From owner-structural-nmr@net.bio.net Sun Feb 02 22:00:00 1997 Path: biosci!anti.irkutsk.su!krivdin From: krivdin@anti.irkutsk.su ("Leonid B. Krivdin") Newsgroups: bionet.structural-nmr Subject: unsubscribe Date: 2 Feb 1997 21:13:47 -0800 Organization: ANGARSK TECHNOLOGICAL INSTITUTE Lines: 2 Sender: daemon@net.bio.net Distribution: world Message-ID: NNTP-Posting-Host: net.bio.net UNSUBSCRIBE From owner-structural-nmr@net.bio.net Mon Feb 03 22:00:00 1997 Path: biosci!CHEM.ROCHESTER.EDU!krugh From: krugh@CHEM.ROCHESTER.EDU ("Thomas R. Krugh") Newsgroups: bionet.structural-nmr Subject: Postdoctoral Position Available Date: 4 Feb 1997 14:40:07 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 38 Sender: daemon@net.bio.net Distribution: world Message-ID: NNTP-Posting-Host: net.bio.net Postdoctoral position(s) available: I have a postdoctoral position open in my laboratory for NMR based structural studies on three systems. Two of the projects involve DNA oligomers, while the third project involves RNA oligomers. These NMR-derived structural projects include studies on: (1), DNA oligomers containing aminofluorene and acetylaminofluorene modified guanines in a variety of contexts; (2), in collaboration with Christopher Lawrence, we are determining the structure of thymine photoadducts embedded within a DNA duplex; and (3), in collaboration with Douglas Turner we are studying the structures of RNA oligomers. A Varian UnityINOVA 500 MHz NMR spectrometer is available to support these projects. Applicants should send a Resume (either by E-mail attachment) or regular mail, and arrange to have at least two, and preferrably, three letters of recommendation sent to me on their behalf. One position is available now, and a second position is available later this year. Thomas R. Krugh _________________________________________________________________________ Thomas R. Krugh Krugh@chem.rochester.edu Department of Chemistry Phone: (716) 275-4224 University of Rochester FAX: (716) 473-6889 Rochester, NY 14627 _________________________________________________________________________ From owner-structural-nmr@net.bio.net Mon Feb 03 22:00:00 1997 Path: biosci!agate!howland.erols.net!worldnet.att.net!arclight.uoregon.edu!netnews.nwnet.net!netra.oscs.montana.edu!usenet From: Dawit Gizachew Newsgroups: bionet.structural-nmr Subject: program for drawing NMR pulse sequence Date: Mon, 03 Feb 1997 17:08:16 -0700 Organization: Montana State University Lines: 6 Message-ID: <32F67DF0.794B@nmr0.chemistry.montana.edu> NNTP-Posting-Host: nmr0.chemistry.montana.edu Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 3.0 (X11; I; IRIX 5.3 IP22) Please let me know if there is any special program for drawing NMR pulse sequence (complicated one) for a manuscript. -- Dawit ****************************************************************************** From owner-structural-nmr@net.bio.net Tue Feb 04 22:00:00 1997 Path: biosci!LEARNLINK.EMORY.EDU!Shaoxiong_Wu From: Shaoxiong_Wu@LEARNLINK.EMORY.EDU (Shaoxiong Wu) Newsgroups: bionet.structural-nmr Subject: Re: NMR Systems Needed Date: 5 Feb 1997 10:33:56 -0800 Organization: LearnLink at Emory University in Atlanta, GA Lines: 10 Sender: daemon@net.bio.net Distribution: world Message-ID: References: <3.0.32.19970205115905.006ef2c4@mrr.com> NNTP-Posting-Host: net.bio.net Jon: Our wp200 retired last year, I still keep some working boards and probes. If you need any of them please let me know. Shaoxiong wu, Ph.D. Director, NMR Center Emory University 404-727-6621 From owner-structural-nmr@net.bio.net Tue Feb 04 22:00:00 1997 Path: biosci!rutgers!gatech!csulb.edu!hammer.uoregon.edu!hunter.premier.net!www.nntp.primenet.com!nntp.primenet.com!rill.news.pipex.net!pipex!oleane!pasteur.fr!jussieu.fr!univ-angers.fr!ciril.fr!u-strasbg.fr!news From: Kieffer Bruno Newsgroups: bionet.structural-nmr Subject: NMR school announcement Date: Wed, 05 Feb 1997 19:05:28 +0100 Organization: CRC - Universite