Simulation of Small Molecules Permeation Through Polymer Matrix

2016 ◽  
Vol 04 (04) ◽  
pp. 1640018
Author(s):  
Alexandre Fleury ◽  
Xu Li ◽  
Armand Soldera
Keyword(s):  
Experimental Data ◽  
Small Molecules ◽  
New Technologies ◽  
Amorphous Polymer ◽  
Polymer System ◽  
Functional Materials ◽  
Computer Performance ◽  
Specific Protocol ◽  
Specific Permeability ◽  
The Subject

New technologies deeply depend on the ability of chemists to synthesize new functional materials. However, this synthetic step requires great efforts. Moreover, it is very likely that the ensuing compound does not fit the expected properties. With the advent of simulation, associated with the increase in computer performance and efficiency of codes, a screening of the best potential candidates to be synthesized becomes available. Accordingly, getting a polymer with a specific permeability, and also understanding the molecular reasons underlying this process, are some of the assets of molecular simulation. Nevertheless, representation of a material from a molecular perspective is not straightforward. A specific protocol must be established. It takes into account the fact that calculations are carried out on very tiny systems. An accurate depiction and perpetual validations confronting simulated results with experimental data make the protocol relevant. The computation of the penetrants’ diffusion coefficient and solubility is then introduced, in order to reveal the simulation of the permeation of a small molecule through an amorphous polymer system. The paper concludes with the most recent studies on the subject.

Naphthoquinone Derivatives Isolated from Plants: Recent Advances in Biological Activity

2020 ◽  
Vol 20 (19) ◽  
pp. 2019-2035
Author(s):  
Esmaeil Sheikh Ahmadi ◽  
Amir Tajbakhsh ◽  
Milad Iranshahy ◽  
Javad Asili ◽  
Nadine Kretschmer ◽  
...  
Keyword(s):  
Clinical Trials ◽  
Biological Activity ◽  
Small Molecules ◽  
Anticancer Activity ◽  
Clinical Significance ◽  
Phase Ii ◽  
Biological Activities ◽  
Phase Ii Clinical Trials ◽  
Naturally Occurring ◽  
The Subject

Naturally occurring naphthoquinones (NQs) comprising highly reactive small molecules are the subject of increasing attention due to their promising biological activities such as antioxidant, antimicrobial, apoptosis-inducing activities, and especially anticancer activity. Lapachol, lapachone, and napabucasin belong to the NQs and are in phase II clinical trials for the treatment of many cancers. This review aims to provide a comprehensive and updated overview on the biological activities of several new NQs isolated from different species of plants reported from January 2013 to January 2020, their potential therapeutic applications and their clinical significance.

Living with Barren Truths: A Tale of Triumphalism and Tribulations of a Technology

2021 ◽  
pp. 097168582110159
Author(s):  
Sital Mohanty ◽  
Subhasis Sahoo ◽  
Pranay Kumar Swain
Keyword(s):  
Gender Discrimination ◽  
New Technologies ◽  
The Body ◽  
Social Scientists ◽  
Social Fact ◽  
Science Technology ◽  
The Subject ◽  
And Gender ◽  
The Relationship

Science, technology and human values have been the subject of enquiry in the last few years for social scientists and eventually the relationship between science and gender is the subject of an ongoing debate. This is due to the event of globalization which led to the exponential growth of new technologies like assisted reproductive technology (ART). ART, one of the most iconic technological innovations of the twentieth century, has become increasingly a normal social fact of life. Since ART invades multiple human discourses—thereby transforming culture, society and politics—it is important what is sociological about ART as well as what is biological. This article argues in commendation of sociology of technology, which is alert to its democratic potential but does not concurrently conceal the historical and continuing role of technology in legitimizing gender discrimination. The article draws the empirical insights from local articulations (i.e., Odisha state in eastern India) for the understandings of motherhood, freedom and choice, reproductive right and rights over the body to which ART has contributed. Sociologically, the article has been supplemented within the broader perspectives of determinism, compatibilism alongside feminism.

scholarly journals Therapeutic Advances in Oncology

2021 ◽  
Vol 22 (4) ◽  
pp. 2008
Author(s):  
Jinsha Liu ◽  
Priyanka Pandya ◽  
Sepideh Afshar
Keyword(s):  
Small Molecules ◽  
New Technologies ◽  
Treatment Options ◽  
Current Treatment ◽  
Bispecific Antibodies ◽  
Gene Therapies ◽  
Therapeutic Modalities ◽  
The Past ◽  
Drug Conjugates ◽  
Novel Targets

