Jean-Claude Bradley provides examples of how detailed monitoring of chemical mixing can be advantageous for new discoveries and Green Chemistry. The role of openness to successfully accomplish this goal is also discussed.
Jean-Claude Bradley (Drexel University), Matthew McBride (Drexel University) and Andrew Lang (Oral Roberts University) presented at the White House Open Science Poster Session on June 20, 2013. Open Notebook Science examples of melting point, solubility and recrystallization Open Data and Open Modeling were presented.
Jean-Claude Bradley presents at the University of Delaware Tuesday Tech Talks on February 12, 2013. The aim is to make a compelling case that openness is valuable to the educational process and augmenting scientific knowledge. Specific examples in chemistry relating to solubility, melting point and recrystallization will be detailed, as well as the technical solutions that have proved most useful.
Jean-Claude Bradley presents on Open Notebook Science: Transparency in Research on October 23, 2012 at Georgia Tech for Open Access Week. Topics include solubility, melting points, a recrystallization app, the Chemical Information Retrieval class at Drexel University and the Open Chemical Property Matrix (OCPM). YouTube recording here: http://youtu.be/XpRyfdNuMrQ
Jean-Claude Bradley presents at the Opal Events 3rd Annual Drug Discovery Partnership: Filling the Pipeline on Pre-competitive Collaboration: Sharing Data to Increase Predictability
Jean-Claude Bradley presents on March 30, 2011 at the American Chemical Society on Rapid Dissemination of Chemical Information for people and machines using Open Notebook Science.
The collection, curation and modeling of Open Melting Point measurementsJean-Claude Bradley
Jean-Claude Bradley and Andrew Lang present at the 5th Meeting on U.S. Government Chemical Databases and Open Chemistry on August 26, 2011 about "The collection, curation and modeling of Open Melting Point measurements". The talk also covers the role of Open Notebook Science and Google Apps Scripts in this effort.
Jean-Claude Bradley presents at the Special Libraries Association meeting on June 14, 2011 on the "International Year of Chemistry: Perils and Promises of Modern Communication in the Sciences- The Role of Trust". The talk mainly covers the problems with a trusted source based model for melting point data and demonstrates that an Open Data model including Open Notebook Science when necessary can be very helpful in curating datasets. Web services for experimental and predicted melting points are then reviewed.
Jean-Claude Bradley (Drexel University), Matthew McBride (Drexel University) and Andrew Lang (Oral Roberts University) presented at the White House Open Science Poster Session on June 20, 2013. Open Notebook Science examples of melting point, solubility and recrystallization Open Data and Open Modeling were presented.
Jean-Claude Bradley presents at the University of Delaware Tuesday Tech Talks on February 12, 2013. The aim is to make a compelling case that openness is valuable to the educational process and augmenting scientific knowledge. Specific examples in chemistry relating to solubility, melting point and recrystallization will be detailed, as well as the technical solutions that have proved most useful.
Jean-Claude Bradley presents on Open Notebook Science: Transparency in Research on October 23, 2012 at Georgia Tech for Open Access Week. Topics include solubility, melting points, a recrystallization app, the Chemical Information Retrieval class at Drexel University and the Open Chemical Property Matrix (OCPM). YouTube recording here: http://youtu.be/XpRyfdNuMrQ
Jean-Claude Bradley presents at the Opal Events 3rd Annual Drug Discovery Partnership: Filling the Pipeline on Pre-competitive Collaboration: Sharing Data to Increase Predictability
Jean-Claude Bradley presents on March 30, 2011 at the American Chemical Society on Rapid Dissemination of Chemical Information for people and machines using Open Notebook Science.
The collection, curation and modeling of Open Melting Point measurementsJean-Claude Bradley
Jean-Claude Bradley and Andrew Lang present at the 5th Meeting on U.S. Government Chemical Databases and Open Chemistry on August 26, 2011 about "The collection, curation and modeling of Open Melting Point measurements". The talk also covers the role of Open Notebook Science and Google Apps Scripts in this effort.
