scholarly journals From Electronegativity towards Reactivity—Searching for a Measure of Atomic Reactivity

Molecules ◽  
2021 ◽  
Vol 26 (12) ◽  
pp. 3680
Author(s):  
Sture Nordholm
Keyword(s):  
Conservation Laws ◽  
Strain Energy ◽  
Strain Relaxation ◽  
Ground States ◽  
Ionic Character ◽  
Bond Energies ◽  
Covalent Bonds ◽  
Ground State Degeneracy ◽  
The Stability ◽  
Definition Of

Pauling introduced the concept of electronegativity of an atom which has played an important role in understanding the polarity and ionic character of bonds between atoms. We set out to define a related concept of atomic reactivity in such a way that it can be quantified and used to predict the stability of covalent bonds in molecules. Guided by the early definition of electronegativity by Mulliken in terms of first ionization energies and Pauling in terms of bond energies, we propose corresponding definitions of atomic reactivity. The main goal of clearly distinguishing the inert gas atoms as nonreactive is fulfilled by three different proposed measures of atomic reactivity. The measure likely to be found most useful is based on the bond energies in atomic hydrides, which are related to atomic reactivities by a geometric average. The origin of the atomic reactivity is found in the symmetry of the atomic environment and related conservation laws which are also the origin of the shell structure of atoms and the periodic table. The reactive atoms are characterized by degenerate or nearly degenerate (several states of the same or nearly the same energy) ground states, while the inert atoms have nondegenerate ground states and no near-degeneracies. We show how to extend the use of the Aufbau model of atomic structure to qualitatively describe atomic reactivity in terms of ground state degeneracy. The symmetry and related conservation laws of atomic electron structures produce a strain (energy increase) in the structure, which we estimate by use of the Thomas-Fermi form of DFT implemented approximately with and without the symmetry and conservation constraints. This simplified and approximate analysis indicates that the total strain energy of an atom correlates strongly with the corresponding atomic reactivity measures but antibonding mechanisms prevent full conversion of strain relaxation to bonding.

Postmodern More

Moreana ◽  
2003 ◽  
Vol 40 (Number 153- (1-2) ◽  
pp. 219-239
Author(s):  
Anne Lake Prescott
Keyword(s):  
Human Language ◽  
Thomas More ◽  
The Stability ◽  
Definition Of ◽  
Recent Critic

Thomas More is often called a “humanist,” and rightly so if the word has its usual meaning in scholarship on the Renaissance. “Humanist” has by now acquired so many different and contradictory meanings, however, that it needs to be applied carefully to the likes of More. Many postmodernists tend to use the word, pejoratively, to mean someone who believes in an autonomous self, the stability of words, reason, and the possibility of determinable meanings. Without quite arguing that More was a postmodernist avant la lettre, this essay suggests that he was not a “humanist” who stalks the pages of much recent postmodernist theory and that in fact even while remaining a devout Catholic and sensible lawyer he was quite as aware as any recent critic of the slipperiness of human selves and human language. It is time that literary critics tightened up their definition of “humanist,” especially when writing about the Renaissance.

scholarly journals Influence of study model, baseline catalytic concentrations and analytical system on the stability of serum alanine aminotransferase

2020 ◽  
Vol 1 (2) ◽  
Author(s):  
Josep Miquel Bauça ◽  
Andrea Caballero ◽  
Carolina Gómez ◽  
Débora Martínez-Espartosa ◽  
Isabel García del Pino ◽  
...  
Keyword(s):  
Alanine Aminotransferase ◽  
Experimental Models ◽  
Individual Variability ◽  
Serum Samples ◽  
Multicentric Study ◽  
Different Temperatures ◽  
The Stability ◽  
Analytical System ◽  
Definition Of ◽  
Analytical Platforms