Louis Pasteur - Strasbourg France Lines: 18 Message-ID: <32F8CBE8.446B@bali.u-strasbg.fr> NNTP-Posting-Host: bali.u-strasbg.fr Mime-Version: 1.0 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: quoted-printable X-Mailer: Mozilla 2.01 (X11; I; AIX 2) Advanced Study Institute of Structural Biology and Magnetic Resonance : "Protein Dynamics, Function and Design" Erice, Sicily, April 16-18, 1997 You may have informations on the Web : http://cmgm.stanford.edu/SMRL/Erice97.html You may ask for more informations. Sincerely, J.F. Lefevre. Jean-Francois Lefevre CNRS UPR9003, ESBS, Universit=E9 Louis Pasteur Bd Brant, F-67400 Illkirch Graffenstaden Tel : (33) 03 88 65 52 69 Fax : (33) 03 88 65 52 62 e-mail : Lefevre@bali.u-strasbg.fr From owner-structural-nmr@net.bio.net Tue Feb 04 22:00:00 1997 Path: biosci!MRR.COM!jon From: jon@MRR.COM (Jon Webb) Newsgroups: bionet.structural-nmr Subject: NMR Systems Needed Date: 5 Feb 1997 10:12:50 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 52 Sender: daemon@net.bio.net Distribution: world Message-ID: <3.0.32.19970205115905.006ef2c4@mrr.com> NNTP-Posting-Host: net.bio.net MR Resources is anxious to purchase your late model NMR systems. If you have mid to high field NMR spectrometers which are under used or about to be traded in for newer systems, please contact us. We can offer the highest possible prices for these systems, and will pay you CASH which you can immediately put to good use elsewhere in your lab. We then resell these systems to those scientists in small underfunded organizations who are otherwise not getting needed access to NMR equipment. If you are not ready to part with a spectrometer at the current time, MR Resources can still purchase your system now and lease it back to you. This will do two very important things for you: 1. Put a substantial amount of cash in your hands NOW which can then be used for other projects. All you do is make a reasonable monthly lease payment for whatever period of time you need the instrument for. We come in and remove the machine at the end of the lease. 2. When you are ready to go to a new machine at the end of the lease period, you will already know that you won't have to worry about disposing of the equipment, or worse, negotiating a trade in with the manufacturer. In summary, we will purchase your NMR system now for cash and remove it right away, or lease it back to you for as long as you need to use it. This offer is being made to organizations world wide. With everyone's budgets as tight as they are, and other scientists in small organizations truly in need of NMR systems, please consider our novel concept. Everyone will be a winner! Best regards, Jon ____________________________________________________________________________ ________ Jon Webb M R Resources, Inc Remanufactured NMR & MRI Systems, Parts and Services 158 R Main Street P.O. Box 880 Gardner, MA 01440 Voice: 508-632-7000 Fax: 508-630-2509 Email: jon@mrr.com Web Site: http://www.mrr.com ____________________________________________________________________________ ________ From owner-structural-nmr@net.bio.net Thu Feb 06 22:00:00 1997 Path: biosci!agate!spool.mu.edu!uwm.edu!newsfeeds.sol.net!newspump.sol.net!howland.erols.net!newsxfer3.itd.umich.edu!portc01.blue.aol.com!newsstand.cit.cornell.edu!NewsWatcher!user From: rse1@cornell.edu (Rob Egan) Newsgroups: bionet.structural-nmr Subject: assignment Date: Thu, 06 Feb 1997 20:39:59 -0400 Organization: Cornell University Lines: 6 Sender: cw52@cornell.edu (Verified) Message-ID: NNTP-Posting-Host: 132 Hi, I am doing an assignment using HSQC(NH-N correlation), hbcbcaconh, hnca, hncacb. I am stuck and it is driving me crazy. I am doing it manually. If you can give me any suggestion or information about new computer programs, I will be very happy. Please email to cw52@cornell.edu Chunyu From owner-structural-nmr@net.bio.net Fri Feb 07 22:00:00 1997 Path: biosci!lldmpc.dnet.dupont.com!domailpj