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Wyświetlanie 1-15 z 17
Tytuł:
Modified Integrated Nuclear Model for the Binding Energy of Finite Nuclei
Autorzy:
Cherop, Hezekiah K.
Khanna, Kapil M.
Powiązania:
https://bibliotekanauki.pl/articles/1031026.pdf
Data publikacji:
2020
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
Nuclear model
binding energy
binding fraction
nuclei
Opis:
A modified integrated nuclear model (MINM) for calculating the binding energies of finite nuclei is proposed. The model is an improvement of the integrated nuclear model (INM) that was formulated based on the theory of quantum chromodynamics. MINM is a simple model that depends on the proton and neutron numbers, and a variable stability coefficient factor denoted by λ. The variable λ rectifies the inequality in the neutron to proton ratio that results from the increase in the size of the nucleus. The results of the binding fraction obtained from MINM were compared with the existing experimental data obtained from atomic mass evaluation tables, AME2016. It was found that, the root mean square deviation for the binding fractions obtained from MINM is 0.2267 MeV with respect to the experimental data, while the root mean square deviation for the binding fraction obtained from INM is 1.5801 MeV. The root mean square deviation for MINM is very small. This supports the validity of the MINM and the consequent accuracy in the values of the binding fraction for different nuclei, especially in the region whereby A>220.
Źródło:
World Scientific News; 2020, 149; 36-51
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Interactions between osmium atoms dissolved in iron observed by the 57Fe Mössbauer spectroscopy
Autorzy:
Konieczny, R.
Idczak, R.
Chojcan, J.
Powiązania:
https://bibliotekanauki.pl/articles/148144.pdf
Data publikacji:
2015
Wydawca:
Instytut Chemii i Techniki Jądrowej
Tematy:
binding energy
enthalpy of solution
iron alloys
Mössbauer spectroscopy
Opis:
The room temperature 57Fe Mössbauer spectra for binary iron-based solid solutions Fe1−xOsx, with x in the range 0.01 ≤ x ≤ 0.05, were analyzed in terms of binding energy Eb between two Os atoms in the Fe-Os system. The extrapolated values of Eb for x = 0 were used for computation of enthalpy of solution of osmium in iron. The result was compared with that resulting from the cellular atomic model of alloys by Miedema. The comparison shows that our fi ndings are in qualitative agreement with the Miedema’s model predictions.
Źródło:
Nukleonika; 2015, 60, 1; 75-79
0029-5922
1508-5791
Pojawia się w:
Nukleonika
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Modified Phenomenological Formula for the Ground State Energy of Light Nuclei
Autorzy:
Chemogos, P. K.
Muguro, K. M.
Khanna, K. M.
Powiązania:
https://bibliotekanauki.pl/articles/1046531.pdf
Data publikacji:
2019
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
binding energy
ground state energy
isotopes
light nuclei
liquid drop model
Opis:
A modified phenomenological formula for the ground state binding energy in the region of light nuclei is proposed. Since binding energy is proportional to the volume of a nuclide, the new formula contains a volume term proportional to the mass number A and expresses asymmetry energy and coulomb repulsion energy between protons in a much simpler form than the way it is presented in the liquid drop model. The formula is used to calculate nuclear binding energy using three terms only, namely mass number A, neutron number, N and atomic number, Z. The correspondence with the conventional Liquid drop model and with the experimental results is highly satisfactory for light nuclei. Considering a set of 60 light nuclei for A≤55, the formula yields root mean square deviation of 0.541 MeV, with respect to experimental values. This is better than conventional Liquid drop model which gives a root mean square deviation of 3.485 MeV over the same range of nuclei. The value of f is comparatively smaller for even-odd nuclei when compared to the corresponding even-even nuclei. Thus even-even nuclei are more strongly bound than odd-odd or even-odd nuclei making them more stable.
Źródło:
World Scientific News; 2019, 136; 148-158
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Encapsulation of l-menthol in hydroxypropyl-β-cyclodextrin and release characteristics of the inclusion complex
Autorzy:
Zhu, G.