AbstractObjectivesThe stability of the analytes most commonly used in routine clinical practice has been the subject of intensive research, with varying and even conflicting results. Such is the case of alanine aminotransferase (ALT). The purpose of this study was to determine the stability of serum ALT according to different variables.MethodsA multicentric study was conducted in eight laboratories using serum samples with known initial catalytic concentrations of ALT within four different ranges, namely: <50 U/L (<0.83 μkat/L), 50–200 U/L (0.83–3.33 μkat/L), 200–400 U/L (3.33–6.67 μkat/L) and >400 U/L (>6.67 μkat/L). Samples were stored for seven days at two different temperatures using four experimental models and four laboratory analytical platforms. The respective stability equations were calculated by linear regression. A multivariate model was used to assess the influence of different variables.ResultsCatalytic concentrations of ALT decreased gradually over time. Temperature (−4%/day at room temperature vs. −1%/day under refrigeration) and the analytical platform had a significant impact, with Architect (Abbott) showing the greatest instability. Initial catalytic concentrations of ALT only had a slight impact on stability, whereas the experimental model had no impact at all.ConclusionsThe constant decrease in serum ALT is reduced when refrigerated. Scarcely studied variables were found to have a significant impact on ALT stability. This observation, added to a considerable inter-individual variability, makes larger studies necessary for the definition of stability equations.

scholarly journals Reliable Learning with PDE-Based CNNs and DenseNets for Detecting COVID-19, Pneumonia, and Tuberculosis from Chest X-Ray Images

Mathematics ◽  
2021 ◽  
Vol 9 (4) ◽  
pp. 434
Author(s):  
Anca Nicoleta Marginean ◽  
Delia Doris Muntean ◽  
George Adrian Muntean ◽  
Adelina Priscu ◽  
Adrian Groza ◽  
...  
Keyword(s):  
Transfer Learning ◽  
Negative Impact ◽  
X Ray ◽  
Domain Specific ◽  
Direct Training ◽  
Public Data ◽  
Normal Chest ◽  
Chest X Ray ◽  
The Stability ◽  
Definition Of

It has recently been shown that the interpretation by partial differential equations (PDEs) of a class of convolutional neural networks (CNNs) supports definition of architectures such as parabolic and hyperbolic networks. These networks have provable properties regarding the stability against the perturbations of the input features. Aiming for robustness, we tackle the problem of detecting changes in chest X-ray images that may be suggestive of COVID-19 with parabolic and hyperbolic CNNs and with domain-specific transfer learning. To this end, we compile public data on patients diagnosed with COVID-19, pneumonia, and tuberculosis, along with normal chest X-ray images. The negative impact of the small number of COVID-19 images is reduced by applying transfer learning in several ways. For the parabolic and hyperbolic networks, we pretrain the networks on normal and pneumonia images and further use the obtained weights as the initializers for the networks to discriminate between COVID-19, pneumonia, tuberculosis, and normal aspects. For DenseNets, we apply transfer learning twice. First, the ImageNet pretrained weights are used to train on the CheXpert dataset, which includes 14 common radiological observations (e.g., lung opacity, cardiomegaly, fracture, support devices). Then, the weights are used to initialize the network which detects COVID-19 and the three other classes. The resulting networks are compared in terms of how well they adapt to the small number of COVID-19 images. According to our quantitative and qualitative analysis, the resulting networks are more reliable compared to those obtained by direct training on the targeted dataset.

Measurement of Angular Acceleration of a Rigid Body Using Linear Accelerometers

1975 ◽  
Vol 42 (3) ◽  
pp. 552-556 ◽  
Author(s):  
A. J. Padgaonkar ◽  
K. W. Krieger ◽  
A. I. King
Keyword(s):  
Experimental Data ◽  
Rigid Body ◽  
Simple Procedure ◽  
Three Dimensional ◽  
Angular Acceleration ◽  
Theory And Practice ◽  
Body Segments ◽  
Impact Biomechanics ◽  
The Stability ◽  
Definition Of

The computation of angular acceleration of a rigid body from measured linear accelerations is a simple procedure, based on well-known kinematic principles. It can be shown that, in theory, a minimum of six linear accelerometers are required for a complete definition of the kinematics of a rigid body. However, recent attempts in impact biomechanics to determine general three-dimensional motion of body segments were unsuccessful when only six accelerometers were used. This paper demonstrates the cause for this inconsistency between theory and practice and specifies the conditions under which the method fails. In addition, an alternate method based on a special nine-accelerometer configuration is proposed. The stability and superiority of this approach are shown by the use of hypothetical as well as experimental data.

