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Wyszukujesz frazę "Shah, A." wg kryterium: Autor


Tytuł:
Minimising backbreak at the Dewan Cement limestone quarry using an artificial neural network
Minimalizacja zasięgu kruszenia złoża poza obszarem prac strzałowych w kamieniołomie wydobywającym wapień do produkcji cementu w Dewan, przy wykorzystaniu sztucznych sieci neuronowych
Autorzy:
Muhammad, K.
Shah, A.
Powiązania:
https://bibliotekanauki.pl/articles/219371.pdf
Data publikacji:
2017
Wydawca:
Polska Akademia Nauk. Czytelnia Czasopism PAN
Tematy:
sieci neuronowe
zasięg kruszenia
analiza wrażliwości
modelowanie
projektowanie robót strzałowych
kamieniołom
neural network
backbreak
sensitivity analysis
modeling
blast design
quarry
Opis:
Backbreak, defined as excessive breakage behind the last row of blastholes in blasting operations at a quarry, causes destabilisation of rock slopes, improper fragmentation, minimises drilling efficiency. In this paper an artificial neural network (ANN) is applied to predict backbreak, using 12 input parameters representing various controllable factors, such as the characteristics of explosives and geometrical blast design, at the Dewan Cement limestone quarry in Hattar, Pakistan. This ANN was trained with several model architectures. The 12-2-1 ANN model was selected as the simplest model yielding the best result, with a reported correlation coefficient of 0.98 and 0.97 in the training and validation phases, respectively. Sensitivity analysis of the model suggested that backbreak can be reduced most effectively by reducing powder factor, blasthole inclination, and burden. Field tests were subsequently carried out in which these sensitive parameters were varied accordingly; as a result, backbreak was controlled and reduced from 8 m to less than a metre. The resulting reduction in powder factor (kg of explosives used per m3 of blasted material) also reduced blasting costs.
Kruszenie części złoża poza obszarem prowadzonych prac strzałowych oznacza nadmierne pękanie skał poza ostatnim rzędem otworów strzałowych w trakcie prac w kamieniołomach i prowadzi do destabilizacji górotworu poprzez zmianę nachylenia warstw skalnych, powoduje niepotrzebną fragmentację skał i obniża efektywność prac wiertniczych. W pracy tej wykorzystano sztuczną sieć neuronową (ANN) do przewidywania zasięgu kruszenia dalszej części złoża przy wykorzystaniu 12 parametrów wejściowych. Parametry te opisują różne zmienne czynniki, np. charakterystyka materiału wybuchowego czy przyjęty plan prac strzałowych w kamieniołomie Deewan w regionie Hattar w Pakistanie. Prowadzono proces uczenia sieci dla różnej architektury modelu, wybrano model 12-2-1 ANN, jako model najprostszy, zapewniający najlepszy wynik a współczynniki korelacji uzyskane dla fazy uczenia i walidacji wyniosły odpowiednio 0.98 i 0.97. Przeprowadzona analiza wrażliwości modelu wykazała że zasięg kruszenia dalszych części złoża obniżyć można poprzez zmianę parametrów ładunku strzelniczego, zmianę nachylenia otworów strzałowych oraz zmianę przybitki. Badania terenowe w czasie których ulegały zmianie wartości wyżej wymienionych wrażliwych parametrów wykazały, że zasięg kruszenia złoża poza obszarem prac strzałowych ograniczono z uprzednich 8 m do wielkości poniżej jednego metra. Obniżenie współczynnika charakteryzującego ładunek (kg zastosowanego materiału wybuchowego przypadający na 1 m3 rozkruszonego materiału skalnego) pozwoliło także na obniżenie kosztów prac strzałowych.
Źródło:
Archives of Mining Sciences; 2017, 62, 4; 795-806
0860-7001
Pojawia się w:
Archives of Mining Sciences
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Synthesis, characterization and analytical applications of chelating resin containing orcinol
Autorzy:
Shah, B. A.
Shah, A. V.
Patel, N. B
Shah, M.
