HSP top page: FFE(Formulating for Efficacy)
2011.11.20
HSPiP Team Senior Developer, Dr. Hiroshi Yamamoto
The FFE package software is developed by Prof. Dr. Johann W. Wiechers and Prof. Dr. Steven Abbott. This program is design for Cosmetic formulation. The basic concept of this program is similar to DDS (Drug Delivery System). But they did not use the word DDS, but use "Cosmetic Actives Delivery". How does this system work? If you want to dissolve some "Actives" in Cosmetic cream, the solubility is very important. But if the cream and Actives interaction is very high, Actives will not deliver to skin. For that solubility evaluation, FFE use Hansen Solubility Parameter (HSP). Prof. Dr. Johann W. Wiechers died 2011.11.6, but program is still developing by Prof. Dr. Steven Abbott.
Transdermal Drug Delivery System (TDDS):The delivery rate of drugs become larger as lower meting pint, lower molecular weight and moderate logKow(Octanol/water partition rate), the paper autor claim. I checked with HSP.
Skin Permeability: How to predict permeability constant Kp(cm/h) of chemicals. HSP play major role to skin permeability. I also determined HSP of Skin.
The Co-Crystal former screening: If you want to screening Co-Crystal former (CCF) for medicine, HSP will play very important role. HSP of CCF is similar to HSP of medicine, the possibility of co-crystalization iis high.
Quantitative solubility of Paracetamol : If I use quantitative analysis of solubility with hydrogen donor/acceptor term, I can get much better result. And we can find unknown force of interaction.
Hot and spicy: the taste (pain) of hot and Hansen Solubility Parameters (HSP). I love hot food.
But in true meaning hot is not taste but pain. I search natural herbs database that taste hot to determine TRPV1 receptor HSP. The average HSP of such compounds are [17.4, 7.2, 8.1] volume 253.5. So, they are so similar. Japanese Food company produce "Capsiate" (capsaicin analog).
Capsiate hotness is 1/1000 to capsaicin. it is not hot but it burn fat. So it is very good to who want to lose weight but dislike hot food.
Hansen Solubility Parameters (HSP) for Rabbit: I have more than 10000 compounds database for HSPiP ver.3, and compiled LD50 information. Most popular oral LD50 test is for Rat and most popular skin LD50 test is for Rabbit.Some compounds are very toxic for LD50 (oral,Rat) and also toxic for LD50(skin,rabbit). Some compounds are not so toxic for LD50(skin,rabbit). I try to check this effect with HSP and try to understand Skin permeability.
Liquid-Liquids extraction with Hansen Solubility Parameters (HSP).
This extraction system is organic liquids and water system. If the chemical is relatively easily dissolve to organic solvent, HSP distance is small. So, I think that the HSP distance from solute to organic solvent will become one of the index for liquid-liquid extraction.The HPLC with ODS column, it can be treated as continuous hexane-water extraction.
My logP, logKow estimation Accuracy: I checked my new ver. 3.1.x Y-MB routine with hormonally active agents (endocrine disrupting chemicals) experimental logP values with YMB results. And I also add the correlation of VOC compounds' experimental logP to Y-MB results.
Hansen Solubility Parameters (HSP) and logP: LogP, logKow (Octanol/water partition ratio) is very important index in medical area, so we try to find out the relationship HSP and logP. But failed. This index is just the ratio, so both 100/100 and 0.01/0.01, the logP become 0. Then the question arise. Why logP is predicatble from only its structure? There are several logP estimation program is exist such as clogp, Sci-logP. In Pirika, I also have one. Why it can be canceled the difference of 100/100 and 0.01/0.01 ? What we found is logP = Volume.
Allergens for Cosmetics: For food chemistry or cosmetic chemistry, removing or decreasing of allergens is very important. The concept of Hansen Solubility parameters is "likes dissolve likes". If the HSP is alike, that chemicals will dissolve into same receptor and it cause to same reaction. I examined 141 allergen compounds' Hansen Solubility Parameters (HSP) with SOM (self organization) map.
Hansen Solubility Parameters (HSP) and Carcinogenicity: PCBs (polychlorinated biphenyls) readily penetrate skin, PVC (polyvinyl chloride), and latex (natural rubber). PCB-resistant materials include Viton, polyethylene, polyvinyl acetate (PVA), polytetrafluoroethylene (PTFE), butyl rubber, nitrile rubber, and Neoprene. (Wikipedia). It is very interestng to know these solubility. And some have carcinogenicity, some do not have. I analye SOM(self organization map) of Poly-chlorinated compounds with HSP.
Hansen Solubility Parameters (HSP) and Endocrine Disruptor: Endocrine disruptors are exogenous substances that act like hormones in the endocrine system and disrupt the physiologic function of endogenous hormones. They are sometimes also referred to as hormonally active agents or endocrine disrupting chemicals/compounds (EDC). I categorize EDC with SOM (Self organization map) with HSP. I checked the performance of YMB properties estimation function with these EDC.
logS, logBCF estimation: log(Solubility to water) and log(Biological concentration Factor) is very important index from the environmental point of view. Add results of VOC compounds.
