scholarly journals Progress in developing Poisson-Boltzmann equation solvers

2013 ◽  
Vol 1 ◽  
pp. 42-62 ◽  
Author(s):  
Chuan Li ◽  
Lin Li ◽  
Marharyta Petukh ◽  
Emil Alexov
Keyword(s):  
Molecular Motors ◽  
Biological Function ◽  
Efficient Solutions ◽  
Poisson Boltzmann ◽  
Photosynthetic Machinery ◽  
Large Systems ◽  
Poisson Boltzmann Equation ◽  
Definition Of ◽  
Specific Definition ◽  
Made In

AbstractThis review outlines the recent progress made in developing more accurate and efficient solutions to model electrostatics in systems comprised of bio-macromolecules and nanoobjects, the last one referring to objects that do not have biological function themselves but nowadays are frequently used in biophysical and medical approaches in conjunction with bio-macromolecules. The problem of modeling macromolecular electrostatics is reviewed from two different angles: as a mathematical task provided the specific definition of the system to be modeled and as a physical problem aiming to better capture the phenomena occurring in the real experiments. In addition, specific attention is paid to methods to extend the capabilities of the existing solvers to model large systems toward applications of calculations of the electrostatic potential and energies in molecular motors, mitochondria complex, photosynthetic machinery and systems involving large nanoobjects.

Upper Extremity Overuse in Instrumentalists

2001 ◽  
Vol 16 (2) ◽  
pp. 66-71
Author(s):  
William J Dawson
Keyword(s):  
Upper Extremity ◽  
Performing Arts ◽  
Surgical Care ◽  
Entire Group ◽  
Performing Arts Medicine ◽  
Inflammatory Conditions ◽  
Definition Of ◽  
High Level ◽  
Specific Definition ◽  
Made In

Upper extremity problems related to overuse continue to plague instrumentalists and remain a staple of performing arts medicine practices. The author reports his 15-year experience with these problems, both music-related and from other causes. The criteria for inclusion include adherence to a specific definition of overuse. The 329 patients reviewed for this series ranged in age from 9 to 89 years and included 48.6% males. Keyboard instruments and strings were the primary instruments of 79.6%. There were 63.7% who were professionals, conservatory or collegiate music students, or dedicated amateurs; these were described as high-level performers. Strains of the muscle–tendon unit and inflammatory conditions were the most common diagnoses made, each comprising about 43% of the total series. Neurologic diagnoses were made in only 6.8% of patients. Music was the cause of problems in 44.7% of the entire group; prevalence rates were higher in females, especially those from ages 10 to 13 years. Making music also was implicated in causing 62.9% of muscle strains, but only 26.3% of inflammatory diagnoses. Treatment generally followed conservative principles; only 10.3% of all overuse-related problems necessitated surgical care, mostly for release of inflamed tendons or compressed nerves in the hand and wrist. The demographics of this group reflect those of a typical hand surgical practice.

Need of Human Rights as a Better Way of Life

Think India ◽  
2019 ◽  
Vol 22 (3) ◽  
pp. 72-83
Author(s):  
Tushar Kadian
Keyword(s):  
Human Rights ◽  
Basic Needs ◽  
Research Paper ◽  
Human Being ◽  
Way Of Life ◽  
Labour Unions ◽  
The People ◽  
The Subject ◽  
Definition Of ◽  
Made In

Actually, basic needs postulates securing of the elementary conditions of existence to every human being. Despite of the practical and theoretical importance of the subject the greatest irony is non- availability of any universal preliminary definition of the concept of basic needs. Moreover, this becomes the reason for unpredictability of various political programmes aiming at providing basic needs to the people. The shift is necessary for development of this or any other conception. No labour reforms could be made in history till labours were treated as objects. Its only after they were started being treating as subjects, labour unions were allowed to represent themselves in strategy formulations that labour reforms could become a reality. The present research paper highlights the basic needs of Human Rights in life.