From: domailpj@lldmpc.dnet.dupont.com Newsgroups: bionet.structural-nmr Subject: Post-doctoral position in macromolecular NMR Date: 8 Feb 1997 14:22:37 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 32 Sender: daemon@net.bio.net Distribution: world Message-ID: <9702082223.AA11721@esds01.es.dupont.com> NNTP-Posting-Host: net.bio.net POSTDOCTORAL FELLOW MACROMOLECULAR NMR GROUP DU PONT MERCK PHARMACEUTICAL COMPANY WILMINGTON, DE Applications are invited for a Ph.D. level person to join our dedicated group aimed at studying the structure and function of biological macromolecules by NMR, and their interactions with potential therapeutics. We are part of a structural biology group with close collaboration and interactions with X-ray crystallography, molecular modeling, and the University of Cambridge NMR group. We have excellent capabilities for structural biology research with well-equipped wet biochemistry laboratories, modern computational resources and two 600 MHz spectrometers with a new facility under construction designed to accommodate an 800 MHz spectrometer. We are seeking a person with training and expertise in one or more of the following areas with the incentive and desire to broaden their skills in others: molecular biology/biochemistry, structure determination, dynamics, high resolution NMR and methods development. Wilmington offers a favorable mid-Atlantic location with easy access to major metropolitan areas. Interested persons should contact either: Peter J. Domaille Sharon J. Archer DuPont Merck Pharmaceutical Company DuPont Merck Pharmaceutical Company Experimental Station E328/B50 Experimental Station E328/B49 Wilmington, DE 19880-0328 Wilmington, DE 19880-0328 Phone (302) 695-4916 (302) 695-4151 FAX (302) 695-1128 (302) 695-1128 email: domailpj@a1.lldmpc.umc.dupont.com archersj@a1.lldmpc.umc.dupont.com domailpj@lldmpc.dnet.dupont.com From owner-structural-nmr@net.bio.net Sun Feb 09 22:00:00 1997 Path: biosci!CASPUR.IT!r.ragno From: r.ragno@CASPUR.IT (Gianluca Sbardella) Newsgroups: bionet.structural-nmr Subject: Mailinglist for organic chemistry? (fwd) Date: 9 Feb 1997 23:40:48 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 105 Sender: daemon@net.bio.net Distribution: world Message-ID: NNTP-Posting-Host: net.bio.net Dear Netters, I'm forwarding the following message to a few Mailing lists. I apologise for the repetition, but I believe someone will find it useful. Bye, Gianluca Sbardella *************************************************************** * * * Dr. Gianluca Sbardella E-mail: r.ragno@caspur.it * * Dip. Studi Farmaceutici * * Universita' "La Sapienza" Phone: 39-6-49913814 * * P.le A. Moro, 5 Fax: 39-6-491491 * * 00185 Roma * * ITALY * * * * * * "Il destino e' quel che e', non c'e' scampo piu' per me.." * * (Gene Wilder, "Frankenstein Junior") * * * * * *************************************************************** ---------- Forwarded message ---------- Date: Sun, 09 Feb 1997 00:20:00 -0100 From: Ralph Puchta To: r.ragno@caspur.it, Dirk.Kessler@t-online.de, krabbem@rznovser.rz.fh-osnabrueck.de, natural@imap1.asu.edu, david.bostwick@chemistry.gatech.edu Cc: "Matthias Gr=3D?iso-8859-1?Q?=3DE4ter (GWUP)" , puchta@gwup.org?=3D Subject: Mailinglist for organic chemistry? Hello, there were two discussions on the net during the last weeks. a) Is the mailinglist OrgChem still "alive"? b) How can we get a group sci.chem.organic? As both tools should do the same job, why not trying to get a new mailing= =20 list -=20 that is easier and faster as creating a newsgroup. After talking to the GWUP=B4s chairman, I got the permission that a free=20 unmoderated mailing list for orcanic chemistry may be created at the GWUP=B4s server,= =20 if there is enough interest.=20 How could we start? Please, if you are interested in this mailing list write an e-mail to me. puchta@gwup.org The GWUP=B4s sysop will add your address.