Stability Considerations in Downward Miscible Displacements

1964 ◽  
Vol 4 (04) ◽  
pp. 356-362 ◽  
Author(s):  
J.M. Dumore
Keyword(s):  
Transition Zone ◽  
Viscous Fingering ◽  
Favorable Effect ◽  
Homogeneous Layer ◽  
Oil Viscosity ◽  
Critical Rate ◽  
Miscible Displacements ◽  
Viscous Fingers ◽  
The Stability ◽  
Definition Of

Abstract If, in a vertical, downward miscible displacement, the transition zone between the displacing and displaced fluids is neglected, a criterion for stable displacement can be obtained by considering a small hypothetical protrusion of one of the fluids into the other. This criterion leads to the definition of the well-known critical rate, uc = kg ??/?µ. The consideration is further extended by taking into account the transition zone that develops as a result of diffusion and mixing. A generalization of the previous criterion leads to the definition of another characteristic rate, the stable rate, which in actual miscible drives will be less than the critical rate. In such drives, the entire transition zone is stable at rates less than the stable rate. At rates between the stable and critical rates, the displacement is only partly stable, i.e. part of the transition zone adjacent to the displaced fluid is in an unstable position. From that part of the transition zone viscous fingers will develop. At rates greater than the critical rate the entire displacement is unstable and viscous fingers will develop more strongly. Results of laboratory experiments are in agreement with the expected behavior based on the theoretically deduced stability of the displacement. INTRODUCTION The simplest form of miscible drive in an oil-bearing formation is the injection of a fluid that is completely miscible* with the oil under reservoir conditions. In general, such a fluid, a solvent for example, is less dense and less viscous than the oil present in the formation. If it is injected into a horizontal homogeneous layer, gravitational forces will lead to the formation of a gravity tongue of solvent in the upper part of the layer and the adverse solvent-oil viscosity ratio will cause viscous fingers to develop. If, however, the solvent is injected up-structure into a dipping layer, gravity has a favorable effect, because it tends to keep the less dense solvent up-structure. Tongue formation and viscous fingering are consequently reduced and it is even possible that they will be suppressed completely. Viscous fingering and gravity tonguing are the consequences of the instability of the displacement. A stable displacement cannot result in growing viscous fingers and/or growing gravity tongues. Since large amounts of oil can be bypassed if there is viscous fingering and/or gravity tonguing, the stability of a miscible drive is very important with respect to the recovery efficiency of the drive. The stability is of particular importance in miscible-slug drives, as it determines how quickly the miscible slug between the displaced and displacing fluids will be distorted and broken up, after which the drive is no longer completely miscible. Stability is thus a most important factor in determining the success of a miscible drive, and it is considered that the aspects of stability considered in this paper will make a useful contribution to existing theories. Consideration is given only to vertical downward displacements, in which no gravity tongues can develop and which are therefore simpler than downward displacements in sloping layers.

scholarly journals ANALYSIS OF CYBER RESISTANCE ASSESSMENT METHODS OF CRITICAL INFRASTRUCTURE

2021 ◽  
Vol 12 (4) ◽  
pp. 29-35
Author(s):  
Irina Maltseva ◽  
Yuliya Chernysh ◽  
Viacheslav Ovsiannikov
Keyword(s):  
Law Enforcement ◽  
Critical Infrastructure ◽  
Infrastructure Management ◽  
Automated Control ◽  
Sustainable Operation ◽  
Mode Of Operation ◽  
Common Resource ◽  
The Stability ◽  
Definition Of ◽  
Infrastructure Stability