Xiao, Z.
Zhou, R.
Niu, Y.
Powiązania:
https://bibliotekanauki.pl/articles/778623.pdf
Data publikacji:
2016
Wydawca:
Zachodniopomorski Uniwersytet Technologiczny w Szczecinie. Wydawnictwo Uczelniane ZUT w Szczecinie
Tematy:
l-menthol
inclusion complex
release characteristics
binding energy
release kinetics
Opis:
l-menthol has been widely used in flavour, food and pharmaceuticals. Because of its high volatility and whisker growth, l-menthol-hydroxypropyl-β-cyclodextrin inclusion complex was produced to improve shelf-life, provide protection, and enhance the stability of l-menthol. The inclusion complex was characterized by Fourier transform infrared spectroscopy, X-ray diffraction. The results show that l-menthol was successfully encapsulated in hydroxypropyl-β-cyclodextrin. l-menthol loading capacity is about 8.44%. Geometries and binding energies of l-menthol-hydroxypropyl-β-cyclodextrin inclusion complexes were investigated using molecular mechanics calculations. The shape and orientation of the most stable complex, and the minimum binding energy were determined. L-menthol release from complex was determined by thermogravimetric analysis. Two l-menthol release rate peaks were observed at 69.3 and 279.1°C. The l-menthol release reaction order, release activation energy and the preexponential factor were obtained.
Źródło:
Polish Journal of Chemical Technology; 2016, 18, 3; 110-116
1509-8117
1899-4741
Pojawia się w:
Polish Journal of Chemical Technology
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
DESIGN, SYNTHESIS AND BIOLOGICAL ESTIMATION OF INNOVATIVE PYRAZOLES AS ANTICANCER AGENTS TARGETING CDK2
Autorzy:
Ibrahim, Diaa A.
Radini, Ibrahim A.
KHIDRE, Rizk E.
Powiązania:
https://bibliotekanauki.pl/articles/895649.pdf
Data publikacji:
2019-06-28
Wydawca:
Polskie Towarzystwo Farmaceutyczne
Tematy:
Pharmacophore
binding energy
pyrazoles
anti-proliferative activity
CDK2 inhibitors
Docking study
Opis:
CDK2, which exhibits an indispensable role as an organizer of cell growth, is the powerfully studied protein Kinases objective of anticancer suppressors. The present study was dedicated to design (pharmacophore, docking, and binding energy) and to prepare an inspired derivatives of pyrazole and pyrazolo[1,5-d]pyrimidine as promising anticancer agents, which can act by targeting CDK2. The promising compounds were selected according to their fit-value and binding energy scores. The anticancer activity against MCF-7 was tested for the prepared compounds and compounds 2, 3b, and 7b showed expressive activity with IC50 1.75, 0.89 and 1.32 µM respectively. The CDK2 evaluation was carried out to estimate the efficiency of the prepared compounds as promising inhibitors. The results revealed that compound 3b with effective inhibitory activity against tumor growth and with its potent inhibition against the CDK2 enzyme with percent inhibition 86 would be a prospective anticancer agent. The prepared compounds with high biological activity could be used as lead inhibitors for the CDK2 kinase domain.
Źródło:
Acta Poloniae Pharmaceutica - Drug Research; 2019, 76, 3; 453-468
0001-6837
2353-5288
Pojawia się w:
Acta Poloniae Pharmaceutica - Drug Research
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Excitonic quasimolecule consisting of two semiconductor quantum dots
Autorzy:
Pokutnyi, S.I.
Salejda, W.
Powiązania:
https://bibliotekanauki.pl/articles/173809.pdf
Data publikacji:
2016
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
spatially separated electron and holes
quantum dots
binding energy
Coulomb and exchange interaction
Opis:
The effect of a significant increase in the binding energy of the singlet ground state of an excitonic quasimolecule consisting of two CdS quantum dots, in comparison with the binding energy of a biexciton in a single crystal of CdS (almost by two orders of magnitude), has been found.