Powiązania:
https://bibliotekanauki.pl/articles/779773.pdf
Data publikacji:
2012
Wydawca:
Zachodniopomorski Uniwersytet Technologiczny w Szczecinie. Wydawnictwo Uczelniane ZUT w Szczecinie
Tematy:
separacja analityczna
żywice chelatujące
kopolimery
wymiana
analytical separation
chelating resin
column operation
copolymer
exchange capacity
Opis:
A chelating resin based on Salicylic acid-Formaldehyde copolymer, containing Orcinol (SFO), has been synthesized and characterized on the basis of Elemental Analysis, Particle Size Distribution, FT-IR Analysis, XRD, SEM and Optical Photographs. The Physico-Chemical properties have been studied. This resin is highly stable in acidic and alkaline solutions and has been studied as a chelating sorbent for heavy metal ions and transition metal ions. The Exchange capacity order is Ni(II) > Cu(II) > Zn(II) > Cd(II) > Pb(II). The effect of nature and concentration of different electrolytes on distribution coefficient (Kd) for metal ions have been investigated. Separation of synthetic mixtures containing Cu(II)-Pb(II), Ni(II)-Cd(II) and Brass constituents has been carried out using a column prepared from the synthesized chelating resin. The developed procedure was also tested for the removal of Cd(II) and Pb(II) from natural water of Purna River near by Navsari, Gujarat, India. Keywords
Źródło:
Polish Journal of Chemical Technology; 2012, 14, 2; 88-96
1509-8117
1899-4741
Pojawia się w:
Polish Journal of Chemical Technology
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Study of three dimensional propagation of waves in hollow poroelastic circular cylinders
Autorzy:
Shah, S. A.
Powiązania:
https://bibliotekanauki.pl/articles/265039.pdf
Data publikacji:
2015
Wydawca:
Uniwersytet Zielonogórski. Oficyna Wydawnicza
Tematy:
Biot's theory
poroelastic cylindrical shell
pervious surface
impervious surface
wavenumber
frequency
propagacja fal
teoria Biota
drgania skrętne
Opis:
Employing Biot’s theory of wave propagation in liquid saturated porous media, waves propagating in a hollow poroelastic circular cylinder of infinite extent are investigated. General frequency equations for propagation of waves are obtained each for a pervious and an impervious surface. Degenerate cases of the general frequency equations of pervious and impervious surfaces, when the longitudinal wavenumber k and angular wavenumber n are zero, are considered. When k=0, the plane-strain vibrations and longitudinal shear vibrations are uncoupled and when […] these are coupled. It is seen that the frequency equation of longitudinal shear vibrations is independent of the nature of the surface. When the angular (or circumferential) wavenumber is zero, i.e., n=0, axially symmetric vibrations and torsional vibrations are uncoupled. For n[…] these vibrations are coupled. The frequency equation of torsional vibrations is independent of the nature of the surface. By ignoring liquid effects, the results of a purely elastic solid are obtained as a special case.
Źródło:
International Journal of Applied Mechanics and Engineering; 2015, 20, 3; 565-587
1734-4492
2353-9003
Pojawia się w:
International Journal of Applied Mechanics and Engineering
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Synthesis and antimicrobial activity of coumarinyl Schiff base derivatives
Autorzy:
Mishra, A.
Rathod, J.
Namera, D.
Thakrar, S.
Shah, A.
Powiązania:
https://bibliotekanauki.pl/articles/411623.pdf
Data publikacji:
2014
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
gram positive bacterial
gram negative bacterial
derivatives of coumarin
Opis:
We have reported some novel N’-[(1)-ethylidene]-2-(6-methyl-2-oxo-2H-chromen-4-yl) acetohydrazide synthesized by conventional method. The reaction of 2-(6-methyl-2-oxo-2H-chromen-4-yl)acetohydrazide with substituted benzaldehyde in methanol as a solvent yielded a series of (7a-l). The structures of all synthesized compounds are well characterized by Mass, FT-IR, 1H NMR, 13C NMR and elemental analysis. Moreover, all synthesized compounds were screened for in vitro antimicrobial activity against the gram positive (Staphylococcus aureus, Bacilluas subtilis) and gram negative (Escherichia coli, P. aeruginosa, K. pneunonae, Enterobacter) bacterial strain. In which some the compounds show potential inhibition against the test organisms.
