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Archive! Oct06 - Dec07 Ccroberts( t · c · g )


Welcome to the Chemicals WikiProject!

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Hi CC! (Is that what we should call you?) Thanks for signing up at WP:Chem. The chemists here are generally a friendly bunch, so I hope you'll enjoy working with us. Some useful pages to look at:

Feel free to ask me or others for help. Walkerma 06:09, 26 October 2006 (UTC)

MDMA metabolic pathway

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Hi CC! Am I right that you created this drawing yourself - in ChemDraw or something? Assuming that is the case, then I would make this public domain. If you prefer, you can declare it GFDL or CC, but this isn't exactly high art - most the chemists here simply make their reaction schemes public domain for simplicity. It is perfectly OK to redraw a reaction scheme like this, and make it open for the public to use, as long as you cite the source of the information. Our library doesn't subscribe to that journal, so I can't check the original article, though I did add citation info to the image file.

The scheme looks to be nicely done, but you should probably be made aware of our structure drawing guidelines if you haven't seen these yet (we really should organise these pages better!). In short, we recommend ACS settings, with a size of 1000-2000px wide, and transparent PNG or SVG. I think your image looks fine as it is, though. Let me know if there is anything else I can help with. Cheers, Walkerma 02:05, 24 May 2007 (UTC)

Chemical Structure Inaccuracies

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I fixed the chemical structure inaccuracies to which you alerted me. I checked all the tryptamine structures, and not all of them had mistakes, only a few did. But they're fixed now. I also fixed the melatonin picture. I also appreciate your civility, someone else alerted me to the matter in a much harsher manner... If you see anything else that needs fixing, just let me know. Sbrools (talk . contribs) 02:21, 27 May 2007 (UTC)

Awesome man, good work on all your contribs. New structures look great. We're all in on this together, seems only logical to keep things civil. Keep it easy man. Ccroberts( t · c · g ) 17:54, 27 May 2007 (UTC)

QUTEMOL

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You need to go back and revise the GNU license to include the fact that you made the molecule using qutemol program. That is in keeping with the software designers wishes as per the license agreement. I am speaking specifically of this: http://en.wikipedia.org/wiki/Image:Piracetam3d.png

Please refer to the Qutemol citiation rescource: http://qutemol.sourceforge.net/docs/howToCite.html

Thanks,

Microswitch 04:55, 30 July 2007 (UTC)


PS: Apologies: saw that you already included the qutmol ref. No problem. From Jamica to the world, it's just love.


Accelrys

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Hello Ccroberts. Always glad to have a keen interest in chemistry working on the pages around here. Accelrys is a chemistry modeling program that allows you to translate SMILES input into nice space filling molecules, save the files, and then convert them into whatever format Qutemol does. Well, that's the way my process works in a nutshell. Accelrys is free to use, you have to fill out a form however. I think it's a good, simple program once you get the basics. It works well in conjunction with the Qutemol program, the latter has much better 3d visual effects and other graphical elements.

http://www.accelrys.com/

I think the program you are looking for on the site is Discovery Studio visualizer. There is a free version that you can download after jumping through some hoops on the site. I think you are working on a MAC so using it might be problematic unless you have some good Windows emulation going on.

Ok, let me know if I can help.

Microswitch 22:45, 30 July 2007 (UTC)

Good work

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I just want to commend you on your contribution of 3D chemical structure images, as I think they look very good and add a touch of class to the articles. Keep up the good work! --Mark PEA 19:56, 31 July 2007 (UTC)

3D Structure of Phenothiazine

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Thanks for adding the 3D structure of Phenothiazine to the Phenothiazine article. It makes the article look so much better. I hope you will do this to as many other articles as possible. Keep up the ourstanding work!!! Dr CareBear 09:36, 9 August 2007 (UTC)

Thank you! I appreciate your words very much. Please drop me another line here on my talk page if you have any pages in mind in particular that you feel would benefit from a 2d or 3d structure. Thanks again ;] (Ccroberts( t · c · g ) 16:09, 9 August 2007 (UTC))