Źródło:
Optica Applicata; 2016, 46, 4; 629-637
0078-5466
1899-7015
Pojawia się w:
Optica Applicata
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Strong and Weak Interactions in Ghahramany’s Integrated Nuclear Binding Energy Formula
Autorzy:
Seshavatharam, U. V. S.
Lakshminarayana, S.
Powiązania:
https://bibliotekanauki.pl/articles/1839395.pdf
Data publikacji:
2021
Wydawca:
Przedsiębiorstwo Wydawnictw Naukowych Darwin / Scientific Publishing House DARWIN
Tematy:
Strong interaction
Electroweak interaction
Ghahramany’s integrated nuclear binding energy formula
Nuclear drip lines
Opis:
By modifying Ghahramany’s integrated nuclear binding energy formula with strong and weak interaction features, it is possible to approximate nuclear binding energy of isotopes with one unique energy coefficient and four terms. Considering even-odd corrections, shell corrections and other microscopic corrections, it seems possible to improve the accuracy. Based on our recent work and the proposed formulae, we are very confident to say that, quark structure helps in increasing nuclear binding energy and electroweak interaction helps in reducing nuclear binding energy.
Źródło:
World Scientific News; 2021, 161; 111-129
2392-2192
Pojawia się w:
World Scientific News
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Thermodynamic properties of dilute Co-Fe solid solutions studied by 57Fe Mössbauer spectroscopy
Autorzy:
Konieczny, R.
Idczak, R.
Powiązania:
https://bibliotekanauki.pl/articles/146524.pdf
Data publikacji:
2017
Wydawca:
Instytut Chemii i Techniki Jądrowej
Tematy:
Mössbauer spectroscopy
binding energy
short-range order
enthalpy of solution
enthalpy of mixing
binary alloys
Opis:
The Co1–xFex alloys where x ranges from 0.01 to 0.06 were measured at room temperature using transmission Mössbauer spectroscopy (TMS). The analysis of the obtained data allowed the determination of the short-range order (SRO), the binding energy Eb between two iron atoms in the studied materials using the extended Hrynkiewicz-Królas idea and the enthalpy of solution HCo-Fe of Fe in Co. The results showed that the Fe atoms dissolved in a Co matrix interact repulsively and the estimated value of HCo-Fe = –0.166(33) eV/atom. Finally, values of the enthalpy of solution were used to predict the enthalpy of mixing for the Co-Fe system. These findings were compared with corresponding data given in the literature, which were derived from calorimetric experiments and from the cellular atomic model of alloys described by Miedema.
Źródło:
Nukleonika; 2017, 62, 2; 109-115
0029-5922
1508-5791
Pojawia się w:
Nukleonika
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Study of depth chemical composition changes by the means of XPS/ESCA
Badanie zmian składu chemicznego materiałów za pomocą techniki XPS/ESCA
Autorzy:
Bednarska, A.
Powiązania:
https://bibliotekanauki.pl/articles/258019.pdf
Data publikacji:
2013
Wydawca:
Sieć Badawcza Łukasiewicz - Instytut Technologii Eksploatacji - Państwowy Instytut Badawczy
Tematy:
XPS
binding energy
XPS spectrum
sputtering
concentration of elements
energia wiązania
widmo XPS
stężenie pierwiastków
Opis:
X-ray photoelectron spectroscopy (XPS) is a dedicated surface characterisation spectroscopy. It reveals which chemical elements are present at the surface, it informs us about the chemical bound nature which exists between these elements. An appropriate data processing leads to the specimen elemental composition. A sample of steel disc was prepared by ball on disc tribology test. The test was conducted in the presence of lubricant containing fluoride. The surface of steel disc was examined by means of XPS technique, and its chemical composition was determined accordingly to location of photoelectron peaks on the binding energy axis on XPS spectra. Depth profiling after 9 sputtering cycles was also conducted.
