New Reaxys…

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NEW REAXYS….

LEOW.PEI.SHANS&T/A&G/APAC

JUN.2013

[email protected]

IINDONESIA.VIETNAM

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CONTENTS

Is Chemistry only for Chemists?

About Reaxys

Reaxys for Undergraduates

Reaxys for Research Intensive Organizations

What It Means To You

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THE CENTRAL SCIENCEIS CHEMISTRY ONLY FOR CHEMISTS?

Chemistry is a central science

Food ScienceCosmetic ScienceBiomedical Science

Material SciencePolymer ScienceQuantum physicsNanotechnology

BiochemistryPharmacologyPharmaceutical Science

CatalysisProcess chemistryMaterial Scientists

BSc 1 BSc 2 BSc 3/4 Master/pHD GRI* / Corporate Market

Math Physics

*Government Research Institute

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CONTENTS


About Reaxys




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THE EVOLUTIONABOUT REAXYS

1881 1993 20071771Gmelin OnlineBeilstein Online Beilstein on STN

CrossFire CommanderCrossFire 1.0

2009 20131817 1988

-Earliest manual record of chemical structure -Chemistry coming into a discipline of its own

-Major Content Expansion -ELN integration -Relevant features For current and Future users -Preparation For Big Data Management

B/G/JACS/Nature/…RelevantPatents…

Fields like:- Energy- Earth Planetary Sciences- Physics and Astronomy- Pharmacology/

Toxicology/- Veterinary….(1823)

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OUR PHILOSOPHYABOUT REAXYS

Essential information

400 core journals + 16K periodicals, papers, conference proceedings 500M Experimental FactsEssential Chemistry Patents

A chemistry search discovery engine for anyone looking for chemistry insights.

Relevant answers

Reaxys Ranking AlgorithmCutting edge-filtersTaxonomy-driven search

Actionable chemistry

Intuitive Workflow Solution for scientists in chemistry R&DELN / MSWord / Excel / PDF API / SFF / Content Integration

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CONTENTS


About Reaxys




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FOUNDATION MATTERSREAXYS FOR UNDERGRADUATES

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Mer Representation Fac Representation

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1. Search for WF6 in Reaxys and identify the experimentally verified enthalpy of crystalline phase transition data. Molar enthalpy of transition = ___________, Temperature = _______________, Pressure = _________________

Compare the results with your lab session and discuss the findings.

2. Use Reaxys to find the refractive index of ethyl acetate and compare those results with your lab results. Account for the differences or similarities.

3. Use Reaxys to determine the correlation between stereochemistry and melting points. Discuss the relationship between the 3D environment and the physical property.

4. Look for concepts of the following: “Tyrosinase Inhibitors’ and related information. Look for “benzothiadiazole* solar* cell*” commonly looked upon in material sciences and some preparations of related dendrimers.

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5. How do I find the IC50 value of chemical compounds that had been tested on T.Cruzi in split seconds? Suggest synthesis methods for compound X.

6. Find various alloy composition of Ba, Y, Cu mix and narrow down the search to those with electrical data properties. Develop an alternative test method to characterize the alloys.

7. Find substances where Fe is bonded to a five-membered carbon ring, 2 CO’s, and one C. Find Coordination complexes involving the heteroatoms of Salen and a metal. Allow a substituted methyl to appear on any location of the 2 rings. Discussed the relevancy of using VSEPR or molecular orbital bond theories in explaining the 3D environment and physical properties of the compound.

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CONTENTS


About Reaxys




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MORE DISCOVERY, LESS SEARCHREAXYS FOR RESEARCH INTENSIVE

ORGANIZATIONS

R-Logic query formulation. Substitution queries can also be input. Organometallic / catalysis topics

Breaking bonds

Stereochemistry retentionProtecting group function

SAR Table

• EndNotes – Citations• ELN – PerkinElmer

integration• Speed up dataset

organization• Paper submission

timeline shorten• Report Management

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ORGANIZATIONSFor the Medicinal chemists/pharmacologists:1- Is it possible to generate a SAR table of all indole derivatives, then, combine the structures with my in-house compounds and then do a HTS.2- How do I conduct compound structure filters on Reaxys?3- I like to explore the compounds that had been tested on MCF-7 cell lines with less noise.

For the Material scientists:1-How can I pick out all information related to Pd-COD?2-Biomaterials – Polyaniline graphite superconductors. What are the specific super conductivity properties?3-I am working on multiferroics. Can I get insights to all the different preparation methods?

For the Food scientists:1-Who and which region is really working on durian and alcohol biochemistry interactions these days?2- What are all the reactions that uses “lipase” as a catalyst?