Around 77 new oncology drugs were approved by the FDA in the past five years; however, most cancers remain untreated. Small molecules and antibodies are dominant therapeutic modalities in oncology. Antibody-drug conjugates, bispecific antibodies, peptides, cell, and gene-therapies are emerging to address the unmet patient need. Advancement in the discovery and development platforms, identification of novel targets, and emergence of new technologies have greatly expanded the treatment options for patients. Here, we provide an overview of various therapeutic modalities and the current treatment options in oncology, and an in-depth discussion of the therapeutics in the preclinical stage for the treatment of breast cancer, lung cancer, and multiple myeloma.

scholarly journals High-Resolution Pixel LED Headlamps: Functional Requirement Analysis and Research Progress

2021 ◽  
Vol 11 (8) ◽  
pp. 3368
Author(s):  
Liping Wang ◽  
Jianshe Ma ◽  
Ping Su ◽  
Jianwei Huang
Keyword(s):  
High Resolution ◽  
Functional Diversity ◽  
Traffic Safety ◽  
New Technologies ◽  
Light Distribution ◽  
Research Progress ◽  
Requirement Analysis ◽  
Functional Requirement ◽  
Traffic Conditions ◽  
The Subject

High-resolution pixel LED headlamps are lighting devices that can produce high-resolution light distribution to adapt to road and traffic conditions, intelligently illuminate traffic areas, and assist drivers. Due to the complexity of roads and traffic conditions, the functional diversity of high-resolution pixel LEDs headlamps and traffic safety has come into question and is the subject of in-depth research conducted by car manufacturers and regulators. We summarize the current possible functions of high-resolution pixel LED headlamps and analyze ways in which they could be improved. This paper also discusses the prospect of new technologies in the future.

In Reply: Combinations of Antibiotics

PEDIATRICS ◽  
1960 ◽  
Vol 26 (3) ◽  
pp. 499-499
Author(s):  
Robert J. Haggerty
Keyword(s):  
Experimental Data ◽  
Clinical Data ◽  
Experimental Work ◽  
The Subject ◽  
Antimicrobial Combinations

I am delighted to have Dr. Jawetz again bring to the attention of your readers his definitive work on the subject of antimicrobial combinations. We certainly have no quarrel with the points he reiterates. Our choice of words, "It is not clear why these results are at variance with the experimental data of Jawetz or the clinical data of Lepper and Dowling," was probably unfortunate, for Dr. Jawetz points out why the results did differ from his experimental work.

Modified methodology of computation of admissible continuous currents of plain conductors of overhead transmission lines and catenaries

2021 ◽  
Vol 2 (2) ◽  
pp. 36-43
Author(s):  
Evgeniy P. FIGURNOV ◽  
◽  
Yury I. ZHARKOV ◽  
Valeriy I. KHARCHEVNIKOV ◽  
◽  
...  
Keyword(s):  
Heat Transfer ◽  
Experimental Data ◽  
Transmission Lines ◽  
Power Transmission ◽  
Convection Heat Transfer ◽  
Heating And Cooling ◽  
Continuous Current ◽  
The Subject ◽  
The Common ◽  
Overhead Power Transmission Line

Methodology provided summarizes published, original and foreign theoretic and experimental data on the subject of heating and cooling of standard and shaped conductors of overhead power transmission line and uses those of them which are most affected to fundamental heat-transfer laws. Computation surface area of standard and shaped wire formulas are given. The common formula of convection heat transfer coefficient is provided, based on wind speed and direction, concerning antiicing mode. Parameters of this formula do not coincide with those existing, as they are based on experimental data on standard and shaped conductors but not on round tubes. Formula of computation of heat transfer power under the influence of solar radiation is given. Summarized formula of admissible continuous current computation is given, all the components have detailed description in the article.

scholarly journals Application of descriptive statistics in analysis of experimental data

2008 ◽  
Vol 62 (1-2) ◽  
pp. 85-95
Author(s):  
Milorad Mirilovic ◽  
Ivana Pejin
Keyword(s):  
Experimental Data ◽  
Statistical Analysis ◽  
Standard Deviation ◽  
Arithmetic Mean ◽  
Descriptive Statistics ◽  
Qualitative Investigation ◽  
Scientific Methods ◽  
The Subject ◽  
Variation Interval ◽  
Descriptive Statistical Analysis