Jean-Claude Bradley presents at the Special Libraries Association meeting on June 14, 2011 on the "International Year of Chemistry: Perils and Promises of Modern Communication in the Sciences- The Role of Trust". The talk mainly covers the problems with a trusted source based model for melting point data and demonstrates that an Open Data model including Open Notebook Science when necessary can be very helpful in curating datasets. Web services for experimental and predicted melting points are then reviewed.
Jean-Claude Bradley presents a 15 minute summary of current research in his lab on September 29, 2011 at the Drexel University Department of Chemistry Faculty Mini-Symposium. The main project discussed is the Open Melting Point Collection done in collaboration with Andrew Lang and Antony Williams. Work by Evan Curtin is also shown, demonstrating the application of melting point and solubility in reaction design
Jean-Claude Bradley presents the introductory lecture for Chemical Information Retrieval at Drexel University for Fall 2011 on September 23, 2011. Examples are given to demonstrate how difficult it can be to find and assess chemical information such as melting points. An overview of the class wiki is then given
Jean-Claude Bradley presents "Accelerating Discovery by Sharing: a case for Open Notebook Science" at the National Breast Cancer Coalition Annual Advocacy Conference in Arlington, VA on May 1, 2011.
Jean-Claude Bradley presented at a panel on New Forms of Scholarly Communication in Science at the Special Libraries Association meeting on June 15, 2011. The talk covered the role of trust in science, with a focus on the validation of melting point data. Where the literature was unable to reconcile measurements, Open Notebook Science was used to clarify. The collection of an Open Dataset of melting point measurements for 20,000 compounds was described as well as ongoing curation efforts and corresponding web services. (collaborators Andrew Lang and Antony Williams)
Jean-Claude Bradley presents "Open Notebook Science as an efficient means for transparency in science" on April 15, 2011 at the Drexel Nanotechnology Institute IGERT Meeting.
Jean-Claude Bradley presents at the American Chemical Society meeting on August 20, 2012. Examples are first presented to demonstrate how access to Open Notebooks can provide critical information not usually shared in the traditional publication process. The use of Google App Scripts to look up chemical properties allows for the use of Google Spreadsheets as a self-contained dashboard to plan and analyze chemical reactions. The concept of the Open Chemical Property Matrix (OCPM) is introduced and a smartphone app to suggest recrystallization solvents is then presented.
Jean-Claude Bradley, Carl Boettiger and Antony Williams moderate the Open Notebook Science session at the Science Online conference on January 15, 2011.
The importance of data curation on QSAR Modeling: PHYSPROP open data as a cas...Kamel Mansouri
This presentation highlighted how data curation impacts the reliability of QSAR models. We examined key datasets related to environmental endpoints to validate across chemical structure representations (e.g., mol file and SMILES) and identifiers (chemical names and registry numbers), and approaches to standardize data into QSAR-ready formats prior to modeling procedures. This allowed us to quantify and segregate data into quality categories. This improved our ability to evaluate the resulting models that can be developed from these data slices, and to quantify to what extent efforts developing high-quality datasets have the expected pay-off in terms of predicting performance. The most accurate models that we build will be accessible via our public-facing platform and will be used for screening and prioritizing chemicals for further testing.
The anatomy of a chemical reaction: Dissection by machine learning algorithmsAlex Clark
Presented at American Chemical Society meeting, Boston, 2015. The open data revolution stands to make a profound contribution to cheminformatics, but only if scientists compose their data in a way that is readable to machines as well as humans. This talk describes some of the do's and don't's for preparing chemical reactions for the benefit of machine learning algorithms.
USUGM 2014 - Miklós Szabó (ChemAxon): Analysis & Refinement in Evolution of t...ChemAxon
ChemAxon has been developing chemical data management tools, toolkits and applications for 16 years, primarily to the life science industry. Over this time, changes in the industry and technology have led change in our technology and how we work with clients. This talk outlines the ChemAxon functionality, breaking the topic down into processes scientists care about (creation, storage, analysis & reporting), highlights developments and our response to the opportunities in this changing environment.