Examining sharp restart in a Monte Carlo method for the linearized Poisson–Boltzmann equation

2020 ◽  
Vol 26 (3) ◽  
pp. 223-244
Author(s):  
W. John Thrasher ◽  
Michael Mascagni
Keyword(s):  
Monte Carlo ◽  
Free Energy ◽  
Monte Carlo Algorithm ◽  
Significant Bias ◽  
Poisson Boltzmann ◽  
Electrostatic Free Energy ◽  
Poisson Boltzmann Equation ◽  
The Stability ◽  
Potential Methods ◽  
The Individual

AbstractIt has been shown that when using a Monte Carlo algorithm to estimate the electrostatic free energy of a biomolecule in a solution, individual random walks can become entrapped in the geometry. We examine a proposed solution, using a sharp restart during the Walk-on-Subdomains step, in more detail. We show that the point at which this solution introduces significant bias is related to properties intrinsic to the molecule being examined. We also examine two potential methods of generating a sharp restart point and show that they both cause no significant bias in the examined molecules and increase the stability of the run times of the individual walks.

scholarly journals Similar Vertices and Isomorphism Detection for Planar Kinematic Chains Based on Ameliorated Multi-Order Adjacent Vertex Assignment Sequence

2021 ◽  
Vol 34 (1) ◽  
Author(s):  
Liang Sun ◽  
Zhizheng Ye ◽  
Fuwei Lu ◽  
Rongjiang Cui ◽  
Chuanyu Wu
Keyword(s):  
Degree Of Freedom ◽  
Adjacent Vertex ◽  
Topological Graph ◽  
Innovative Design ◽  
Kinematic Chains ◽  
Effectiveness And Efficiency ◽  
Definition Of ◽  
Specific Definition

AbstractIsomorphism detection is fundamental to the synthesis and innovative design of kinematic chains (KCs). The detection can be performed accurately by using the similarity of KCs. However, there are very few works on isomorphism detection based on the properties of similar vertices. In this paper, an ameliorated multi-order adjacent vertex assignment sequence (AMAVS) method is proposed to seek out similar vertices and identify the isomorphism of the planar KCs. First, the specific definition of AMAVS is described. Through the calculation of the AMAVS, the adjacent vertex value sequence reflecting the uniqueness of the topology features is established. Based on the value sequence, all possible similar vertices, corresponding relations, and isomorphism discrimination can be realized. By checking the topological graph of KCs with a different number of links, the effectiveness and efficiency of the proposed method are verified. Finally, the method is employed to implement the similar vertices and isomorphism detection of all the 9-link 2-DOF(degree of freedom) planar KCs.

scholarly journals Monte Carlo methods for linear and non-linear Poisson-Boltzmann equation

2015 ◽  
Vol 48 ◽  
pp. 420-446 ◽  
Author(s):  
Mireille Bossy ◽  
Nicolas Champagnat ◽  
Hélène Leman ◽  
Sylvain Maire ◽  
Laurent Violeau ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Boltzmann Equation ◽  
Monte Carlo Methods ◽  
Non Linear ◽  
Poisson Boltzmann ◽  
Poisson Boltzmann Equation

Defining hormesis: the necessary tool to clarify experimentally the low dose–response relationship

2002 ◽  
Vol 21 (2) ◽  
pp. 103-104 ◽  
Author(s):  
G Carelli ◽  
I Iavicoli
Keyword(s):  
Dose Response ◽  
Low Dose ◽  
Experimental Models ◽  
Assessment Criteria ◽  
Response Relationship ◽  
Dose Response Relationship ◽  
Specific Context ◽  
Definition Of ◽  
Time Specific ◽  
Made In

The authors comment on Calabrese and Baldwin's paper ‘Defining Hormesis’, which, to date, is the first attempt to provide a definition of hormesis that goes beyond the different interpretations of this phenomenon reported in the literature. While appreciating the effort made in this study to place hormesis in a general and at the same time specific context, the authors believe some clarifications are needed as regards the quantitative features of this phenomenon. In this connection, they speculate on whether Calabrese and Baldwin think it appropriate to include hormesis assessment criteria in the document, referring in particular to those reported in a previous paper. The authors share Calabrese and Baldwin's conclusion that future experimental models designed to study hormetic phenomena must necessarily include the time factor, which not only guarantees this phenomenon will be detected, but is also able to detect the specific type of hormesis.

Consent after the House of Lords: Taking and leading astray the Law of Theft

Legal Studies ◽  
1993 ◽  
Vol 13 (3) ◽  
pp. 308-322
Author(s):  
Mitchell C. Davies
Keyword(s):  
Criminal Law ◽  
House Of Lords ◽  
The Law ◽  
Definition Of ◽  
Specific Definition

The objectives of the Criminal Law Revision Committee when drafting the radical reforms proposed by the 1966 Theft Bill were described by a contemporary commentator2 as being: ‘. . . to do away with the more embarrassing and restrictive technicalities of the existing law . . .’In the same place it was observed that the Committee faced a choice between creating a specific definition of the various theft offences and their elements, or one whose generality would allow it to evolve to meet the challenges presented by ever more complex and sophisticated dishonest dealing.

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