The availability of critical infrastructure through cyberspace makes national security dependent on the degree of its security. Critical infrastructure is a set of automated management systems, which provide the interaction of information and telecommunications networks that solve problems of public administration, defense, security and law enforcement, and others. The protection of critical infrastructure directly depends on the possession of the relevant structures of new weapons, the degree of its effectiveness, methods of use and means of protection against the same weapons of the enemy. It is necessary to address the issue of effective confrontation in cyberspace. The analysis of problems in the development of methods for assessing the functional stability of critical infrastructure in cyber confrontation requires the definition of basic methods and criteria that can be used in Ukraine to assess the stability of critical infrastructure. Cyber weapons, which carry out destructive information effects, are not weapons in the classical sense, because they do not physically damage the object of attack, but translate its information and automated control systems into a crisis mode of operation. The process of counteraction of two or more parties, in this form, is a cyber confrontation that is realized using a common common resource - the global information space. In the process of critical infrastructure management, cyber confrontation imposes additional requirements to ensure the sustainable operation of critical infrastructure. Stability is an integral property that is inextricably linked to the operating environment. Cyber resilience is an integrated indicator and is determined by cyber reliability, which reflects the ability to perform its tasks in a complex critical infrastructure management system in the context of information destructive influences.

scholarly journals Формирование среды реализации цифровых инициатив сотрудников банка

2019 ◽  
pp. 48-54
Author(s):  
Тарас Гриценко ◽  
Жанна Передера ◽  
Анна Теряева
Keyword(s):  
Banking Sector ◽  
Economic Security ◽  
New Professionals ◽  
Advantages And Disadvantages ◽  
Study Results ◽  
The Matrix ◽  
Banking Business ◽  
The Stability ◽  
Definition Of ◽  
The Impact

В работе рассматривается возможность формирования в банковском секторе среды, в которой сотрудники смогут самостоятельно реализовывать цифровые инициативы для развития компании и самообучения. Обоснована необходимость её наличия. Проведен анализ соответствия поставленной проблемы российским и мировым трендам на основе изучения федеральных программ и оценок рейтинговых агентств. В результате исследования разработан бизнес-процесс реализации цифровых инициатив, про-веден конкурентный анализ его преимуществ и недостатков перед традиционным подходом к обучению. The article discusses the possibility of forming in the banking business an environment in which employees will be able to in-dependently implement digital initiatives for the development of the company and self-learning. The necessity of its presence is grounded. The analysis of compliance of the problem with the trends in Russia and the world based on the study of Federal programs and ratings agencies. To attract new staff with the necessary knowledge, banks have a number of tools - business classes, sponsorship programs, mentoring, hackathons, man-agement fights, case-championships, etc. It has been revealed that new professionals with technical skills can solve complex problems and generate products. But it’s difficult for them to dive into the banking sector, study its features and offer their own solutions to problems. It was also revealed that the company is interested in product results that are practice oriented. Com-bining product results and training is only possible by creating an environment in which they can discuss their ideas, find sup-port and implement them. As a result, a business process for the implementation of digital initiatives has been formed, a competi-tive analysis of its advantages and disadvantages over the tradi-tional approach to training has been conducted. strategies. The leading method of research is the definitions according grouping to the principles of the matrix method. It was revealed that the economic security concept is disclosed using factors freely com-bined into three groups (includes: sustainability, protection of interests, ensuring sovereignty), and the most common definitions are built using words-markers: state, security, advantage, process. One of the main study results is an algorithm for constructing the definition of the economic security concept, which allows to model and refine the definition of the concept based on the initial categories, consider-ing the economic context. The author's definition is also formulated, which reflects the interrelation of such components as the protection of interests, the impact of threats, the stability preservation, inde-pendence, ensuring development, self-adaptation and self-reproduction.

Sign in / Sign up

Export Citation Format

Share Document