rates and quality of eggs from laying hens in the second production cycle. One hundred and eighty Bovans Goldline laying hens with 62 weeks of age were used during four 28-day periods. A completely randomized experimental design was used with four metabolizable energy levels (2,650, 2,725, 2,800, 2,875 and 2,950 kcal/kg), each with six replicates of six birds. The energy level of diet did not affect the weight of the egg, yolk, albumen and eggshell, the percentages of yolk, albumen and eggshell, yolk color and egg specific gravity. Feed intake, egg production, egg mass and feed conversion per egg mass and per dozen eggs increased significantly with increasing levels of metabolizable energy. Feed intake decreased linearly as the energy level in the diet increased. The metabolizable energy levels showed a quadratic effect on egg production, egg mass and feed conversion per egg mass and per dozen eggs. The metabolizable energy level of 2,830 kcal/kg was the most appropriate to promote better performance and quality of eggs from laying hens in the second production cycle.

scholarly journals Quantitative characteristics of the carcasses of Moxotó and Canindé goats fed diets with two different energy levels

2010 ◽  
Vol 39 (7) ◽  
pp. 1565-1570 ◽  
Author(s):  
Ana Cristina Chacon Lisboa ◽  
Dermeval Araújo Furtado ◽  
Ariosvaldo Nunes de Medeiros ◽  
Roberto Germano Costa ◽  
Rita de Cássia do Egypto Queiroga ◽  
...  
Keyword(s):  
Body Weight ◽  
Energy Level ◽  
Energy Levels ◽  
Experimental Period ◽  
Carcass Yield ◽  
Final Weight ◽  
Quantitative Characteristics ◽  
Energetic Level ◽  
Average Body ◽  
Average Body Weight

The objective of this work was to evaluate the quantitative characteristics of carcasses of Moxotó and Canindé goats finished in feedlots and fed diets of two levels of energy. It was used 40 castrated young goats, 20 from Moxotó breed and 20 from Canindé breed, each one with an average body weight of 15.2 kg. The animals were fed with diets containing 2.20 and 2.71 (Mcal/kg DM). The experimental period lasted 86 days. There was no difference among the barometric measures of Moxotó and Canindé kids. Canindé goats showed higher final weight, higher weight after fasting and higher hot and cold carcass weights when compared to the Moxotó animals. Animals that consumed diets with higher energy level had higher final weight and conformation as well as higher carcass yield. Considering the percentage values of the commercial meat cuts, no difference among treatments was observed. The diet was the factor that most influenced the non-constituent components of the carcass of Moxotó and Canindé goats. In general, animals belonging to the Canindé breed presented higher quantitative characteristics than the Moxotó breed. Supply of diets with higher energetic level (2.71 Mcal/kg DM) for goats from Moxotó and Canindé breeds, in feedlots, favors the production of carcass with higher yields and heavier commercial meat cuts.

scholarly journals Poor coherence in older people's speech is explained by impaired semantic and executive processes

eLife ◽  
2018 ◽  
Vol 7 ◽  
Author(s):  
Paul Hoffman ◽  
Ekaterina Loginova ◽  
Asatta Russell
Keyword(s):  
Older Adults ◽  
Older People ◽  
Speech Production ◽  
Semantic Knowledge ◽  
Computational Method ◽  
Cognitive Factors ◽  
Executive Processes ◽  
Age Related ◽  
The World ◽  
Selection Of

The ability to speak coherently is essential for effective communication but declines with age: older people more frequently produce tangential, off-topic speech. The cognitive factors underpinning this decline are poorly understood. We predicted that maintaining coherence relies on effective regulation of activated semantic knowledge about the world, and particularly on the selection of currently relevant semantic representations to drive speech production. To test this, we collected 840 speech samples along with measures of executive and semantic ability from 60 young and older adults, using a novel computational method to quantify coherence. Semantic selection ability predicted coherence, as did level of semantic knowledge and a measure of domain-general executive ability. These factors fully accounted for the age-related coherence deficit. Our results indicate that maintaining coherence in speech becomes more challenging as people age because they accumulate more knowledge but are less able to effectively regulate how it is activated and used.

scholarly journals Radiation Sterilization: Dose Is Dose

2020 ◽  
Vol 54 (s1) ◽  
pp. 45-52
Author(s):  
Joyce M. Hansen ◽  
Niki Fidopiastis ◽  
Trabue Bryans ◽  
Michelle Luebke ◽  
Terri Rymer
Keyword(s):  
Energy Level ◽  
Energy Levels ◽  
Radiation Energy ◽  
Biological Indicators ◽  
High Energy ◽  
Microbial Inactivation ◽  
Radiation Sterilization ◽  
Dose Rates ◽  
Radiation Sources ◽  
Radiation Sterilization Dose

