The Chemical Structure Association Trust

2016 ◽  
Vol 38 (2) ◽  
Author(s):  
Bonnie Lawlor
Keyword(s):  
Chemical Structure ◽  
Scientific Discovery ◽  
Research Work ◽  
50Th Anniversary ◽  
The United States ◽  
Chemical Information ◽  
Structure Information ◽  
Chemical Structures ◽  
Grant Program ◽  
Structure Association

AbstractThe Chemical Structure Association Trust (CSA Trust) is an internationally-recognized, registered charity that promotes and supports the advancement of scientific discovery through the application of computer technologies in the management and analysis of chemical structure information. In support of its Charter, the Trust provides grants specifically to nurture young scientists, ages thirty-five or younger, who have demonstrated excellence in research related to the storage, retrieval, and analysis of chemical structures, reactions, and compounds. Since its inception in 1988, almost one hundred students and researchers worldwide have benefited from travel bursaries and the CSA Trust Grant Program to further their education and research work, but the organization has a rich history that predates the formalization of its charity status. Its roots were planted half a century ago in 1965, when the Chemical Notation Association (CNA) was formed in the United States. It has been an interesting journey from the CNA to the CSA Trust and I have been blessed to have been a part of it almost from the beginning, along with other members of the American Chemical Society’s Division of Chemical Information. In honor of the organization’s 50th Anniversary, I’d like to give a brief overview of its past and its present activities.

scholarly journals A novel ensemble based recommendation approach using network based analysis for identification of effective drugs for Tuberculosis

2021 ◽  
Vol 19 (1) ◽  
pp. 873-891
Author(s):  
Rishin Haldar ◽  
◽  
Swathi Jamjala Narayanan
Keyword(s):  
Chemical Structure ◽  
Research Work ◽  
Computational Techniques ◽  
Chemical Structures ◽  
Pharmacokinetic Properties ◽  
Resistant Strains ◽  
Drug Resistant Strains ◽  
Effective Drugs ◽  
Ranking Technique ◽  
Initial List

<abstract> <p>Tuberculosis (TB) is a fatal infectious disease which affected millions of people worldwide for many decades and now with mutating drug resistant strains, it poses bigger challenges in treatment of the patients. Computational techniques might play a crucial role in rapidly developing new or modified anti-tuberculosis drugs which can tackle these mutating strains of TB. This research work applied a computational approach to generate a unique recommendation list of possible TB drugs as an alternate to a popular drug, EMB, by first securing an initial list of drugs from a popular online database, PubChem, and thereafter applying an ensemble of ranking mechanisms. As a novelty, both the pharmacokinetic properties and some network based attributes of the chemical structure of the drugs are considered for generating separate recommendation lists. The work also provides customized modifications on a popular and traditional ensemble ranking technique to cater to the specific dataset and requirements. The final recommendation list provides established chemical structures along with their ranks, which could be used as alternatives to EMB. It is believed that the incorporation of both pharmacokinetic and network based properties in the ensemble ranking process added to the effectiveness and relevance of the final recommendation.</p> </abstract>

scholarly journals A Novel Ensemble Based Recommendation Approach using Network Based Analysis for Identification of Effective Drugs for Tuberculosis

2021 ◽  
Author(s):  
Rishin Haldar ◽  
Swathi Jamjala Narayanan
Keyword(s):  
Chemical Structure ◽  
Research Work ◽  
Computational Techniques ◽  
Chemical Structures ◽  
Pharmacokinetic Properties ◽  
Resistant Strains ◽  
Drug Resistant Strains ◽  
Effective Drugs ◽  
Ranking Technique ◽  
Initial List

Abstract Tuberculosis (TB) is a fatal infectious disease which affected millions of people worldwide for many decades and now with mutating drug resistant strains, it poses bigger challenges in treatment of the patients. Computational techniques might play a crucial role in rapidly developing new or modified anti-tuberculosis drugs which can tackle these mutating strains of TB. This research work applied a computational approach to generate a unique recommendation list of possible TB drugs as an alternate to a popular drug, EMB, by first securing an initial list of drugs from a popular online database, PubChem, and thereafter applying an ensemble of ranking mechanisms. As a novelty, both the pharmacokinetic properties and some network based attributes of the chemical structure of the drugs are considered for generating separate recommendation lists. The work also provides customized modifications on a popular and traditional ensemble ranking technique to cater to the specific dataset and requirements. The final recommendation list provides established chemical structures along with their ranks, which could be used as alternatives to EMB. It is believed that the incorporation of both pharmacokinetic and network based properties in the ensemble ranking process added to the effectiveness and relevance of the final recommendation.

scholarly journals FAIR chemical structures in the Journal of Cheminformatics

2021 ◽  
Vol 13 (1) ◽  
Author(s):  
Emma L. Schymanski ◽  
Evan E. Bolton
Keyword(s):  
Chemical Structure ◽  
Structural Information ◽  
Data File ◽  
Chemical Information ◽  
File Format ◽  
Chemical Structures ◽  
Scientific Disciplines ◽  
The Way

AbstractThe ability to access chemical information openly is an essential part of many scientific disciplines. The Journal of Cheminformatics is leading the way for rigorous, open cheminformatics in many ways, but there remains room for improvement in primary areas. This letter discusses how both authors and the journal alike can help increase the FAIRness (Findability, Accessibility, Interoperability, Reusability) of the chemical structural information in the journal. A proposed chemical structure template can serve as an interoperable Additional File format (already accessible), made more findable by linking the DOI of this data file to the article DOI metadata, supporting further reuse.