Źródło:
International Letters of Chemistry, Physics and Astronomy; 2014, 11, 3; 193-201
2299-3843
Pojawia się w:
International Letters of Chemistry, Physics and Astronomy
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Acid-Promoted Synthesis of Imidazolyl-Pyrazole Derivatives via a Multicomponent Reaction Using Ultra Sound Irradiation
Autorzy:
Baria, B.
Viradiya, D.
Kotadiya, V.
Kakadiya, R.
Shah, A.
Powiązania:
https://bibliotekanauki.pl/articles/412490.pdf
Data publikacji:
2014
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
Imidazole
ultrasound irradiation
Imidazolyl-Pyrazole
Benzil
Opis:
Some new imidazolyl pyrazole derivatives have been synthesized using benzil, ammonium acetate, and heterocyclic aldehyde in ethanol and acetic acid under ultra sound irradiation. The obtained products using this approach are having high purity and good in yield. By conducting the reactions in ethanol, the solid products were precipitated out and could be isolated simply by filtration. The synthesized compounds were characterized by various analytical techniques such as 1H and 13C NMR and further supported by mass spectroscopy.
Źródło:
International Letters of Chemistry, Physics and Astronomy; 2014, 11, 3; 277-283
2299-3843
Pojawia się w:
International Letters of Chemistry, Physics and Astronomy
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Guided circumferential waves in layered poroelastic cylinders
Autorzy:
Shah, S. A.
Apsar, G.
Powiązania:
https://bibliotekanauki.pl/articles/265282.pdf
Data publikacji:
2016
Wydawca:
Uniwersytet Zielonogórski. Oficyna Wydawnicza
Tematy:
teoria Biota
fala obwodowa
wał
łożysko
frequency
wave number
impermeable surface
borepiston assembly
shaft-bearing assembly
circumferential waves
poroelastic layered cylinder
Biot’s theory
Opis:
The present paper investigates the propagation of time harmonic circumferential waves in a two-dimensional hollow poroelastic cylinder with an inner shaft (shaft-bearing assembly). The hollow poroelastic cylinder and inner shaft are assumed to be infinite in axial direction. The outer surface of the cylinder is stress free and at the interface, between the inner shaft and the outer cylinder, it is assumed to be free sliding and the interfacial shear stresses are zero, also the normal stress and radial displacements are continuous. The frequency equation of guided circumferential waves for a permeable and an impermeable surface is obtained. When the angular wave number vanish the frequency equation of guided circumferential waves for a permeable and an impermeable surface degenerates and the dilatational and shear waves are uncoupled. Shear waves are independent of the nature of surface. The frequency equation of a permeable and an impermeable surface for bore-piston assembly is obtained as a particular case of the model under consideration when the outer radius of the hollow poroelastic cylinder tends to infinity. Results of previous studies are obtained as a particular case of the present study. Nondimensional frequency as a function of wave number is presented graphically for two types of models and discussed. Numerical results show that, in general, the first modes are linear for permeable and impermeable surfaces and the frequency of a permeable surface is more than that of an impermeable surface.
Źródło:
International Journal of Applied Mechanics and Engineering; 2016, 21, 4; 933-950
1734-4492
2353-9003
Pojawia się w:
International Journal of Applied Mechanics and Engineering
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Synthesis and characterization of some new Schiff bases of 2-oxonaphtho[2,1-b][1,4]oxazine
Autorzy:
Chovatiya, P.
Mehta, C.
Senjani, H.
Shah, A.
Joshi, H. S.
Powiązania:
https://bibliotekanauki.pl/articles/411737.pdf
Data publikacji:
2014
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
2-Oxonaphtho[2,1-b][1,4]oxazine
Schiff base
Opis:
The literature review reveal that [1,4]-oxazine derivatives represent one of the most active classes of compounds possessing wide spectrum of biodynamic activities and use as potent therapeutic agents. In the present work, a series of Schiff base of 2-(2,3-dihydro-2-oxonaphtho[2,1-b][1,4]oxazin-1-yl)acetohydrazide, 5a-5j has been synthesized using 1-aminonaphthalen-2-ol. Various aromatic aldehyde were react with carbohydrazide 4 in the presence of acid to produce the 2-oxonaphtho[2,1-b][1,4]oxazin Schiff base derivatives with good yields. All synthesized compounds were characterized by IR, NMR and Mass spectrometry analysis.