GeoConvention2016_Identifying Surface Casing Vent Flows (SCVF) Using Geoforen...Chemistry Matters Inc.
Presentation at 2016 GeoConvention in Calgary, Alberta. Presentation covered best practices for the collection of samples then using advanced geochemistry and geoforensics to identify source zones of SCVFs.
Jean-Claude Bradley presents on "Open Notebook Science and other Science2.0 Approaches to Communicate Research" at the University of Pennsylvania Library.
This was a last minute microtalk given at the Swiss Institute of Bioinformatics SIB 2011 Summer school in Bioinformatics & Population Genomics in Adelboden (http://edu.isb-sib.ch/course/view.php?id=111 ).
Jean-Claude Bradley presents a 15 minute summary of current research in his lab on September 29, 2011 at the Drexel University Department of Chemistry Faculty Mini-Symposium. The main project discussed is the Open Melting Point Collection done in collaboration with Andrew Lang and Antony Williams. Work by Evan Curtin is also shown, demonstrating the application of melting point and solubility in reaction design
Jean-Claude Bradley presents the introductory lecture for Chemical Information Retrieval at Drexel University for Fall 2011 on September 23, 2011. Examples are given to demonstrate how difficult it can be to find and assess chemical information such as melting points. An overview of the class wiki is then given
Jean-Claude Bradley presents "Accelerating Discovery by Sharing: a case for Open Notebook Science" at the National Breast Cancer Coalition Annual Advocacy Conference in Arlington, VA on May 1, 2011.
Jean-Claude Bradley presented at a panel on New Forms of Scholarly Communication in Science at the Special Libraries Association meeting on June 15, 2011. The talk covered the role of trust in science, with a focus on the validation of melting point data. Where the literature was unable to reconcile measurements, Open Notebook Science was used to clarify. The collection of an Open Dataset of melting point measurements for 20,000 compounds was described as well as ongoing curation efforts and corresponding web services. (collaborators Andrew Lang and Antony Williams)
Jean-Claude Bradley presents "Open Notebook Science as an efficient means for transparency in science" on April 15, 2011 at the Drexel Nanotechnology Institute IGERT Meeting.
Jean-Claude Bradley presents at the American Chemical Society meeting on August 20, 2012. Examples are first presented to demonstrate how access to Open Notebooks can provide critical information not usually shared in the traditional publication process. The use of Google App Scripts to look up chemical properties allows for the use of Google Spreadsheets as a self-contained dashboard to plan and analyze chemical reactions. The concept of the Open Chemical Property Matrix (OCPM) is introduced and a smartphone app to suggest recrystallization solvents is then presented.
Jean-Claude Bradley, Carl Boettiger and Antony Williams moderate the Open Notebook Science session at the Science Online conference on January 15, 2011.
The importance of data curation on QSAR Modeling: PHYSPROP open data as a cas...Kamel Mansouri
This presentation highlighted how data curation impacts the reliability of QSAR models. We examined key datasets related to environmental endpoints to validate across chemical structure representations (e.g., mol file and SMILES) and identifiers (chemical names and registry numbers), and approaches to standardize data into QSAR-ready formats prior to modeling procedures. This allowed us to quantify and segregate data into quality categories. This improved our ability to evaluate the resulting models that can be developed from these data slices, and to quantify to what extent efforts developing high-quality datasets have the expected pay-off in terms of predicting performance. The most accurate models that we build will be accessible via our public-facing platform and will be used for screening and prioritizing chemicals for further testing.
The anatomy of a chemical reaction: Dissection by machine learning algorithmsAlex Clark
Presented at American Chemical Society meeting, Boston, 2015. The open data revolution stands to make a profound contribution to cheminformatics, but only if scientists compose their data in a way that is readable to machines as well as humans. This talk describes some of the do's and don't's for preparing chemical reactions for the benefit of machine learning algorithms.