Rentgenowska spektroskopia fotoelektronowa jest techniką analizy powierzchni. Polega na analizie rozkładu energii kinetycznej fotoelektronów emitowanych w wyniku wzbudzenia próbki charakterystycznym promieniowaniem rentgenowskim. Pozwala na uzyskanie informacji o obecnych pierwiastkach oraz o wzajemnej relacji poszczególnych wiązań chemicznych. Do badania wykorzystano stalową próbkę w postaci dysku po tribologicznym teście ball-on-disc, który został przeprowadzony w środowisku smaru zawierającego związki fluoru. Powierzchnia stalowego dysku została przebadana za pomocą techniki XPS, a skład chemiczny został ustalony na podstawie położenia pików fotoelektronowych na osi energii wiązania na widmach XPS. Przeprowadzono również analizę wgłębną po 9 cyklach sputteringu za pomocą jonów Ar+.
Źródło:
Problemy Eksploatacji; 2013, 3; 169-179
1232-9312
Pojawia się w:
Problemy Eksploatacji
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Key factors governing fibril formation of proteins: insights from simulations and experiments
Autorzy:
Co, N. T.
Viet, M. H.
Truong, P. M.
Kouza, M.
Li, M. S.
Powiązania:
https://bibliotekanauki.pl/articles/1954243.pdf
Data publikacji:
2022-02-01
Wydawca:
Politechnika Gdańska
Tematy:
tworzenie włókienek
swobodna energia wiązania
fibre formation
binding free energy
Opis:
Fibril formation of proteins and peptides is associated with a large group of major human diseases, including Alzheimer’s disease, prion disorders, amyotrophic lateral sclerosis, type 2 diabetes, etc. Therefore, understanding the key factors that govern this process is of paramount importance. The fibrillogenesis of polypeptide chains depends on their intrinsic properties as well as on the external conditions. In this mini-review we discuss the relationship between fibril formation kinetics and the sequence, aromaticity, hydrophobicity, charge and population of the so called fibril-prone conformation in a monomer state. The higher the population, the faster is the fibril elongation and this dependence may be described by a single exponential function. This observation opens up a new way to understand the fibrillogenesis of bio-molecules at the monomer level. We will also discuss the influence of the environment with focus on the recently observed dual effect of crowders on the aggregation rat es of polypeptide chains.
Źródło:
TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 2014, 18, 3; 245--254
1428-6394
Pojawia się w:
TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Morphological analysis of organo-montmorillonites via MD simulations
Autorzy:
Karataş, Deniz
Tekin, Adem
Can, Muhammed F.
Xu, Zhenghe
Çelik, Mehmet S.
Powiązania:
https://bibliotekanauki.pl/articles/2146936.pdf
Data publikacji:
2022
Wydawca:
Politechnika Wrocławska. Oficyna Wydawnicza Politechniki Wrocławskiej
Tematy:
organo-montmorillonite
tetradecyl dimethyl ethyl benzyl ammonium chloride
molecular dynamics simulation
cation exchange capacity
binding energy
Opis:
Adsorption on clay surfaces has been studied intensively in recent years. The most curious subject of these studies, which are generally experimental, is how the surfactants are adsorbed at the atomic level to the surface. In this study, the adsorption of quaternary amine salt (tetradecyl dimethyl ethyl benzyl ammonium chloride–TDEBAC) to sodium montmorillonite (Na-MMT) with various cation exchange capacities (CEC) was investigated by using Molecular Dynamics (MD) simulation. In the simulations, as in the experimental studies, it was revealed that the surfactants were both adsorbed on to basal surfaces and settled between the layers. From the morphological analysis obtained from MD simulations, it was calculated that the inter-molecular interaction between the layers was higher than on the basal surface. For example, for the model with 118 CEC motif, the binding energy of all three surfactants in the models with the hydrophilic heads facing the same direction was calculated as -678.18 kcal/mol at the basal surface, while this value was found to be -688.90 kcal/mol in the interlayer. The more striking result is that in the simulations made by turning the head of the middle one of the three surfactants towards the tails of the right and left ones, only -34.86 kcal/mol binding energy was calculated on the basal surface, while this value was -525.63 kcal/mol in the interlayer. As compared middle reversed surfactant models with the same direction ones, despite increased CEC the intermolecular interaction decreased for the basal surface, but the interaction increased between the layers.