Statistics today represent a group of scientific methods for the quantitative and qualitative investigation of variations in mass appearances. In fact, statistics present a group of methods that are used for the accumulation, analysis, presentation and interpretation of data necessary for reaching certain conclusions. Statistical analysis is divided into descriptive statistical analysis and inferential statistics. The values which represent the results of an experiment, and which are the subject of observation of a certain occurrence, are called parameters and they are divided into descriptive and numerical. All numerical parameters are divided into non-continuous and continuous. The graphic presentation of the distribution of frequencies can be by poligon or histogram. The most frequently applied descriptive statistical methods are: arithmetic mean, standard deviation, standard error of arithmetic mean, variation coefficient, and variation interval.

scholarly journals Convolution and deconvolution: two mathematical tools to help performing tests in research and industry

2021 ◽  
Vol 12 ◽  
pp. 6
Author(s):  
Jean-Pierre Fanton
Keyword(s):  
Experimental Data ◽  
Inverse Problem ◽  
Electrical Energy ◽  
Integral Transforms ◽  
Physical Measurement ◽  
Photographic Images ◽  
Test Standards ◽  
Energy Networks ◽  
The Third ◽  
The Subject

The concepts of convolution and deconvolution are well known in the field of physical measurement. In particular, they are of interest in the field of metrology, since they can positively influence the performance of the measurement. Numerous mathematical models and computer developments dedicated to convolution and deconvolution have emerged, enabling a more efficient use of experimental data; this in sectors as different as biology, astronomy, manufacturing and energy industries. The subject finds today a new topicality because it has been made accessible to a large public for applications such as processing photographic images. The purpose of this paper is to take into account some recent evolutions such as the introduction of convolution methods in international test standards. Thus, its first part delivers a few reminders of some associated definitions. They concern linear systems properties, and integral transforms. If convolution, in most cases, does not create major calculation problems, deconvolution on the contrary is an inverse problem, and as such needs more attention. The principles of some of the methods available today are exposed. In the third part, illustrations are given on recent examples of applications, belonging to the domain of electrical energy networks and photographic enhancement.

scholarly journals Glassy Polymers—Diffusion, Sorption, Ageing and Applications

Coatings ◽  
2021 ◽  
Vol 11 (9) ◽  
pp. 1049
Author(s):  
Raj Kumar Arya ◽  
Devyani Thapliyal ◽  
Jyoti Sharma ◽  
George D. Verros
Keyword(s):  
Small Molecules ◽  
Drug Delivery Systems ◽  
Sorption Isotherms ◽  
Glassy Polymers ◽  
Gas Separations ◽  
Fickian Diffusion ◽  
Physical Ageing ◽  
The Past ◽  
The Subject ◽  
And Diffusion

For the past few decades, researchers have been intrigued by glassy polymers, which have applications ranging from gas separations to corrosion protection to drug delivery systems. The techniques employed to examine the sorption and diffusion of small molecules in glassy polymers are the subject of this review. Diffusion models in glassy polymers are regulated by Fickian and non-Fickian diffusion, with non-Fickian diffusion being more prevalent. The characteristics of glassy polymers are determined by sorption isotherms, and different models have been proposed in the literature to explain sorption in glassy polymers over the last few years. This review also includes the applications of glassy polymers. Despite having many applications, current researchers still have difficulty in implementing coating challenges due to issues such as physical ageing, brittleness, etc., which are briefly discussed in the review.

Researching Virtual, Augmented, and Mixed Realities

2020 ◽  
pp. 155-172
Author(s):  
Anthony Head ◽  
Leila Sujir
Keyword(s):  
Virtual Reality ◽  
Research Group ◽  
New Technologies ◽  
Subject Area ◽  
Elastic Space ◽  
The Subject

The chapter explores the development of Elastic 3D Spaces as a research group, its span of inquiry, along with developments to date, using old and new technologies, including stereoscopy and augmented and virtual reality. Elastic 3D Spaces alludes to the space in front of a screen where images appear when using stereo to create 3D, where objects pop out of the screen. The perception of depth stretches if the viewer can move, hence elastic space. The chapter explores art projects whilst positioning the subject area involving both arts and science researchers and explains the topics it covers. Elastic 3D Spaces is interested in comparisons between 3D experiences and stereo 3D experiences from projection to virtual reality.

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