=20 What idees do you have? Please let me know your wishes, it will be OUR=20 mailinglist. - I think the language should be English, or would German be possible?=20 - What name should it get? oc@gwup.org OrgChem@gwup.org Org.Chem@gwup.org organic@gwup.org - Should we restrict the subjects to synthetic questions? I would prefer=20 no. - ??? Please share this information with your friends, perhaps they are=20 interested, too. If this list will work, or not, it depends on us. :-) =20 I am shure you wonder, who the GWUP is. The GWUP is the German sceptical=20 society,=20 for more informations please try http://www.gwup.org. Many greetings from Bavaria=20 Ralph Puchta=20 (Puchta@GWUP.org) "I know that I will never be politically correct. I don't give a damm about my lack of etiquette." Cascade: http://www.mi.uni-erlangen.de/~dosche/casihp.htm GWUP: http://www.gwup.org NAA: http://www.naa.net From owner-structural-nmr@net.bio.net Tue Feb 11 22:00:00 1997 Path: biosci!agate!howland.erols.net!newspump.sol.net!newsfeeds.sol.net!hammer.uoregon.edu!news.icm.edu.pl!uw.edu.pl!news.nask.pl!news.free.net!newsmaster From: "Ananikov V.P" Newsgroups: bionet.structural-nmr Subject: I-127 NMR info Date: Tue, 11 Feb 1997 20:22:09 -0800 Organization: IOCh Lines: 29 Distribution: world Message-ID: <33014571.376E@nmr1.ioc.ac.ru> NNTP-Posting-Host: nmr-v.ioc.ac.ru Mime-Version: 1.0 Content-Type: text/plain; charset=iso-8859-1 Content-Transfer-Encoding: 8bit X-Mailer: Mozilla 3.0Gold (Win16; I) Hi! Does anyone know if it is possible to detect iodine ion in nonaqueous solutions by I-127 NMR? As I have read the reference compound is NaI(aq). Unfortunately I can’t find the information about chemical shift range and any other examples excepting NaI. Could anyone send me the references concerning this subject? I will appreciate receiving any information about I-127 NMR. Thank you in advance. Sincerely, Ananikov V.P. Valentin P. Ananikov NMR Laboratory N.D. Zelinsky Institute of Organic Chemistry Leninsky Prospect 47 Moscow 117913 Russia e-mail: val@nmr1.ioc.ac.ru Fax (095) 135 5328 Phone (095) 135 9094 From owner-structural-nmr@net.bio.net Tue Feb 11 22:00:00 1997 Path: biosci!rutgers.rutgers.edu!uwm.edu!newsfeeds.sol.net!hammer.uoregon.edu!zephyr.texoma.net!uunet!in2.uu.net!192.174.65.41!01-newsfeed.univie.ac.at!03-newsfeed.univie.ac.at!mail.boku.ac.at!news From: Andreas HOFINGER Newsgroups: bionet.structural-nmr Subject: research position available Date: Wed, 12 Feb 1997 14:06:28 +0100 Organization: BOKU Wien Lines: 20 Message-ID: <3301C054.150F@mail.boku.ac.at> Reply-To: andreas@mail.boku.ac.at NNTP-Posting-Host: 141.244.231.61 Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 3.0Gold (Win95; I) The research group Organic Chemistry of the Institute of Chemistry at the Universitaet fuer Bodenkultur Wien - University of Agricultural Sciences Vienna offers a position as research assistent (substitute position) to undertake studies in the synthetic carbohydrate area. This position is available with May 1st, 1997. Candidates should have a solid background in organic synthesis and NMR-spectroscopy, preferably with experience in carbohydrate chemistry and structural analysis. Strong computational skills are a bonus. The research assistant will work with other members in a small group pursuing projects on the synthesis and structural analysis of complex carbohydrate antigens. Beside the research topics listed above there are some teaching duties in lab courses for analytical chemistry and biochemistry. Please adress enquiries to: Prof.Dr.Paul KOSMA, email:pkosma@edv2.boku.ac.at Institute of Chemistry University of Agricultural Sciences Vienna Muthgasse 18 A-1190 Vienna Austria From owner-structural-nmr@net.bio.net Tue Feb 11 22:00:00 1997 Path: biosci!OPAL.TUFTS.EDU!akuliopu From: akuliopu@OPAL.TUFTS.EDU (Athan Kuliopulos) Newsgroups: bionet.structural-nmr Subject: NMR/Signal Transduction Postdoc Avail Date: 12 Feb 1997 15:39:30 -0800 Organization: Tufts-NEMC Lines: 48 Sender: daemon@net.bio.net Distribution: world Message-ID: <3302683B.51F4@opal.tufts.edu> Reply-To: Department@nemc.org, of@nemc.org, Medicine@nemc.org, Box@nemc.org, 832@nemc.org, 750@nemc.org, Washington@nemc.org, St.