Silica-Based Materials as Drug Adsorbents: First Principle Investigation on the Role of Water Microsolvation on Ibuprofen Adsorption

2014 ◽  
Vol 118 (31) ◽  
pp. 5801-5807 ◽  
Author(s):  
Massimo Delle Piane ◽  
Stefano Vaccari ◽  
Marta Corno ◽  
Piero Ugliengo
Keyword(s):  
First Principle

Freedom and Responsibility in Neoplatonist Thought

2020 ◽  
Author(s):  
Ursula Coope
Keyword(s):  
First Principle ◽  
Human Beings ◽  
Human Soul ◽  
The One ◽  
Freedom And Responsibility

The Neoplatonists have a perfectionist view of freedom: an entity is free to the extent that it succeeds in making itself good. Free entities are wholly in control of themselves: they are self-determining, self-constituting, and self-knowing. Neoplatonist philosophers argue that such freedom is only possible for nonbodily things. The human soul is free insofar as it rises above bodily things and engages in intellection, but when it turns its desires to bodily things, it is drawn under the sway of fate and becomes enslaved. This book discusses this notion of freedom, and its relation to questions about responsibility. It explains the important role of notions of self-reflexivity in Neoplatonist accounts of both freedom and responsibility. Part I sets out the puzzles Neoplatonist philosophers face about freedom and responsibility and explains how these puzzles arise from earlier discussions. Part II looks at the metaphysical underpinnings of the Neoplatonist notion of freedom (concentrating especially on the views of Plotinus and Proclus). In what sense (if any) is the ultimate first principle of everything (the One) free? If everything else is under this ultimate first principle, how can anything other than the One be free? What is the connection between freedom and nonbodiliness? Part III looks at questions about responsibility, arising from this perfectionist view of freedom. Why are human beings responsible for their behaviour, in a way that other animals are not? If we are enslaved when we act viciously, how can we be to blame for our vicious actions and choices?

scholarly journals On order and prohibition

2021 ◽  
Author(s):  
Daniël Van Olmen
Keyword(s):  
Present Article ◽  
First Principle ◽  
Linguistic Evidence ◽  
Constituent Order

Abstract The present article examines the claim in the literature that the negative first principle, i.e. the preference for the order negation-verb to verb-negation, is stronger in negative imperatives (or prohibitives) than in negative declaratives. To test this hypothesis, we develop – in contrast to earlier research – a systematic, three-way classification of languages, which is also operationalized as a ranking capturing the overall level of strength of the principle. This classification is applied to a genealogically and geographically balanced sample of 179 languages. In addition, we consider the role of several factors known to correlate with the position of negation – like its form, constituent order and areality. However, no cross-linguistic evidence is found for any difference in negation’s position between negative imperatives and negative declaratives. We therefore conclude that the hypothesis should be rejected.

Computational and experimental investigations on electronic and optical response of oxygenated MoS2

2021 ◽  
Author(s):  
Mubashira Shakeel ◽  
M. Javed Iqbal ◽  
Mammor Iftikhar ◽  
Umer Farooq ◽  
Muhammad Tauseef Qureshi ◽  
...  
Keyword(s):  
Oxygen Content ◽  
Blue Shift ◽  
Visible Range ◽  
Experimental Investigations ◽  
Optical Parameters ◽  
First Principle ◽  
Absorption Phenomenon ◽  
Effect Of Oxygen ◽  
Optical Behavior

Abstract The current study is concerned with the first principle investigations of the oxygenated MoS2 to explore the electronic and optical properties. We consider various oxygen concentrations (MoS2, MoS1.75O0.25, MoS1.5O0.5, MoSO) for the prediction of its impact on parameters using PBE-GGA approximation. A noticeable change in parameters has been observed in the visible regime with the introduction of oxygen content in the MoS2 structure. The results of the electronic properties suggest a string role of Mo d-states, S p-states, and O p-states which, however, show variations for various O concentrations near the Fermi level. In comparison to the absorption trend of pure MoS2, the optical absorption spectra show a blue shift in the visible range. The effect of oxygen can also be seen in the experimentally prepared MoS2 thin films as the variation of optical behavior can be seen. Refractive index decreases from ~2.5 to ~2. Similarly, absorption graphs show a lack of absorption phenomenon as the oxygen content increases. The role of oxygen brings appreciable changes in the optical parameters over the different energy ranges.

scholarly journals Insight into the Role of Water on the Methylation of Hexamethylbenzene in H‐SAPO‐34 from First Principle Molecular Dynamics Simulations