Yes, please add 3D structures of the antipsychotic drugs listed below. Do you also know how to make animated 3D structure immages? I saw one on the LSD article and it was so nice. Dr CareBear 02:36, 10 August 2007 (UTC)

Butyrophenone, Olanzapine, Aripiprazole, Amisulpride, Risperidone, Quetiapine, Ziprasidone, Pimozide, Chlorpromazine, Promazine, Triflupromazine, Levomepromazine, Methotrimeprazine, Mesoridazine, Thioridazine, Fluphenazine, Perphenazine, Flupentixol, Prochlorperazine, Trifluoperazine, Chlorprothixene, Thiothixene, Zuclopenthixol, Benperidol, Melperone, Droperidol, Tetrabenazine

Sure, these look like some good ones. I can make 3d animations of molecules just like the LSD image, as I use the same application, however, it has been discussed whether or not animations should be included on chemical/pharmacuetical pages, and the consensus seems to be to not include them, so I tend to stay away from placing them on pages. (Ccroberts( t · c · g ) 15:15, 10 August 2007 (UTC))

If not an animated image then just the 3D image would be great. I do not know why the concensus seems to be against animated 3D images. 3D images are so nice and they help in understanding the 3D structure so well. Dr CareBear 06:23, 18 August 2007 (UTC)

I went through and added several 3d structures to the above list. I didn't create several due to the size of the molecular structures, as the 3d structures would be very small due to shrinking etc. if you do come across any other pages that you'd like to see 3d images on, let me know! (Ccroberts( t · c · g ) 16:46, 18 August 2007 (UTC))

Thanks so much for adding the 3D structures you have, they look so nice and make the webpages look so much better. Keep up the good work. It would be nice if you could add 3D structures to the remaining articles above. PLEASE? You deserve an award like a star for your efforts but I do not know how to give another user one of the wikipedia users a star. Can you tell me how this is done and I will certainly return and give you a star reward. Thanks for adding those and PLEASE add 3D structures for the rest of them. I know it must be a lot of work but you are making the world wide web so much better because Wikipedia articles come to the top of the search in Yahoo powered search engines and probably other search engines also. Dr CareBear 06:26, 5 September 2007 (UTC)

I like your style

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You have been very active in the molecule making department. It's easy to input SMILES from Pubchem and then extract to Qutemol yes? Very excellent work, I look forward to seeing what else you stumble upon. I am a chemistry student myself. I very much enjoy the computational rendering now freely available to the public. I'd love to chat sometime about this or that. I think the benzodiazapenes have potential in reversing the acute effects of THC habituation, however my evidence so far is anecdotal. I speculate that THC substitutes for or attenuates GABA, hence the theraputic effects/potential of the benzo class.

Keep up the awesome work!

Microswitch 16:09, 24 August 2007 (UTC)

Microswitch says Thanks so much!

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I really appreciate your user page template. I've switched, and it looks awesome. You are one heck of a bad ass wikipedian. We have similar interest. I tip my hat to you.

A synergy between THC and Amphetamine salts? Attenuated by Modafanil? These are some ideas. —Preceding unsigned comment added by Microswitch (talk • contribs) 03:50, August 25, 2007 (UTC)

WikiProject Pharmacology Collaboration of the Week

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WikiProject Pharmacology is currently organizing a new Collaboration of the Week program, designed to bring drug and medication related articles up to featured status. We're currently soliciting nominations and/or voting on nominations for the first WP:RxCOTW, to begin on September 5, 2007. Please stop by the Pharmacology Collaboration of the Week page to participate! Thanks! Dr. Cash 17:47, 1 September 2007 (UTC)

3D Mol Request

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Hey buuuuddyy!

Do us a favor and make a Bromo-DragonFLY 3D mol? Pweeeze?