Źródło:
Physicochemical Problems of Mineral Processing; 2022, 58, 5; art. no. 152499
1643-1049
2084-4735
Pojawia się w:
Physicochemical Problems of Mineral Processing
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
A study of thermodynamic properties of dilute Fe-Au alloys by the ⁵⁷Fe Mössbauer spectroscopy
Autorzy:
Konieczny, R.
Idczak, R.
Chojcan, J.
Powiązania:
https://bibliotekanauki.pl/articles/1054974.pdf
Data publikacji:
2017-02
Wydawca:
Polska Akademia Nauk. Instytut Fizyki PAN
Tematy:
Mössbauer spectroscopy
hyperfine parameters
binding energy
short-range order
enthalpy of solution
enthalpy of mixing
binary alloys
Opis:
The room temperature Mössbauer spectra of ⁵⁷Fe were measured for Fe_{1-x}Au_x with the gold concentration ranging from 1 at.% till 4.8 at.%. They were analysed in terms of hyperfine parameters of their components related to unlike surroundings of the iron probes, determined by different numbers of gold atoms existing in the neighbourhood of iron atoms. Basing on the intensities of the spectrum components we determined binding energy E_b between two gold atoms in the studied materials. The latter was done for properly annealed samples using the extended Hrynkiewicz-Królas idea. It was found that the binding energy is positive or Au atoms interact repulsively. The extrapolated value of E_b for x =0 was used for computation of an enthalpy of solution of Au in Fe. Finally the obtained value of the enthalpy was used to predict the mixing enthalpy for the Fe-Au solid solutions. The results were compared with both the corresponding values resulting from the cellular atomic model of alloys by Miedema and those derived from experimental calorimetric data given in the literature.
Źródło:
Acta Physica Polonica A; 2017, 131, 2; 255-258
0587-4246
1898-794X
Pojawia się w:
Acta Physica Polonica A
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Korzyści i zagrożenia wynikające z budowy elektrowni jądrowej w Polsce
Benefits and threats of building a nuclear power plant Poland
Autorzy:
Awsiuk, Romuald
Powiązania:
https://bibliotekanauki.pl/articles/2175457.pdf
Data publikacji:
2021
Wydawca:
STE GROUP
Tematy:
energia wiązania
reaktor jądrowy
odpady promieniotwórcze
elektrownia jądrowa
binding energy
nuclear reactor
radioactive waste
nuclear power plant
Opis:
W poniższym artykule autor porusza kilka zagadnień związanych z energetyką jądrową i elektrowniami jądrowymi. W pierwszej kolejności wyjaśniono zjawisko uwalniania energii jądrowej i jej wykorzystanie w reaktorach energetycznych oraz wskazano zalety energetyki jądrowej. Dodatkowo omówiono problematykę powstawania, składowania i neutralizacji odpadów promieniotwórczych. Następnie krótko scharakteryzowano największe awarie elektrowni jądrowych na świecie i ich skutki, ponieważ awarie te miały silny wpływ na decyzje o zamknięciu lub nawet zaniechaniu budowy takich elektrowni. Jednak wdrożenie nowych rozwiązań w budowie reaktorów jądrowych, opartych na wnioskach z poprzednich awarii, znacznie ogranicza możliwość wystąpienia tego typów awarii w przyszłości. Na koniec autor omawia kwestię budowy elektrowni jądrowych w Polsce, wskazując na fakt eliminacji węgla i gazu z produkcji energii elektrycznej w celu ograniczenia emisji CO2. Konieczność budowy elektrowni jądrowej wynika również z faktu, że energia pozyskiwana z tzw. odnawialnych źródeł energii nie zaspokoi w pełni zapotrzebowania na energię, jednak przed rozpoczęciem jej budowy w Polsce należy rozwiązać kilka problemów.