USUGM 2014 - Miklós Szabó (ChemAxon): Analysis & Refinement in Evolution of t...ChemAxon
ChemAxon has been developing chemical data management tools, toolkits and applications for 16 years, primarily to the life science industry. Over this time, changes in the industry and technology have led change in our technology and how we work with clients. This talk outlines the ChemAxon functionality, breaking the topic down into processes scientists care about (creation, storage, analysis & reporting), highlights developments and our response to the opportunities in this changing environment.
GeoConvention2016_Identifying Surface Casing Vent Flows (SCVF) Using Geoforen...Chemistry Matters Inc.
Presentation at 2016 GeoConvention in Calgary, Alberta. Presentation covered best practices for the collection of samples then using advanced geochemistry and geoforensics to identify source zones of SCVFs.
Jean-Claude Bradley presents on "Open Notebook Science and other Science2.0 Approaches to Communicate Research" at the University of Pennsylvania Library.
This was a last minute microtalk given at the Swiss Institute of Bioinformatics SIB 2011 Summer school in Bioinformatics & Population Genomics in Adelboden (http://edu.isb-sib.ch/course/view.php?id=111 ).
Jonathan Eisen: Phylogenetic approaches to the analysis of genomes and metage...Jonathan Eisen
Talk by Jonathan Eisen March 7, 2012 at the National Academy of Sciences Institute of Medicine "Forum on Microbial Threats" meeting on the "Social Biology of Microbes"
The neurobiological nature of free willBjörn Brembs
Our own experience of our free will has been classified as either supernatural or an illusion because it is difficult to reconcile with macroscopic determinism as well as with microscopic quantum randomness. The former constituting a prison in which no freedom can exist, the latter signifying destructive chaos rather than creative action. Lost in this dichotomy is the demonstrated constructive combination of chance and necessity in complex systems, such as evolution. Recent converging evidence from neuroscience, ecology and genetics suggests that nervous systems, including human brains, have evolved neural circuits that harness (potentially quantum) chance events by embedding them in the controlling architecture of neuronal rules, in order to carefully inject them as creative components into ongoing goal-directed behavior. This presentation contains evidence that this form of behavioral variability may constitute a necessary neural mechanism for free will to evolve in humans.
Leveraging Transparency and Crowdsourcing in Chemistry Using Open Notebook Sc...Jean-Claude Bradley
Jean-Claude Bradley presents on October 9, 2009 at the Northeastern Regional Meeting of the American Chemical Society in Hartford. This talk, entitled "Leveraging Transparency and Crowdsourcing in Chemistry Using Open Notebook Science", was part of a symposium on Publishing and Promoting Chemistry in the Internet Age. It consists of an overview of Open Notebook Science with some new content on solubility prediction algorithms written by Andrew Lang and a few example of students taking a Chemical Information Retrieval class at Drexel University using research logs on a wiki to flesh out their projects.
Jean-Claude Bradley presents at the American Chemical Society on August 16, 2009. The talk starts with highlighting how Open Notebook Science has been used to shed light on the recent report of using sodium hydride (NaH) as an oxidant. Next the Open Notebook Science Challenge is described, where ONS coupled to crowdsourcing is used to measure and share non-aqueous solubility data. Recent developments in using bots to contribute to the scientific process and applications to the Ugi reaction are mentioned.
Jean-Claude Bradley presents a talk on Open Notebook Science at the Association of College and Research Libraries on Feb 17, 2009. This presentation includes all of the relevant work up to this date, including the Spectra Game, the ONS solubility challenge and the main data viewers developed by Andy Lang and Rajarshi Guha for the web and Second Life.
This talk covers Open Notebook Science from an information technology perspective . Although solubility measurements and chemical reactions are mentioned the focus is more on how information is stored, retrieved and used using free and hosted services such as Blogger, GoogleDocs, Wikispaces, ChemSpider, CDD and others. The UsefulChem project and the Open Notebook Science Challenge are highlighted.