Źródło:
International Letters of Chemistry, Physics and Astronomy; 2014, 12; 26-30
2299-3843
Pojawia się w:
International Letters of Chemistry, Physics and Astronomy
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
The construction and analysis of repeated measurement designs (RMD) using the trial and error method
Autorzy:
Mir, Shakeel A.
Shah, Immad A.
Powiązania:
https://bibliotekanauki.pl/articles/1363623.pdf
Data publikacji:
2021
Wydawca:
Główny Urząd Statystyczny
Tematy:
residual effects
order effects
balanced minimal rmd
Opis:
Repeated measurement designs prove broadly applicable in almost all branches of biosciences, including agriculture, animal husbandry, botany, zoology. Unbiased estimators for elementary contrasts among direct and residual effects are obtainable in this class of designs, which is considered their important property. In this paper, an attempt was made to provide a new method of overcoming a drawback in the construction method developed by Afsarinejad (1983), where one or more treatments may occur more than once in certain sequences causing the constructed designs to no longer remain uniform in the examined periods. Nine designs were constructed and presented jointly with their corresponding mathematical analyses.
Źródło:
Statistics in Transition new series; 2021, 22, 1; 131-144
1234-7655
Pojawia się w:
Statistics in Transition new series
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Highly efficient and eco-friendly one-pot synthesis of penta substitute pyrrole derivatives under catalyst-free conditions
Autorzy:
Viradiya, D. J.
Baria, B. H.
Kakadiya, R.
Kotadiya, V. C.
Shah, A.
Powiązania:
https://bibliotekanauki.pl/articles/412605.pdf
Data publikacji:
2014
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
one-pot synthesis
penta-substituted pyrrole derivatives
multi-component reactions
Opis:
An eco-friendly and efficient one-pot synthesis of penta-substituted pyrrole derivatives via a four-component reaction of maldrum’s acid, arylglyoxal monohydrate, dimethyl but-2-yne-dioate and amines under catalyst-free conditions in an environmentally friendly medium is described. The simple experimental procedure, catalyst-free reaction conditions, short period of conversion, and excellent yields are the advantages of the present method. Good chemical yields have been achieved without the need for chromatography and recrystallization or other purification methods.
Źródło:
International Letters of Chemistry, Physics and Astronomy; 2014, 11, 3; 257-264
2299-3843
Pojawia się w:
International Letters of Chemistry, Physics and Astronomy
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Power Loss Reduction With Optimal Size And Location Of Capacitor Banks Installed At 132 kv Grid Station Qasimabad Hyderabad
Autorzy:
Katyara, S.
Shah, M. A.
Iżykowski, J.
Powiązania:
https://bibliotekanauki.pl/articles/410606.pdf
Data publikacji:
2016
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
capacitor bank
power loss
voltage profile
distribution system
MATLAB
Opis:
With Growing Concerns About Voltage Profile And Power Factor At Distribution Networks, The Capacitor Banks Are Invariably Installed For Reactive Power Compensation. The Reactive Power Supplied By Capacitor Banks Is Proportional To Square Of Their Rated Loading Voltage. Capacitor Banks Eventually Increase The Loading Capacity Of Feeders, So As To Supply More Customers Through Same Line Section. Capacitor Banks Can Be Installed Anywhere On The Network. The Idea Of This Paper Is To Reduce Total Power Loss And Ensure Greater Availability Of Capacitor Bank Installed At 132 Kv Grid Station Qasimabad Hyderabad, For Reactive Power Compensation, Even Under Worst Conditions On Distribution System. This Is Achieved By Enhancing Its Location And Size. At Present Capacitor Bank Of Full Size, I.E. Of 1.21 Mvar Is Installed At 11 Kv Bus Of 132 Kv Grid Station Qasimabad Hyderabad. Moreover This Paper Suggests Small Sized Capacitor Banks That Would Be Installed At Different Feeders Instead Of One Large Size Capacitor Bank At 11 Kv Bus. The Voltage Profile And Power Losses With Present Sized Capacitor Bank And The Proposed Small Sized Capacitor Banks Are Compared In This Work. The Distribution Network Has Been Simulated By Using MATLAB .
