HSP Application note #30
Flavor that Cockroach love and Hansen Solubility Parameter (HSP)
HSPiP Team Senior Developer, Dr. Hiroshi Yamamoto
Hansen Solubility Parameters (HSP)
Hansen Solubility Parameters(HSP) were developed by Charles M. Hansen as a way of predicting if one material will dissolve in another and form a solution. They are based on the idea that "like dissolves like" where one molecule is defined as being 'like' another if it bonds to itself in a similar way.
What can perhaps be surprising is that one can assign HSP to so many different things. Gases like carbon dioxide, solids like carbon-60, sugar, and biological materials like human skin, depot fat, DNA, and even some proteins all have HSP. The list can be continued with drugs, polymers, plasticizers, and in fact any organic material and even many inorganic materials like salts. The only requirement for an experimental confirmation is that the material must behave differently in a sufficient number of test solvents upon contact.
I searched the chemicals that use for lure Cockroach in patents.
If you have Smiles structure and HSPiP software, Y-MB function will calculate HSP immediately.
HSPiP(Hansen Solubility Parameters in Practice)
The first edition of HSPiP that appeared in November, 2008, greatly enhanced the usefulness of the Hansen solubility parameters (HSP).
The HSP values of over 1200++ chemicals and 500 polymers are provided in convenient electronic format and have been revised and updated using the latest data sources in the second edition (March, 2009).
A third edition of the HSPiP appeared in March, 2010. There are now 10,000 compounds in the HSP file which also includes data on density, melting point, boiling point, critical parameters, Antoine constants and much more. The user is able to carry out many different sorts of optimisations of solubility, evaporation, diffusion, adhesion, create their own datasets (automatically if required) and explore the huge range of applications for HSP in coatings, paints, nanoparticles, cosmetics, pharma, organic photovoltaics and much more.
The 3rd Edition v3.1 was released on 12 December 2010. Current users can upgrade free (now v3.1.09) by downloading the latest .msi installer from http://hansen-solubility.com
The 4th Edition v4.0.x was released on 2 Jan. 2013. The Current users can upgrade with free charge.
2013.1.28 The Visual How to manual of HSPiP. You can understand what HSPiP can do.
Y-MB Properties Estimation
Y-MB break Smiles into correspponding Functional Groups and Estimate various Properties. These estimation schemes are come from Pirika technologies.
|[18.3, 12.7, 14.9]||[18.2, 12.8, 16.6]||[17.8, 11.1, 14.4]|
The average HSP is [18.1, 12.2, 15.3].
I searched chemicals in our 10000+ database.
17.2 < dD < 18.7
11 < dP < 13
14 < dH <17
To my astonishment, there is only 4 compounds except above.
We never recommend you to use these chemicals as fragrance where cockroach alive.
Blattellakuxuinone(849762-24-9) is pheromone of Cockroach.
HSP is [17.3, 9.6, 7.2].
There are 19 compounds around this HSP.
These fragrance would cause disaster in Japan.
Please check HSPiP before use.
In other patent, CAS# 123-11-5 Anisaldehyde is used. This compound’s HSP is [19.3, 9.8, 6.8]
This compound is very near to Pheromone.
Drag=Rotate, Drag+Shift=Larger/Smaller, Drag+Alt or Command(Window key)=Translate.
If you are using HTML5 enable browser such as Chrome, Safari or FireFox (IE9 is out of support), you will see the Canvas. If you pick solvent, solvent name will appear.
Green Sphere means Pheromone, Cyan Sphere means Anisaldehyde.
British researcher found some proteins that kill multiple drug resistance Bacteria.
Cockroach live in very dirty place, and acquire killing bacteria ability.
I want to calculate such proteins HSP.