Miserlou 03:52, 4 September 2007 (UTC)

Cheers ;p Lemme know if there's any others (Ccroberts( t · c · g ) 04:14, 4 September 2007 (UTC))
Hey Ccroberts, the bromine in your structure has a wrong size - it is way too small. It also looks like all other radii are too small, the standard is the van der Waals radius. Could you please correct that - thanks, Cacycle 13:57, 4 September 2007 (UTC)
Thanks for pointing that out Cacycle. There seems to be some kind of error in QuteMol's sizing of the halogens. I hadn't noticed so i appreciate it. I'll send a note to the developers and see what I can get rolling. Until then the small bromine will have to stick around for a sec ;p unless you feel it is imperative to take it down? (Ccroberts( t · c · g ) 03:03, 6 September 2007 (UTC))

ganesha

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Thanks so much, looks great! If you're taking requests, I'd really like to see Ganesha_(psychedelic) with a 3d mol. Also, I don't even know if this is possible, but if you're feeling ambitious, perhaps it would be possible to show molecular interaction in 3D/in motion (perhaps between 5-HT and a receptor cite?). Just a thought. You're a great wikipedian! Miserlou 20:25, 5 September 2007 (UTC)

Endadoline and GBL

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Hey friend, next time you feel like making some of those great 3D mols, how about doing enadoline and GBL? I'm trying to improve those articles. Ta! Miserlou (talk) 00:24, 19 November 2007 (UTC)

Sounds like a plan. I just read about enadoline a few days ago and threw that structure up. I found a cool reference to it too, comparing its pharmacological binding to SalvinorinA and some synthetic that is very similar to enadoline structurally. Check it out: here! Theres one really cool image that i pulled the structure for enadoline off of. (Ccroberts( t · c · g ) 01:35, 19 November 2007 (UTC))

Pharmacology Collaboration of the Week

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Aspirin has been selected as this week's Pharmacology Collaboration of the Week! Please help us bring this article up to featured standards during the week. The goal is to nominate this at WP:FAC on September 10, 2007.

Also, please visitWP:RxCOTW to support other articles for the next COTW. Articles that have been nominated thus far include Doxorubicin, Paracetamol (in the lead with 4 support votes so far), Muscle relaxant, Ethanol, and Bufotenin.

In other news:

  • The Wikipedia:WikiProject Pharmacology main page has been updated and overhauled, to make it easier to find things, as well as to highlight other goals and announcements for the project.
  • Fvasconcellos notes that discussion is ongoing regarding the current wording of MEDMOS on including dosage information in drug articles. All input is welcome.

Dr. Cash 00:44, 5 September 2007 (UTC)

WikiProject Pharmacology Update

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Here's a brief update in some of the recent developments of WikiProject Pharmacology!

  • Aspirin has just completed its two week run as the first Collaboration of the Week! Many thanks to those editors that contributed; the article got a lot of good work accomplished, and in particular, much work was done in fixing up the history section. It's still not quite "done" yet (is a wikipedia article really ever done?), but after two weeks I think it's more important to push onwards with the development of the new collaboration of the week program. I will be fixing up Aspirin in the next few days and possibly nominating it for either GA or FA status.
  • Please remember that Wikipedia is not a forum for discussing or dispensing medical advice amongst users. Specifically, talk pages of articles should only be used to discuss improving the actual article in question. To help alleviate this situation, the template {{talkheader}} may be added to the top of talk pages, reminding users of the purpose of such pages. Additionally, unsigned comments and comments by anonymous users that are inappropriate may be removed from talk pages without being considered vandalism.

You are receiving this message because you are listed as one of the participants of WikiProject Pharmacology.

Dr. Cash 05:02, 19 September 2007 (UTC)


WIN55212-2 Structure

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Noticed you changed the structure of WIN55212-2 back to the old version. I changed the structure to match the one on PubChem, which shows the naphthalene ring joined by the 2-position, and I have two documents on me that show the structure ("In Vitro Metabolism of R(+)-[2,3-Dihydro-5-methyl-3-[(morpholinyl)methyl]pyrrolo [1,2,3-de]1,4-benzoxazinyl]-(1-naphthalenyl) methanone mesylate, a Cannabinoid Receptor Agonist. Drug Metabolism and Disposition, 30(10):1077-1086, 2002.", and "Aminoalkylindole Analogs: Cannabimimetic Activity of a Class of Compounds Structurally Distinct from delta9-Tetrahydrocannabinol. Journal of Pharmacology and Experimental Therapeutics, 263(3):1118-1126, 1992") which both also show it attached at this position. But then the chemical name in the title of the first paper says 1-Naphthalenyl, which indicates that its joined at the 1-position! So looks like there is a conflict between sources. Is there any definitive source for the structure, do you have access to the CAS registry or anything? I've got a paper copy of the original synthesis somewhere but its in storage and I'm away at uni at the moment...Meodipt 09:25, 28 September 2007 (UTC)