Jean-Claude Bradley presented on Open Notebook Science at the NIST Social Media Day on December 11, 2008. The talks starts with an overview of ONS and how it is being used to assess solubility measurements being crowdsourced in the ONS Challenge and Submeta Awards. The use of wikis, blogs, Google Spreadsheets, YouTube, Flickr, ChemSpider and other free hosted Web2.0 tools is highlighted. The UsefulChem project, involving the synthesis of anti-malarial agents, is then briefly covered. Finally, a very recent application of using Google Spreadsheets to automatically call web services to calculate volumes and weights of chemicals needed in reactions is demonstrated (code by Rajarshi Guha).
Jean-Claude Bradley and Andrew Lang present on "Open Notebook Science for Research and Teaching" on February 18, 2010 at the National Institute for Technology in Liberal Education. A few examples of the use of ONS in chemistry are outlined followed by details of the Web2.0 tools implemented. The end of the presentation covers new work on how to archive Open Notebooks and all supporting documentation.
Jean-Claude Bradley presents on The Role of Openness in Scientific Automation: a case for Open Notebook Science at the IJCAI'09 Workshop on Abductive and Inductive Knowledge Development in Pasadena, CA on July 12, 2009.
Jean-Claude Bradley discusses Open Notebook Science on April 15, 2009 at the NASA Goddard Space Flight Center. This includes recent material such as ONS logos, the ChemTiles and Spectral Games, automated backup of Google Spreadsheets and automated solubility determinations using web services called from within Google Spreadsheets.
Jean-Claude Bradley presents at the Science Commons Symposium on Feb 20, 2010 at the Microsoft Campus in Redmond. The talk covers doing Open Notebook Science using free and hosted tools, including new archiving protocols developed with Andrew Lang.
Jean-Claude Bradley's slides for the Science Online 2010 conference at RTP, NC on January 17, 2010. This session was run jointly with Steve Koch and Cameron Neylon.
This is my April 16, 2008 presentation at the Scholar2Scholar conference at Drexel University. I introduce Web2.0 then show how developing anti-malarial agents can be done on blogs and wikis.
Re-analysis of the Cochrane Library data and heterogeneity challengesEvangelos Kontopantelis
Heterogeneity issues and a re-analysis of the Cochrane Library data. Presented in the 35th Annual Conference of the International Society for Clinical Biostatistics (ISCB35) in Vienna
A keynote talk I gave OSU Research Week on the importance of Open Science, especially Open Notebook Science, illustrated by practical examples. Talk inspired by Jean-Claude Bradley. Slides inspired by Cameron Neylon.
Jean-Claude Bradley presents an overview of Open Notebook Science at a Columbia panel on Open Science on February 19, 2009. The content of this presentation is targeted to a library services audience.
Jean-Claude Bradley presents on "Open Notebook Science for Malaria Drug Discovery and Solubility Modeling" in the Chemistry Department at Drexel University on September 30, 2010. This is a brief overview of the research going on in the Bradley laboratory.
This is a presentation by Jean-Claude Bradley at the Biennial Conference for Chemical Education (BCCE) on July 29, 2008. The talk starts with an overview of Open Notebook Science using a wiki as a public lab notebook. An example of the usefulness of publishing failed experiments is detailed, showing how the version history of the wiki can be used to track the evolution of an organic chemistry experiment. Near the end of the talk an example of using automation to optimize a Ugi reaction is mentioned.
Similar to A brief description of the Chemical Rediscovery Survey and Open Chemistry in the Bradley Lab at Drexel University (20)
Nuit de la Liberté - Science Ouverte avec Jean-Claude Bradley Jean-Claude Bradley
Jean-Claude Bradley présente a la nuit de la liberté au musée de la civilisation a l'université Laval le 8 novembre 2012. Cette présentation de 10 minutes discute des façons de partager la Science Ouverte en général et la Science par Cahier de Laboratoire Ouvert en particulier.