@nemc.org, Boston@nemc.org, MA@nemc.org, 02111@nemc.org NNTP-Posting-Host: net.bio.net Postdoctoral Position Available Center of Hemostasis and Thrombosis Research Tufts University School of Medicine-NEMC Boston, MA We have an immediate opening for a Postdoctoral Fellow to work in the field of molecular signaling and peptide-protein recognition. The project focuses on the human thrombin receptor. The thrombin receptor is activated by thrombin cleavage of the receptor exodomain and exposure of an N-terminal tethered ligand that binds to the body of the receptor. Receptor activation precipitates complex signaling events culminating in platelet aggregation, wound healing, and cellular proliferation. Since chronic activation of the receptor may lead to coronary artery disease, stroke, and other vascular diseases, preventing thrombin receptor activation is of pharmacologic interest. NMR structural studies of the thrombin receptor exodomain in activated and resting forms are currently in progress and a preliminary structure has been generated for the activated exodomain. Future projects include solving the structure of the exodomain complexed with extracellular loops and the mechanism of substrate-assisted domain cleavage by thrombin. Insight into the molecular interactions between the exodomain and the body of the receptor should provide leads for the development of novel anti-thrombotic agents. The laboratory is located within the Center of Hemostasis and Thrombosis Research, a modern, state-of-the-art facility with a staff of 20 investigators including technical support. The NMR facility is located in the Medical School Biochemistry Department and current instrumentation include 500 MHz and 400 MHz magnets along with several SGI workstations. Our lab has an close collaboration with NMR spectroscopist, Dr. James Baleja, who provides additional technical expertise. Qualifications for this position are a Ph.D. degree and US citizenship or permanent residency. Candidates with training in NMR who would like to acquire expertise in molecular biology are encouraged to apply. Interested candidates should e-mail a description of their research interests, a CV, and names of three references to: Athan Kuliopulos, MD., Ph.D. Assistant Professor Departments of Medicine and Biochemistry Tufts-NEMC Box 832 750 Washington Street Boston, MA 02111 617-636-5650 617-636-4833 (fax) akuliopu@opal.tufts.edu From owner-structural-nmr@net.bio.net Tue Feb 11 22:00:00 1997 Path: biosci!daresbury!nntp-trd.UNINETT.no!nntp.uio.no!www.nntp.primenet.com!nntp.primenet.com!howland.erols.net!rill.news.pipex.net!pipex!uunet!in1.uu.net!130.64.5.13!news.tufts.edu!usenet From: Christoph Steinbeck Newsgroups: bionet.structural-nmr Subject: Linear Prediction Date: Wed, 12 Feb 1997 15:49:10 -0500 Organization: Dep. of Chemistry, Tufts University, Medford Lines: 24 Message-ID: <33022CC6.1CFB@microvirus.chem.tufts.edu> NNTP-Posting-Host: microvirus.chem.tufts.edu Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 3.01Gold (X11; I; IRIX 5.3 IP22) Hi out there, while playing around with the processing of some 2D spectra (ROESY, TOCSY) I was wondering about the difference in application of a regular zero filling in f1 and a linear predictive expansion of f1. Regardless of the problems of the choice of parameters, I would think that one should apply this LP procedure after having done ft in f2, because it seems to me that only then the fids in f1 direction are "visible" and thus further predictable. Is this pointless, naive or what? :-) Any hints, thoughts appreciated. Greetings, Chris -- Dr. Christoph Steinbeck - PGP available on my homepage mailto:stein@microvirus.chem.tufts.edu - http://www.tufts.edu/~csteinbe/ Dep. of Chemistry, Tufts Univ., 62 Talbot Ave., Medford, MA 02155, USA Phone: int + (617) 627-3881 FAX: int + (617) 627-3443 *** Windows 95 - from the people who brought you edlin *** From owner-structural-nmr@net.bio.net Wed Feb 12 22:00:00 1997 Path: biosci!rutgers.rutgers.edu!uwm.edu!newsfeeds.sol.net!news.maxwell.syr.edu!cam-news-hub1.bbnplanet.com!news.bbnplanet.com!howland.erols.net!rill.news.pipex.net!pipex!oleane!pasteur.fr!jussieu.fr!not-for-mail From: Michel SEIGNEURET Newsgroups: bionet.structural-nmr Subject: Re: Linear Prediction Date: 13 Feb 1997 09:09:45 GMT Organization: Universites Paris VI/Paris VII - France Lines: 18 Message-ID: <5dulop$dq7$1@vishnu.jussieu.fr> References: <33022CC6.1CFB@microvirus.chem.tufts.edu> NNTP-Posting-Host: mood.biophy.jussieu.fr Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 1.1N (X11; I; IRIX 5.3 IP20) X-URL: news:33022CC6.1CFB@microvirus.chem.tufts.edu Here is an exerpt of the manual entry for linear prediction in the fantastic NMRPipe software by Frank Delaglio (NIH, NIDDKD, Bethesda): "LP will work best when the time-domain vectors to extend have the fewest possible signals. In order to achieve this, all of the other dimensions of the spectrum should be Fourier Transformed first; this will localize the spectral signals in the transformed dimensions and simplify the remaining time-domain dimension. This means that inverse processing schemes will be required for cases where LP will be used in two of the spectral dimensions." I hope this helps (thank Frank, not me !). Michel M. Seigneuret Lab. de Biophysique Cellulaire et RMN Universite Paris 7 France From owner-structural-nmr@net.bio.net Wed Feb 12 22:00:00 1997 Path: biosci!sfu.ca!dnaugler From: dnaugler@sfu.ca (David Naugler) Newsgroups: bionet.structural-nmr Subject: Re: Linear Prediction Date: 12 Feb 1997 18:53:07 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 34 Sender: daemon@net.bio.net Distribution: world Message-ID: <199702130253.CAA21990@beaufort.sfu.ca> References: <33022CC6.1CFB@microvirus.chem.tufts.edu> NNTP-Posting-Host: net.bio.net > > Hi out there, > > while playing around with the processing of some 2D spectra (ROESY, > TOCSY) I was wondering about the difference in application of a regular > zero filling in f1 and a linear predictive expansion of f1. Regardless > of the problems of the choice of parameters, I would think that one > should apply this LP procedure after having done ft in f2, because it > seems to me that only then the fids in f1 direction are "visible" and > thus further predictable. It is not quite true to say that FIDs in the t1 dimension are only "visible" after FT in f2. They are more "visible" then because the FIDs appear as modulations in the t1 dimension of resonances in the f2 dimension. I think you will gain in numerical efficiency by first doing FT in f2 and that may produce better results. If numerical efficiency does not interest you and you have some extra time, you might find it interesting to compare the results form both. If you wanted to do linear prediction in t2 first, you would probably not FT t1 first, although some do advocate this approach along with the use of inverse FT back to the time domain. Personally, I would be concerned with numerical stability and round off error. In my opinion a lot of the ideas used appear to be empirical. So no harm will be done if you go with the flow and do some numerical experiments. On the other hand you might note that it doesn't take much longer to collect more t1 increments in 2D, in which case linear prediction is unnecessary. Linear prediction and especially the Burg algorithm does not predict data nearly as well as direct measurement. David Naugler Institute of Molecular Biology and Biochemistry Simon Fraser University From owner-structural-nmr@net.bio.net Wed Feb 12 22:00:00 1997 Path: biosci!servaly.hobby.nl!wybo From: wybo@servaly.hobby.nl ("Wybo H. Dekker") Newsgroups: bionet.structural-nmr Subject: Re: I-127 NMR info Date: 13 Feb 1997 03:31:32 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 23 Sender: daemon@net.bio.net Distribution: world Message-ID: <199702131012.LAA00839@servaly.hobby.nl> References: <33014571.376E@nmr1.ioc.ac.ru> NNTP-Posting-Host: net.bio.net > Does anyone know if it is possible to detect iodine ion in nonaqueous > solutions by I-127 NMR? From C. Brevard and P.Granger, "Handbook of High Resolution Multinuclear NMR": 5.67 molar KI in water measured at 2.114 Tesla, 1000 scans, 20 Hz filter, resonance frequency 20.0086 of 1H: linewidth 1800 Hz, S/N=10. If you need more details, please ask. > > As I have read the reference compound is NaI(aq). Unfortunately I can’t > find the information about chemical shift range and any other examples > excepting NaI. > > Could anyone send me the references concerning this subject? > > I will appreciate receiving any information about I-127 NMR. > > Thank you in advance. > > Sincerely, > Ananikov V.P. ===================Servalys Analytical Chemistry Services================= Wybo H. Dekker | Deilsedijk 60 | tel (31)345-652164 wybo@servaly.hobby.nl | 4158 CH Deil, The Netherlands | fax (31)345-652383 From owner-structural-nmr@net.bio.net Wed Feb 12 22:00:00 1997 Path: biosci!PHOENIX.PRINCETON.EDU!ipelczer From: ipelczer@PHOENIX.PRINCETON.EDU (Istvan Pelczer) Newsgroups: bionet.structural-nmr Subject: Re: Linear Prediction Date: 13 Feb 1997 02:57:13 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 65 Sender: daemon@net.bio.net Distribution: world Message-ID: References: <33022CC6.1CFB@microvirus.chem.tufts.edu> NNTP-Posting-Host: net.bio.net Dear Christoph, The "FID"s are just as visible along t1 with or without processing t2 to F2 first. What makes the difference is, that individual vectors will carry information about all resonances in the spectrum (: no processing in t2), or only information about those which line up at one chemical shift defined by the selected vector (: t2 processed to F2). When you do LP extension, commonly four parameters have to be determined for every signal contribution: frequency, intensity, damping (linewidth), and phase. Therefore the more resonances contribute to the time domain vector you want to extend, the more acquired data points are required for reliable extension. Otherwise the problem is underdetermined. As soon as after acquisition the number of data points is given, processing all but one (which to be extended by LP) time domain dimensions to frequency is the way to reduce number of contributing resonances in each vector. LP extension is not a magic cure for all applications, the efficiency depends on factors, such as S/N, dynamic range, etc. I would recommend to take a look at the special NMR issue of Chemical Reviews (1991, No.7) where you'll find some useful papers and several references. All the best, Istvan wwww,wwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwww Istvan Pelczer, Ph.D. Email: ipelczer@princeton.edu Senior NMR Spectroscopist Princeton University Department of Chemistry, Frick Lab., ph# (609) 258 2342 Washington Road fax# (609) 258 6746 Princeton, NJ 08544, USA On Wed, 12 Feb 1997, Christoph Steinbeck wrote: > Hi out there, > > while playing around with the processing of some 2D spectra (ROESY, > TOCSY) I was wondering about the difference in application of a regular > zero filling in f1 and a linear predictive expansion of f1. Regardless > of the problems of the choice of parameters, I would think that one > should apply this LP procedure after having done ft in f2, because it > seems to me that only then the fids in f1 direction are "visible" and > thus further predictable. > Is this pointless, naive or what? :-) > > Any hints, thoughts appreciated. > > Greetings, > > Chris > -- > Dr. Christoph Steinbeck - PGP available on my homepage > mailto:stein@microvirus.chem.tufts.edu - > http://www.tufts.edu/~csteinbe/ > Dep. of