In this article, the author addresses several issues related to nuclear energy and nuclear power plants. Firstly, the phenomenon of nuclear energy release and its usage in energy reactors is explained as well as the advantages of nuclear energy is pointed. Additionally, the attention to the problem of radioactive waste generation, neutralization and storage is discussed. Next, the largest failures of nuclear power plants and their effects were briefly characterized, since such accidents had a strong impact on decisions to close or even abandon the construction of such power plants. However, the implementation of new solutions in the construction of nuclear reactors, based on the conclusions of previous accidents, significantly reduces the possibility of their occurrence in the future. Finally, the author discuss the issue of construction of nuclear power plants in Poland pointing to the fact of elimination coal and gas from electricity production in order to reduce CO2 emission. This is motivated by the fact that energy obtained from the so-called renewable energy sources will not fully meet the energy demand. However, a few problems should be solved before starting the construction of a nuclear power plant in Poland.
Źródło:
Systemy Wspomagania w Inżynierii Produkcji; 2021, 10, 1; 20--33
2391-9361
Pojawia się w:
Systemy Wspomagania w Inżynierii Produkcji
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Modelowanie właściwosci wiązań wodorowych na przykładzie kompleksów układ amidowy - woda
Modeling the properties of hydrogen bonds : an example of amide - water complex
Autorzy:
Rzepiela, Kacper
Buczek, Aneta
Kupka, Teobald
Kar, Tapas
Broda, Małgorzta A.
Powiązania:
https://bibliotekanauki.pl/articles/27310026.pdf
Data publikacji:
2023
Wydawca:
Polskie Towarzystwo Chemiczne
Tematy:
wiązanie wodorowe
energia oddziaływania
poprawka dyspersyjna Grimme’a
uracyl
wiązanie amidowe
hydrogen bond
binding energy
Grimme D3 dispersion correction
uracil
amide bond
Opis:
The energy and structure of intermolecular hydrogen bonds between water molecule and N-methylamide (NMA) or uracil (U) are discussed on the basis of DFT calculations. Theoretical methods are applied to calculate properties of cis- and trans- NMA complexes with one water molecule. Subsequently, H-bonds in six uracil – water complexes are analyzed. The influence of dispersion interactions and the polar environment on the hydrogen bond energy was analyzed. Results obtained by B3LYP functional with and without Grimme D3 dispersion correction indicate that dispersion interaction plays a significant role in an association process. In addition, the polar solvent reduces the hydrogen bond energy and this reduction is directly proportional to the hydrogen bond energy.
Źródło:
Wiadomości Chemiczne; 2023, 77, 7-8; 629--645
0043-5104
2300-0295
Pojawia się w:
Wiadomości Chemiczne
Dostawca treści:
Biblioteka Nauki
Artykuł
Tytuł:
Obtaining ionic forces by the total-energy tight-binding method
Autorzy:
Dziedzic, J.
Powiązania:
https://bibliotekanauki.pl/articles/1933173.pdf
Data publikacji:
2007
Wydawca:
Politechnika Gdańska
Tematy:
total-energy tight-binding
TBMD
Hellmann-Feynman
ionic forces
molecular dynamics
Opis:
Applying a non-orthogonal tight-binding method to calculate ionic forces in a molecular-dynamics simulation vastly improves the transferability the model's transferability to different environments, compared with the tradi-tional empirical potential-driven molecular-dynamics. In this paper we present the details of computing derivatives of Hamiltonian and overlap matrix elements appearing in the Hellmann-Feynman expression for ionic forces in the NRL-TB model of tight-binding. The presented expressions are validated with the results obtained using a tight-binding-driven molecular-dynamics program.
Źródło:
TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk; 2007, 11, 3; 285-294
1428-6394
Pojawia się w:
TASK Quarterly. Scientific Bulletin of Academic Computer Centre in Gdansk
Dostawca treści:
Biblioteka Nauki
Artykuł
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