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ORGANIZATIONSFor the Bioengineers:1- Clean energy – algae fuel. Which corporate is already doing that?2- What are the reaction steps for poly(lactide)?3- A strain of yeast, saccharomyces cerevisiae, is used to produce geraniol, which can be used as a source of biofuel. What other enzymatic reactions are there for geraniol derivatives?

For the pure analytical chemists:1- Is there any possibility to search for substances with specific NMR shifts in a specific solvent, eg, 13C NMR (DMSO) Delta = 13.4, 23.4,120.5, 230.2, if I have an unknown compound to identify?2- What about other analytical parameters?3- Like to look at all preparations of [BA0.5SR0.5]TIO 3 powder and their photoluminescence behaviour.

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ORGANIZATIONS• Metal-sulfur bonds, e.g., in metal thiolate salts, are of interest in both

inorganic and bioinorganic chemistry as models in various catalytic processes and as biological active sites. An inorganic chemist will likely have distinct preferences on the chemical, electronic, and structural characteristics of the desired thiol ligand or salt. Furthermore, it may be desirable or more cost effective to purchase rather than prepare the thiol(s) of interest.

• You need to :

- Search for FeS clusters and examine the 3D presentation. Also look into magnetic targeted antibiotic microspheres (FexOy) preparations.

- Identify the most suitable electrochemical cell set-up for replication in the lab so that electrochemistry behavior can be further studied / modified and compared to in-vitro/ex-vivo and/or in-vivo biological systems.

- Find commerical availability of FeS

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ORGANIZATIONS• Current critical issue facing drug manufacturers is the lack of new pipelines and

one of the ways the industry is re-focusing is to look at drug delivery systems. With better drug delivery systems, the failure rate of potential candidate is thought to be reduce. Using the same drug to treat other indications can also be explored further. You would like to explore the concept of “drug delivery” and “polymer” and “paclitaxel”.

• You need to :

- Use literature tab to look into all the works that had been done in so far on this area of research, without going through full text screening.

- Explore the different type of polymers that had been prepared and their various incorporation with the presence of the drug of interests.

- Explore in particular diazide-functionalized paclitaxel that can serve as both drug carrier and crosslinker.

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ORGANIZATIONS• As a cosmetic RnD chemist, you have been tasked to work with your biology

colleagues to look into anti-hair loss strategies. A normal strand of hair stays on our scalp for about 4 years before dropping off naturally from the hair follicle. An active on the market, Oleanolic Acid, at certain concentration, has been known to inhibit the activity of 5-alpha 1 and 5-alpha 2 reductases. These 2 enzymes are responsible for producing dihydrotestosterone (DHT). DHT is a male hormone that shortens the hair growth cycle and thus cause hair follicles to become smaller and eventually lead to hair loss.

• You need to :

- Look at current natural sources of Oleanolic Acid that were successfully extracted

- Look at possible synthetic pathways to see the type of yields, raw materials

availability as you are competing with your colleagues in biology who are actively looking at bio-fermentation processes which are viewed to be “cleaner” and “greener”.

- Look at other side groups other than –COOH, synthesize them and pass them to your med chem/biology colleagues to screen for potential bio/pharmaco- activities.

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CONTENTS


About Reaxys




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YOUR PUBLICATIONSWHAT IT MEANS TO YOU

• More efficient way to manage research and free up time for publication

• Reduce the depth of the “valley of death” during translation research process. (how? Insights to what others are doing? So that can re-adjust your research direction and insights earlier?

• More discovery and less time on search.

• Cost savings for corporate. Avoid unnecessary costs spend on machine or raw materials. (How does this relate to the sigma/lean/kaizen processes? Either reduce or avoid costs, how to factor in? )

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FOR THE MOBILE GENERATIONWHAT IT MEANS TO YOU

On Android, please use Dotmatics Elemental

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• RX SITS IN TANDEM WITH YOUR RESEARCH WORKFLOW.

• REPRESENTS A NOVEL WAY OF INFORMATION DISCOVERY AND MANAGEMENT.

• SUITABLE FOR ANY STUDENTS AND RESEARCHER WHO NEEDS CHEMISTRY INSIGHTS.

• 15TH ASIAN CHEMICAL CONGRESS (20-23 AUG, SINGAPORE)

TO CONCLUDE

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THANK YOUANY QUESTIONS?

Online Help/ Recorded Webinars:http://www.elsevier.com/online-tools/reaxys

Elsevier Direct Contact:[email protected]@elsevier.com

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New Reaxys…