I had the numbering of the naphthalene ring system wrong, that structure I put up was definitely correct so I shall amend the page as appropriate. I shall draw a high quality svg structure rather than reinstating that crappy png though. Meodipt 11:48, 28 September 2007 (UTC)

Cool, will update the 3d image appropriately :] Thanks for the info. (Ccroberts( t · c · g ) 18:12, 28 September 2007 (UTC))

Tramadol Structure

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Sorry to be pedantic, but strictly speaking its not correct to draw tramadol as a single enantiomer, as both the (+) and (-) isomers are important in the therapeutic action of this drug. To quote from the Journal of Pharmacology and Experimental Therapeutics #126052;

"Tramadol is an atypical, racemic opioid that combines weak MOR activation with inhibition of 5-HT and NE reuptake (Raffa et al., 1992). This combination of complementary mechanisms of action results in potent analgesic activity. However, the underlying molecular basis of this effect is complex. Tramadol is metabolized to an active O-desmethyl-metabolite (Lintz et al.,1981). Both enantiomers and the O-desmethyl-metabolite are involved in the analgesic activity (Raffa et al., 1993) because NE reuptake inhibition resides mainly in the (-)-enantiomer and 5-HT reuptake inhibition in the (+)-enantiomer of the parent compound, whereas MOR agonistic activity resides in the (+)-enantiomer of O-desmethyl-tramadol and to a lesser degree in (+)-tramadol itself (Frink et al., 1996). Thus, the relative contribution of the different mechanisms of action to the overall analgesic effect changes over time. As the parent molecule is metabolized, the contribution of 5-HT and NE reuptake inhibition is reduced while the contribution of MOR agonism increases, resulting in a complex time- and metabolism-dependent pattern of pharmacological activities."

So really the structure of Tramadol should be racemic, to reflect whats in the drug. Meodipt 12:20, 28 September 2007 (UTC)

Yes, I understand the nature of the drug, and will make the structural image more appropriate. (Ccroberts( t · c · g ) 18:14, 28 September 2007 (UTC))

3D pinazepam image

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This image is slightly incorrect. It has a methyl group where there should be a chlorine. I'm removing it for the time being - if you could make another, it'd be greatly appreciated. Fuzzform 03:25, 23 October 2007 (UTC)

oops! will correct (Ccroberts( t · c · g ) 05:16, 23 October 2007 (UTC))

WikiProject Pharmacology Update

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Here are a few updates in the realm of WikiProject Pharmacology:

  • The Pharmacology Collaboration of the Week has been changed to Collaboration of the Month, based on current participation levels. It is also more likely that articles collaborated on for one month are more likely to achieve featured quality than articles worked on for only a week or two.

Dr. Cash 22:06, 31 October 2007 (UTC)

QuteMol and ambient Occlusion

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Hi, I am one of the QuteMol authors and I am quite happy of seeing some one so intensively using QuteMol! My Kudos to your work :) .

A small suggestion on the style. Why do you not include a bit of ambient occlusion in your QuteMol based rendering? I (and many others too :) ) think that it helps a lot in clarifying the spatial structures of the molecules...

Not too much, just a bit like this.
You see the darker shade between the foremost white small sphere and the gray one, helps to understand that the white one is nearer to the observer.

ALoopingIcon 08:18, 11 November 2007 (UTC)

Re: Image Removal (Taylor_Roberts.jpg)

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Hi! If the subject wants her picture on Wikipedia, she has to release it under a free license, such as the GFDL or CC-BY-SA. There's a guide on requesting permission at User:Videmus Omnia/Requesting free content, I can help you out with this also. Good luck! east.718 at 03:50, December 27, 2007

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