The final exam for the Chemical Information Retrieval course CHEM367/767 in 2009 by Jean-Claude Bradley at Drexel University.
http://cheminfo2010.wikispaces.com
Don Hagen presented at the Special Libraries Association meeting on June 15, 2011 as part of a panel on New Forms of Scholarly Communications in the Sciences. His talk was entitled "NTIS Focus on Science and Data: Open and Sustainable Models for Science Information Discovery"
Lawrence Souder from Drexel University presented on June 14, 2011 at a panel on "International Year of Chemistry: Perils and Promises of Modern Communication in the Sciences" at the Special Libraries Association meeting. His talk covered Trust in Science and Science by Blogging, using as an example the NASA press release on arsenic in bacteria and subsequent controversy taking place in the blogosphere
Cette présentation couvrira des méthodes et des outils utilisés pour rassembler, enregistrer et disséminer l'information chimique utilisant la Science par Cahier de Laboratoire Ouvert, la pratique de rendre un cahier de laboratoire et tous données brutes associées disponibles publiquement aussitôt que possible. Des mesures de solubilité et les réactions de chimie organique sont manipulées de cette façon. L'enregistrement des données de laboratoire est manipulé principalement utilisant des centres serveurs libres et tels que Wikispaces et Feuilles de Calcul de Google. L'information est rendue découvrable utilisant les voies de transmission superflues, y compris Google, Wikipedia et d'autres véhicules. L'abstraction des éléments clé des mesures de solubilité et des réactions chimiques permet la consommation automatisée de l’information. Les implications pour le futur de l'automation du processus scientifique basé sur des données ouvertes et des services ouverts seront discutées.
The use of non-aqueous solubility to control reaction outcomesJean-Claude Bradley
Evan Curtin from the Bradley Research Group at Drexel University presented a poster at the Research Day for the College of Arts and Sciences on April 5, 2011. The project involves the synthesis of aromatic imines and the measurement of their solubility to select an optimal solvent for their formation.
Jean-Claude Bradley presents on "Open Education in Chemistry Research and Classroom" at the Philadelphia University of Sciences on January 11, 2011. The talk covers screencasting, wikis, chemical information validation, Open Notebook Science and smartphones.
Mirza PhD defense on the Ugi reaction for anti-malarial screeningJean-Claude Bradley
Khalid Baig Mirza defends his Ph.D. thesis at Drexel University on December 6, 2010 (advisor JC Bradley). He first discusses Open Notebook Science and his contribution to the sodium hydride oxidation controversy. Then he describes the UsefulChem project, involving the use of the Ugi reaction as an approach to synthesizing new anti-malarial agents, including a few unexpected side reactions and challenges. Finally he presents an overview of the ONS Solubility Challenge and its application to organic synthesis.
Dana Vanderwall, Associate Director of Cheminformatics at Bristol-Myers Squibb, presented at Drexel University for Jean-Claude Bradley's Chemical Information Retrieval class on December 2, 2010. This first part covers "Cheminformatics & The evolving relationship between data in the public domain & pharma" and includes a general discussion of modern drug discovery and the details of a malaria dataset recently released from the pharmaceutical industry to the public.
Jean-Claude Bradley presents on the use of smartphones, wikis and games for educational applications at a Drexel University Faculty Showcase on November 12, 2010.
Jean-Claude Bradley presents on "The implications of Open Notebook Science and other new forms of scientific communication for Nanoinformatics" at the Nanoinformatics 2010 conference on November 3, 2010. The presentation first covers the use of the laboratory knowledge management system SMIRP for nanotechnology applications during the period of 1999-2001 at Drexel University. The exporting of single experiments from SMIRP and publication to the Chemistry Preprint Archive is then described followed by the evolution to Open Notebook Science in 2005. Abstraction of semantic structure from ONS projects in the areas of drug discovery and solubility is then detailed as an efficient mechanism to provide web services and machine readable data feeds.
Unit 8 - Information and Communication Technology (Paper I).pdfThiyagu K
This slides describes the basic concepts of ICT, basics of Email, Emerging Technology and Digital Initiatives in Education. This presentations aligns with the UGC Paper I syllabus.