Źródło:
Present Problems of Power System Control; 2016, 7; 53-64
2084-2201
Pojawia się w:
Present Problems of Power System Control
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Influence of straw incorporation-to-planting interval on soil physical properties and maize performance
Autorzy:
Dahri, I.A.
Tagar, A.A.
Adamowski, J.
Leghari, N.
Shah, A.R.
Soomro, S.A.
Powiązania:
https://bibliotekanauki.pl/articles/26328.pdf
Data publikacji:
2018
Wydawca:
Polska Akademia Nauk. Instytut Agrofizyki PAN
Źródło:
International Agrophysics; 2018, 32, 3
0236-8722
Pojawia się w:
International Agrophysics
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Novel conversion of 4-aminoquinolines to new tricyclic (R,S)-3-methylazeto[3,2-c] quinolin-2(2aH)-ones and versatile one step synthesis of N-(quinolin-4-yl) carbamates from 4-aminoquinolines
Autorzy:
Kotadiya, V. C.
Viradiya, D. J.
Baria, B. H.
Kanzariya, J. S.
Kakadiya, R.
Shah, A.
Powiązania:
https://bibliotekanauki.pl/articles/412269.pdf
Data publikacji:
2014
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
quinolin
carbamates
azeto-quinolinone
aminoquinolines
Opis:
Reaction of 4-aminoquinolines with 4-nitrophenyl chloroformate have resulted in finding a novel transformation of 4-aminoquinolines to tricyclic (R,S)-3-methylazeto[3,2-c]quinolin-2(2aH)-ones. The structure of azeto-quinolinone was determined via spectroscopic and chemical methods. Various alcohols were used as nucleophiles to open the 1-azetinone ring to give the corresponding N-(quinolin-4-yl)carbamates in good yields. We also found a new and versatile one step synthesis of N-(quinolin-4-yl)carbamates by reacting 4-aminoquinolines with alkyl chloroformates in the presence of anhyd K2CO3 in acetonitrile.
Źródło:
International Letters of Chemistry, Physics and Astronomy; 2014, 11, 3; 265-276
2299-3843
Pojawia się w:
International Letters of Chemistry, Physics and Astronomy
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Vibrations in a fluid-loaded poroelastic hollow cylinder surrounded by a fluid in plane-strain form
Autorzy:
Shanker, B.
Nath, C. N.
Shah, S. A.
Reddy, P. M.
Powiązania:
https://bibliotekanauki.pl/articles/265190.pdf
Data publikacji:
2013
Wydawca:
Uniwersytet Zielonogórski. Oficyna Wydawnicza
Tematy:
teoria Biota
częstotliwość
wibracje
prędkość fazowa
Biot's theory
fluid-loaded poroelastic cylinder
frequency
planestrain vibrations
phase velocity
Opis:
Plane-strain vibrations in a fluid-loaded poroelastic hollow cylinder surrounded by a fluid are investigated employing Biot’s theory of wave propagation in poroelastic media. The poroelastic hollow cylinder is homogeneous and isotropic, while the inner and outer fluids are homogeneous, isotropic and inviscid. The frequency equation of the fluid-loaded poroelastic cylinder surrounded by a fluid is obtained along with several particular cases, namely, fluid-loaded poroelastic cylinder, fluid-loaded bore, poroelastic cylinder surrounded by a fluid and poroelastic solid cylinder submerged in a fluid. The frequency equations are obtained for axially symmetric, flexural and anti-symmetric vibrations each for a pervious and an impervious surface. Nondimensional frequency for propagating modes is computed as a function of the ratio of thickness to the inner radius of the core. The results are presented graphically for two types of poroelastic cylinders and then discussed.
Źródło:
International Journal of Applied Mechanics and Engineering; 2013, 18, 1; 189-216
1734-4492
2353-9003
Pojawia się w:
International Journal of Applied Mechanics and Engineering
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
FORMULATION AND EVALUATION OF INDOMETHACIN LOADED NANOSPONGES FOR ORAL DELIVERY
Autorzy:
Abbas, Nasir
Sarwar, Komal
Irfan, Muhammad
Hussain, Amjad
Mehmood, Rabia
Arshad, Muhammad S.