Chemical structure of diamond-like carbon thin films

1990 ◽  
Vol 48 (4) ◽  
pp. 710-711
Author(s):  
N.-H. Cho ◽  
K.M. Krishnan ◽  
D.B. Bogy
Keyword(s):  
Electrical Resistivity ◽  
Chemical Structure ◽  
Diamond Like Carbon ◽  
Chemical Structures ◽  
Sputtering Power ◽  
Data Aquisition ◽  
Equilibrium Phases ◽  
Electron Energy Loss ◽  
Power Densities ◽  
Preparation Techniques

Diamond-like carbon (DLC) films have attracted much attention due to their useful properties and applications. These properties are quite variable depending on film preparation techniques and conditions, DLC is a metastable state formed from highly non-equilibrium phases during the condensation of ionized particles. The nature of the films is therefore strongly dependent on their particular chemical structures. In this study, electron energy loss spectroscopy (EELS) was used to investigate how the chemical bonding configurations of DLC films vary as a function of sputtering power densities. The electrical resistivity of the films was determined, and related to their chemical structure.DLC films with a thickness of about 300Å were prepared at 0.1, 1.1, 2.1, and 10.0 watts/cm2, respectively, on NaCl substrates by d.c. magnetron sputtering. EEL spectra were obtained from diamond, graphite, and the films using a JEOL 200 CX electron microscope operating at 200 kV. A Gatan parallel EEL spectrometer and a Kevex data aquisition system were used to analyze the energy distribution of transmitted electrons. The electrical resistivity of the films was measured by the four point probe method.

scholarly journals A Further Comprehensive Review on the Phytoconstituents from the Genus Erythrina

2020 ◽  
Vol 23 (1) ◽  
pp. 65-77 ◽  
Author(s):  
Mohammad Musarraf Hussain
Keyword(s):  
Chemical Structure ◽  
Biological Activities ◽  
Chemical Constituents ◽  
Pharmaceutical Journal ◽  
Significant Source ◽  
Comprehensive Review ◽  
Chemical Structures ◽  
Previous Review

Erythrina is a significant source of phytoconstituents. The aim of this review is to solicitude of classification, synthesis, and phytochemicals with biological activities of Erythrina. In our previous review on this genus (Hussain et. al., 2016a) fifteen species (Erythrina addisoniae, E. caribeae, E. indica, E. lattisima, E. melanacantha, E. mildbraedii, E. poeppigiama, E. stricta, E. subumbrans, E. veriagata, E. vespertilio, E. velutina, E. zeberi, E. zeyheri and E. americana) have been studied and 155 molecules with chemical structures were reported. A further comprehensive review was done upon continuation on the same genus and thirteen species (E. abyssinica, E. arborescens, E. berteroana, E. burttii, E. caffra, E. coralloids, E. crista-galli, E. fusca, E. herbaceae, E. lysistemon, E. mulungu, E. speciosa and E. tahitensis) of Erythrina have been studied and 127 compounds are reported as phytoconstituents with their chemical structure in this review. Erythrina crista-galli and E. lysistemon consist of highest number of chemical constituents. Bangladesh Pharmaceutical Journal 23(1): 65-77, 2020

scholarly journals A Bibliometric Analysis of the Global Trend of Using Alginate, Gelatine, and Hydroxyapatite for Bone Tissue Regeneration Applications

Polymers ◽  
2021 ◽  
Vol 13 (4) ◽  
pp. 647
Author(s):  
Mohamed Saiful Firdaus Hussin ◽  
Aludin Mohd Serah ◽  
Khairul Azri Azlan ◽  
Hasan Zuhudi Abdullah ◽  
Maizlinda Izwana Idris ◽  
...  
Keyword(s):  
Tissue Engineering ◽  
Bone Tissue Engineering ◽  
Bone Tissue ◽  
Bibliometric Analysis ◽  
Research Work ◽  
The United States ◽  
Research Area ◽  
Bone Tissue Regeneration ◽  
Future Research ◽  
Starting Point