ChemCatChem ◽  
2019 ◽  
Vol 11 (16) ◽  
pp. 3993-4010 ◽  
Author(s):  
Simon Bailleul ◽  
Sven M. J. Rogge ◽  
Louis Vanduyfhuys ◽  
Veronique Van Speybroeck
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
First Principle ◽  
Dynamics Simulations ◽  
Insight Into

The Role of Attention in Designing Effective Interpretive Labels

2000 ◽  
Vol 5 (2) ◽  
pp. 31-45 ◽  
Author(s):  
Stephen Bitgood
Keyword(s):  
Conceptual Framework ◽  
Emotional Arousal ◽  
First Principle ◽  
Limited Capacity ◽  
Over Time ◽  
Research Studies

Processes of attention can provide a conceptual framework for understanding visitor reactions to interpretive labels. In this article, three principles of attention are used to organize what we know about interpretive label design. The first principle, selectivity, suggests that the distinctiveness or salience of a label or object will influence which of many elements will be given attention. The second principle, motivated focusing, states that motivation is enhanced by minimizing the amount of effort, increasing cognitive-emotional arousal and minimizing distractions. The last principle, limited capacity, proposes that the resources of attention have a limited capacity and are depleted over time with effort expended. Findings of research studies and specific principles (e.g., an isolated object receives more attention than an object embedded in dense stimuli) are described within this conceptual framework.

First principle characterization of graphene shielding of the late transition metals: The role of coverage

2016 ◽  
Vol 30 (10) ◽  
pp. 1650108
Author(s):  
Zahra Vatankhah ◽  
Ali Kazempour
Keyword(s):  
Oxygen Adsorption ◽  
Binding Energies ◽  
Lower Probability ◽  
Graphene Monolayer ◽  
First Principle ◽  
First Principle Calculation ◽  
Late Transition Metals ◽  
Late Transition

Employing the first principle calculation, we investigate oxygen adsorption and incorporation into the subsurface of the graphene-coated Cu(111) considering various oxygen coverages. The obtained binding energies for different configurations reflect the fact that addition of graphene monolayer in both adsorptive and incorporative sites remarkably weakens the nature of binding, thus results in lower probability for oxygen permeation which is sensitive to the coverage. Additionally, comparison of potential averages of different mid-layer and over-layer graphene configurations confirms that graphene coating strongly increases the corrosion resistance of Cu surface in good agreement with available electrochemical measurements. Our results might be generalized and validated to designing new anti-corrosion coatings for other transition metal surfaces.

scholarly journals ANALISA RUH PENDIDIKAN KARAKTER DALAM PENDIDIKAN NASIONAL (UNDANG-UNDANG 2003)

2016 ◽  
Vol 1 (1) ◽  
pp. 90
Author(s):  
Syahrul Akmal Latif ◽  
Yusri Herman
Keyword(s):  
Immanuel Kant ◽  
Character Education ◽  
Moral Education ◽  
First Principle ◽  
National Unity ◽  
National Education ◽  
Education Act ◽  
The Government ◽  
The Individual

The issue of education is never over to talk about because education is one measurement of a person's individual accomplishments and achievements systematically nation. The high education of human resources will give a lot of useful works for the individual and social. Unfortunately, the education that was developed based on this character only strengthen individual and social, it’s beyond the divine value . It is due to the historical roots of the character education by Immanuel Kant (1724-1804) and Charles Renouvier (1815-1857); Religious morality in the low education and August Comter (1798- 1857); secular morality. Renouvier said the weakness of youth responsibility, loss of justice equality, respect and others. The process of character education is faced with the application of secularization. Such as, in France Francois Camille Jules Ferry (1832-1893) , a French Education minister said; Moral education is important but explicitely teaching morality does not needed. The development of character education in America is very dynamic. It’s started from 19th century (1900-1950) until 1997.It’s established nationally. Finally, Thomas lichona explained the entire role of religion in the education of character with seven steps and the role of teachers in character education. Thus, the author conducted religious analysis which widely spread among society is that the teaching of Protestant religious. But, It successfully gives individual and social value as character education. On the contrary, the goal of our national educational in 1945 (Version amendment) Article 31, paragraph 3 states: The Government shall manage and organize a national education system. Which increases the Faith and piety as well as noble character in order to educate the nation that adopted by law. Article 31, paragraph 5, states that the government advances science and technology to uphold the values of religious and national unity for the progress of civilization and prosperity of mankind. Likewise, the purpose of philosophy Nasionsl Education Act No. 20 of 2003. The 1945 Constitution and the Law N0 20 of 2003. Strongly reflects the value of belief in one God as the first principle of Pancasila as the first principle says it is an acknowledgment that in developing the nation's education should not be separated from human relations and slave relationship with God the creator.  

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