Shah, Pervaiz A.
Powiązania:
https://bibliotekanauki.pl/articles/895238.pdf
Data publikacji:
2018-10-31
Wydawca:
Polskie Towarzystwo Farmaceutyczne
Tematy:
sustained release
indomethacin
Nanosponges
Emulsion solvent diffusion method
Franz diffusion cell
Opis:
Nanosponges (NS) loaded sustained release tablet formulations of a non-steroidal anti-inflammatory drug; Indomethacin were successfully developed and evaluated for their pharmaceutical properties. Twelve nanosponge formulations were fabricated by solvent diffusion method by using different ratios of drug and polymers (ethyl cellulose and polyvinyl alcohol). Particle size of all the formulations was in the nano range of 221 to 625 nm and it was found dependent on the polymer concentration. Drug loading and entrapment efficiency was ranged in 32.2 to 59.4 % and 30.1 to 64.8 %, respectively. Formulations with equal proportion of drug and polymer resulted in higher values of drug loading and entrapment efficiency. Percent yield was also found dependent on the relative drug polymer ratio with highest value of 51 % was achieved for the formulation having same drug to polymer ratio. SEM results confirmed the formation of spherical and porous structures. Structural analysis by Fourier transform infrared spectroscopy (FTIR), powder x-ray diffraction (PXRD) showed the absence of any interaction between drug and polymer. In comparison to pure drug, NS formulations showed a linear intrinsic dissolution rate (IDR) profile depicting a controlled release profile. Diffusion studies of NS formulations performed by Franz diffusion cell and dialysis bag methods showed comparable results in terms of precision and linearity of diffusion profile. Tablets prepared from the drug loaded NS showed acceptable values for hardness, friability and drug content. Release of drug from NS tablets was confirmed as sustained release behaviour.
Źródło:
Acta Poloniae Pharmaceutica - Drug Research; 2018, 75, 5; 1201-1213
0001-6837
2353-5288
Pojawia się w:
Acta Poloniae Pharmaceutica - Drug Research
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Modeling computational studies of modified drug molecules binding to the LRRK2 protein in the treatment of Parkinson’s disease
Autorzy:
Shah, H.
Darsey, J. A.
Powiązania:
https://bibliotekanauki.pl/articles/284742.pdf
Data publikacji:
2018
Wydawca:
Akademia Górniczo-Hutnicza im. Stanisława Staszica w Krakowie. Polskie Towarzystwo Biominerałów
Tematy:
LRRK2 proteins
Parkinson
Computational Modeling
IC50
Density Functional Theory
DFT
Opis:
Parkinson’s disease is a neurodegenerative and progressive disease of the central nervous system. It affects more than 10 million patients worldwide and the symptoms allow for little to no control for movement. These symptoms appear because the chemical messenger dopamine is being made in small quantities from impaired cells. However, the disease often forms when there is a mutation in the LRRK2 gene, as the functions of the protein become abnormal. The IC50 value is essential information about molecules because it measures their effectiveness. The goal of this research was to design molecules with a lower IC50 value. This was first done by modeling molecules on the molecular modeling program, Gaussian 09. Modifications were made to molecules that were said to bind to the LRRK2 protein. Modifications ranged from adding a single atom or replacing atoms with groups. After running these molecules on the program, the total energy was found. Using the equation found from the correlation between 1/IC50 and the total energy, the IC50 value was predicted for each of the modified molecules. Many of the modified molecules portrayed a positive percent difference between the original IC50 value and the new one. This saves both time and money because the molecules with lower IC50 values can be made, preserving the resources. After creating the molecule with a low IC50 value, further experimental procedures can be taken; this is a large step in assisting researchers to reach a potential treatment because it is more efficient.
Źródło:
Engineering of Biomaterials; 2018, 21, 145; 2-7
1429-7248
Pojawia się w:
Engineering of Biomaterials
Dostawca treści:
Biblioteka Nauki
Artykuł

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