Collecting information from previous investigations and expressing it in a scientometrics study can be a priceless guide to getting a complete overview of a specific research area. The aim of this study is to explore the interrelated connection between alginate, gelatine, and hydroxyapatite within the scope of bone tissue and scaffold. A review of traditional literature with data mining procedures using bibliometric analyses was considered to identify the evolution of the selected research area between 2009 and 2019. Bibliometric methods and knowledge visualization technologies were implemented to investigate diverse publications based on the following indicators: year of publication, document type, language, country, institution, author, journal, keyword, and number of citations. An analysis using a bibliometric study found that 7446 papers were located with the keywords “bone tissue” and “scaffold”, and 1767 (alginate), 185 (gelatine), 5658 (hydroxyapatite) papers with those specific sub keywords. The number of publications that relate to “tissue engineering” and bone more than doubled between 2009 (1352) and 2019 (2839). China, the United States and India are the most productive countries, while Sichuan University and the Chinese Academy of Science from China are the most important institutions related to bone tissue scaffold. Materials Science and Engineering C is the most productive journal, followed by the Journal of Biomedical Materials Research Part A. This paper is a starting point, providing the first bibliometric analysis study of bone tissue and scaffold considering alginate, gelatine and hydroxyapatite. A bibliometric analysis would greatly assist in giving a scientific insight to support desired future research work, not only associated with bone tissue engineering applications. It is expected that the analysis of alginate, gelatine and hydroxyapatite in terms of 3D bioprinting, clinical outcomes, scaffold architecture, and the regenerative medicine approach will enhance the research into bone tissue engineering in the near future. Continued studies into these research fields are highly recommended.

United States Army Research Institute of Environmental Medicine: Warfighter research focusing on the past 25 years

2011 ◽  
Vol 35 (4) ◽  
pp. 353-360 ◽  
Author(s):  
Kent B. Pandolf ◽  
Ralph Francesconi ◽  
Michael N. Sawka ◽  
Allen Cymerman ◽  
Reed W. Hoyt ◽  
...  
Keyword(s):  
United States ◽  
Environmental Medicine ◽  
High Altitude ◽  
United States Army ◽  
50Th Anniversary ◽  
The United States ◽  
The Past ◽  
Army Research Institute ◽  
Efficient Planning ◽  
Research Institute

The United States Army Research Institute of Environmental Medicine (USARIEM) celebrated its 50th anniversary on July 1, 2011. This article reviews its history, evolution, and transition of its research programs as well as its scientific and military accomplishments, emphasizing the past 25 yr. During the 1990s, USARIEM published a series of pocket guides providing guidance for sustaining Warfighter health and performance in Southwest Asia, Somalia, the former Republic of Yugoslavia, Rwanda, and Haiti. Issues identified during Operation Desert Storm elicited research that improved nutritional guidelines for protracted desert operations; safer use of nuclear, chemical, and biological protective clothing; equipment, development, and fielding of efficient microclimate cooling systems; and effective evaluation of pharmaceuticals to protect soldiers from chemical and biological threats. During the first decade of the 21st century, USARIEM and the Department of the Army published official medical/performance doctrines for operations in the heat and cold and at high altitude. The current Global War on Terrorism focused research to improve doctrines for hot, cold, and high-altitude operations, reduce musculoskeletal training injuries, provide improved field nutrition, more efficient planning for operational water requirements, and improve both military clothing and materiel. This article also describes the critically important interactions and communications between USARIEM and deployed units and the benefits to Warfighters from this association. This report presents USARIEM's unique and world-class facilities, organizational changes, scientific and support personnel, and major research accomplishments, including the publication of 2,200 scientific papers over the past 25 yr.

scholarly journals Automated extraction of chemical structure information from digital raster images

2009 ◽  
Vol 3 (1) ◽  
Author(s):  
Jungkap Park ◽  
Gus R Rosania ◽  
Kerby A Shedden ◽  
Mandee Nguyen ◽  
Naesung Lyu ◽  
...  
Keyword(s):  
Chemical Structure ◽  
Automated Extraction ◽  
Structure Information ◽  
Digital Raster

scholarly journals A Review of Bacteriochlorophyllides: Chemical Structures and Applications

Molecules ◽  
2021 ◽  
Vol 26 (5) ◽  
pp. 1293
Author(s):  
Chih-Hui Yang ◽  
Keng-Shiang Huang ◽  
Yi-Ting Wang ◽  
Jei-Fu Shaw
Keyword(s):  
Solar Cell ◽  
Energy Harvesting ◽  
Chemical Structure ◽  
The Other ◽  
Dye Sensitized Solar Cell ◽  
Synthetic Route ◽  
Chemical Structures ◽  
Dye Sensitized ◽  
Heme Synthesis ◽  
Potential Applications

Generally, bacteriochlorophyllides were responsible for the photosynthesis in bacteria. Seven types of bacteriochlorophyllides have been disclosed. Bacteriochlorophyllides a/b/g could be synthesized from divinyl chlorophyllide a. The other bacteriochlorophyllides c/d/e/f could be synthesized from chlorophyllide a. The chemical structure and synthetic route of bacteriochlorophyllides were summarized in this review. Furthermore, the potential applications of bacteriochlorophyllides in photosensitizers, immunosensors, influence on bacteriochlorophyll aggregation, dye-sensitized solar cell, heme synthesis and for light energy harvesting simulation were discussed.

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