Read| The latest issue of The Challenger is here! We are thrilled to announce that our school paper has qualified for the NATIONAL SCHOOLS PRESS CONFERENCE (NSPC) 2024. Thank you for your unwavering support and trust. Dive into the stories that made us stand out!
Students, digital devices and success - Andreas Schleicher - 27 May 2024..pptxEduSkills OECD
Andreas Schleicher presents at the OECD webinar ‘Digital devices in schools: detrimental distraction or secret to success?’ on 27 May 2024. The presentation was based on findings from PISA 2022 results and the webinar helped launch the PISA in Focus ‘Managing screen time: How to protect and equip students against distraction’ https://www.oecd-ilibrary.org/education/managing-screen-time_7c225af4-en and the OECD Education Policy Perspective ‘Students, digital devices and success’ can be found here - https://oe.cd/il/5yV
How to Make a Field invisible in Odoo 17Celine George
It is possible to hide or invisible some fields in odoo. Commonly using “invisible” attribute in the field definition to invisible the fields. This slide will show how to make a field invisible in odoo 17.
This is a presentation by Dada Robert in a Your Skill Boost masterclass organised by the Excellence Foundation for South Sudan (EFSS) on Saturday, the 25th and Sunday, the 26th of May 2024.
He discussed the concept of quality improvement, emphasizing its applicability to various aspects of life, including personal, project, and program improvements. He defined quality as doing the right thing at the right time in the right way to achieve the best possible results and discussed the concept of the "gap" between what we know and what we do, and how this gap represents the areas we need to improve. He explained the scientific approach to quality improvement, which involves systematic performance analysis, testing and learning, and implementing change ideas. He also highlighted the importance of client focus and a team approach to quality improvement.
Palestine last event orientationfvgnh .pptxRaedMohamed3
An EFL lesson about the current events in Palestine. It is intended to be for intermediate students who wish to increase their listening skills through a short lesson in power point.
Synthetic Fiber Construction in lab .pptxPavel ( NSTU)
Synthetic fiber production is a fascinating and complex field that blends chemistry, engineering, and environmental science. By understanding these aspects, students can gain a comprehensive view of synthetic fiber production, its impact on society and the environment, and the potential for future innovations. Synthetic fibers play a crucial role in modern society, impacting various aspects of daily life, industry, and the environment. ynthetic fibers are integral to modern life, offering a range of benefits from cost-effectiveness and versatility to innovative applications and performance characteristics. While they pose environmental challenges, ongoing research and development aim to create more sustainable and eco-friendly alternatives. Understanding the importance of synthetic fibers helps in appreciating their role in the economy, industry, and daily life, while also emphasizing the need for sustainable practices and innovation.
Chapter 3 - Islamic Banking Products and Services.pptx
A brief description of the Chemical Rediscovery Survey and Open Chemistry in the Bradley Lab at Drexel University
1. The Chemical Rediscovery
Survey and the role of
Openness in Chemistry
Research Mini-Symposia
Drexel University Department of Chemistry
Jean-Claude Bradley
Associate Professor of Chemistry
Drexel University
March 6, 2014
2. Forms of Openness in Science
1. Open Access Peer-Reviewed
Publication
2. Informal Discussions
3. Open Source Software
4. Open Datasets and Models
5. Open Notebook Science
6. Open Research Proposals
3. Top 5 questions in chemistry
according to Scientific American
(Nov 5, 2013)
1. Can we unravel the puzzle of life’s
origins?
2. Can we ever beat photosynthesis?
3. How do we make chemistry
environmentally friendly?
4. Can we design the perfect drug?
5. How do we sell chemistry to the
public?
4. The current paradigm of doing and
sharing science in chemistry
1. Design experiments based on
established or potentially new theories.
2. Execute and record experimental
outcomes in private notebooks.