Abstract In the radiation sterilization arena, the question often arises as to whether radiation resistance of microorganisms might be affected by the energy level of the radiation source and the rate of the dose delivered (kGy/time). The basis for the question is if the microbial lethality is affected by the radiation energy level and/or the rate the dose is delivered, then the ability to transfer dose among different radiation sources could be challenged. This study addressed that question by performing a microbial inactivation study using two radiation sources (gamma and electron beam [E-beam]), two microbial challenges (natural product bioburden and biological indicators), and four dose rates delivered by three energy levels (1.17 MeV [gamma], 1.33 MeV [gamma], and 10 MeV [high-energy E-beam]). Based on analysis of the data, no significant differences were seen in the rate of microbial lethality across the range of radiation energies evaluated. In summary, as long as proof exists that the specified dose is delivered, dose is dose.

scholarly journals Effects of dietary energy levels using calcium salts of fatty acids on nutritive value of diets and milk quality in peripartum dairy goats

2014 ◽  
Vol 38 (3) ◽  
pp. 286-294 ◽  
Author(s):  
Rodrigo de Souza ◽  
Claudete Regina Alcalde ◽  
Bruna Hygino ◽  
Bruna Susan de Labio Molina ◽  
Geraldo Tadeu dos Santos ◽  
...  
Keyword(s):  
Fatty Acids ◽  
Body Weight ◽  
Energy Level ◽  
Milk Fat ◽  
Dry Matter ◽  
Nutritive Value ◽  
Energy Levels ◽  
Milk Quality ◽  
Dietary Energy ◽  
Dairy Goats

Peripartum is a critical period for dairy goats, as dry matter intake (DMI) is not enough to supply the energy requirement for foetal growth and subsequent lactation. The objective of this study was to evaluate the use of calcium salts of fatty acids (CSFA) to increase dietary energy level of peripartum dairy goats and its effects on nutritive value of diets and milk quality. Twenty multiparous Saanen goats (body weight 63.5±10.3 kg) were distributed in a completely randomised design in four treatments at the following dietary energy levels: 2.6 Mcal of metabolisable energy per kg of dry matter (Mcal ME/kg DM) - control diet; and 2.7, 2.8, and 2.9 Mcal/kg DM - with added CSFA. Goats were housed in individual stalls and evaluated in the peripartum period, by measuring body weight (BW), DMI, dry matter and nutrient digestibility of diets, blood composition, and milk quality and yield. Increasing dietary energy level to 2.9 Mcal ME/kg DM had no effect on BW and did not limit DMI. CSFA supplementation increased intake of total digestible nutrients and did not affect fibre digestion. Blood triglycerides and cholesterol concentration increased with CSFA addition. The treatments had no effect on milk yield and composition; however, CSFA supplementation changed the fatty acid concentration of milk fat, increasing levels of polyunsaturated and essential fatty acids. In conclusion, peripartum dairy goats supplemented with CSFA to increase dietary energy level up to 2.9 Mcal ME/kg DM had a greater supply of total digestible nutrients and showed altered fatty acid concentration of milk fat.

scholarly journals The effect on rats of practical diets containing different protein and energy levels

1983 ◽  
Vol 17 (4) ◽  
pp. 330-335 ◽  
Author(s):  
D. J. Ford ◽  
R. J. Ward
Keyword(s):  
Energy Level ◽  
Lower Energy ◽  
Energy Levels ◽  
Amino Acid Content ◽  
Bodyweight Gain ◽  
The Other ◽  
Food Utilization ◽  
Fat Deposits ◽  
Consequent Increase ◽  
Different Levels

Rats of 3 strains were fed diets of natural ingredients in 4 different laboratories. The diets contained different levels of protein and energy within ranges comparable to those found in existing laboratory diets. Energy level over the range examined appeared to exert greatest influence on bodyweight gain, but had no effect on food intake. The diet with the highest amino acid content was consumed in smaller amounts than the other diets. Food utilization was less efficient in the lower energy diets. Fat deposition was reduced in animals fed the lowest energy diet. It is concluded that energy level of the diet exerts an effect on the rate of bodyweight gain in rats, but that for longer-term studies a reduced energy level may be beneficial by leading to smaller fat deposits with consequent increase in longevity.

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