3. When a sufficient narrative emerges
selective experimental data are
combined to publish, with a limited
amount of “supplementary supporting
data”
5. What kind of (chemical) worldview
has this approach created?
1. Selective bias towards which
experiment are even attempted.
2. Overconfidence in our understanding
since deviant or ambiguous results are
rarely reported.
6. Filling in the blind spots with the
Chemical Rediscovery Survey
(chemrs.wikispaces.com)
1.
2.
3.
4.
Randomize the mixture of chemicals with
certain criteria*
Identify “what happens” after convenient*
periods of time.
Follow up on unexpected behavior with the
traditional scientific method.
Openly share the entire process, including all
raw data and preliminary hypotheses and
discoveries as it happens.
7. The current CRS criteria
1. Only small common cheap organic
compounds
2. Only select relatively “Green”
compounds
3. Avoid excessively unpleasant
compounds (stench!)
8. Co-axial NMR tubes are used to isolate
the reaction from the deuterated solvent
9. An example of a Chemical
Rediscovery Survey experiment
16. In the case of ethanol, hemiacetal OH
appears as doublet (7.3 Hz)
17. This level of detail for monitoring
chemical interactions is not typically
available from the chemical literature
(Open or Not)
Using NMR spectroscopy in this way to
create an Open Survey of chemical
behavior is analogous in astronomy to
creating a new Survey of Space by
introducing a new telescope
18. NMR requires a homogeneous solution
for proper measurement
However once an interesting reaction has
been observed to occur slowly at 25C and
low concentration, preparative scale-up
conditions can be estimated (i.e. reaction
rate doubles about every 10C)
20. What are good solvents to recrystallize benzoic acid?
(Andrew Lang)
21. Click on the solvent to see temp curve (Open)
(Andrew Lang)
22. The role of Openness in rethinking how to
tackle the “big chemistry questions”
Q3. How do we make chemistry
environmentally friendly?
By limiting ourselves to relatively Green
compounds and by sharing all data in real time
we are much more likely to find Green reactions
from the CRS project and encourage others to
benefit.
This would reduce student exposure in teaching
labs and lower costs for waste disposal
23. Q4. Can we design the perfect drug?
We can try to do Open Drug Discovery – we have
found active lead compounds against malaria for
example and working on Taxol analogs
(Andrew Lang)
24. Q5. How do we sell chemistry to the public?
We are approaching 1000 queries a day for
specific solubility and melting point data.
Some originate from academia and industry
but many from high schools and the
general public.
By concentrating on “Green” non toxic and
readily available compounds and by
providing Open resources to encourage
their curiosity the public will become more
engaged and understand the importance of
chemistry.
32. What is the melting point of 4-benzyltoluene?
American Petroleum Institute
PHYSPROP
PHYSPROP
peer reviewed journal (2008)
government database
government database
5C
-30 C
125 C
97.5 C
-30 C
4.58 C
33. Open Lab Notebook page measuring the
melting point of 4-benzyltoluene
34. An example of a failed experiment in an Open
Notebook with useful information
38. There are NO FACTS,
only measurements embedded
within assumptions
Open Notebook Science maintains
the integrity of data provenance by
making assumptions explicit
39. An example of a successful experiment in an Open
Notebook that was used to improve the teaching lab
manual
40. Open Random Forest modeling of Open Melting Point
data using CDK descriptors
(Andrew Lang)
R2 = 0.78, TPSA and nHdon most important
47. Conclusions
More openness in chemistry can make science more efficient and
address many of the key current questions challenging chemistry
community
Provide interfaces that make sense to the end users:
Open Data, Open Models and Open Source Software to modelers
Apps (smartphones, Google App Scripts, etc.) for chemists at the bench
Acknowledgements
Andrew Lang (code, modeling)
Bill Acree (modeling, solubility data contribution)
Antony Williams (ChemSpider services, mp data curation)
Matthew McBride and Rida Atif (recrystallization and synthesis)
Kayla Gogarty, Cuepil Choi, Matthew McBride, Alex Turfa (CRS)