Chemistry, Tufts Univ., 62 Talbot Ave., Medford, MA 02155, USA > Phone: int + (617) 627-3881 FAX: int + (617) 627-3443 > > *** Windows 95 - from the people who brought you edlin *** > > From owner-structural-nmr@net.bio.net Thu Feb 13 22:00:00 1997 Path: biosci!daresbury!not-for-mail From: Marc-Andre.Delsuc@cbs.univ-montp1.fr (M.A. Delsuc) Newsgroups: bionet.structural-nmr Subject: Re: LP algorithms Date: 14 Feb 1997 17:44:54 -0000 Lines: 37 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <5e28am$hk8@mserv1.dl.ac.uk> X-Sender: mad@tome.cbs.univ-montp1.fr Original-To: Paul Driscoll , str-nmr@dl.ac.uk >Apropos the recent discussion concerning linear prediction. I have >always had this question about the implementation of the algorithm: > >If one has a complex NMR signal (FID) the signal in each of the real and >imaginary parts is correlated whereas (presumably) a significant >component of the noise in each of the components is uncorrelated. I >believe some implementations of LP simply predict the extension of the >real and imaginary FIDs independently and recombine them in the dataset >after the fact. Since the true signal in each part of the FID is >correlated is this not throwing away some 'knowledge' that should be >used in the LP procedure? Is there such a thing as a 'complex' LP >algorithm which operates on both components of the FID simultaneously? >Do any of the available software packages take this into account? > >Or is this missing the point? >Paul It is definitely possible to design a LP algorithm which handle the signal as a complex one. This possible for LP algorithms such as BURG or matrix based ones such as SVD or HSVD. I would even say that most softwares do he implementation in complex. In Gifa (ours) for instance, only the complex form is used and real signals have to be transformed to complex one (by hilbert transform) before applying any LP. my 2 cents.. Marc _________________________________________________________________________ Marc-Andre' Delsuc Centre de Biochimie Structurale Marc-Andre.Delsuc@cbs.univ-montp1.fr Faculte de Pharmacie tel : (33) (0) 467 04 34 36 15 av, Charles Flahault fax : (33) (0) 467 52 96 23 34060 Montpellier cedex www : http://www.cbs.univ-montp1.fr FRANCE From owner-structural-nmr@net.bio.net Thu Feb 13 22:00:00 1997 Path: biosci!daresbury!not-for-mail From: Paul Driscoll Newsgroups: bionet.structural-nmr Subject: LP algorithms Date: 14 Feb 1997 15:44:18 -0000 Organization: Dept. Biochem. & Mol. Biol., UCL Lines: 21 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <5e218i$7sl@mserv1.dl.ac.uk> Original-To: str-nmr@dl.ac.uk Apropos the recent discussion concerning linear prediction. I have always had this question about the implementation of the algorithm: If one has a complex NMR signal (FID) the signal in each of the real and imaginary parts is correlated whereas (presumably) a significant component of the noise in each of the components is uncorrelated. I believe some implementations of LP simply predict the extension of the real and imaginary FIDs independently and recombine them in the dataset after the fact. Since the true signal in each part of the FID is correlated is this not throwing away some 'knowledge' that should be used in the LP procedure? Is there such a thing as a 'complex' LP algorithm which operates on both components of the FID simultaneously? Do any of the available software packages take this into account? Or is this missing the point? Paul --------------------------------------------------------------------- Paul Driscoll | Office (answer)phone: (44)-171 380 7035 Dept. Biochem. & Mol. Biol. | Department fax: (44)-171 380 7193 University College London | driscoll@biochem.ucl.ac.uk From owner-structural-nmr@net.bio.net Thu Feb 13 22:00:00 1997 Path: biosci!NMRSGI2.NCIFCRF.GOV!rabyrd From: rabyrd@NMRSGI2.NCIFCRF.GOV (R. Andrew Byrd) Newsgroups: bionet.structural-nmr Subject: some historical perspective on LP Date: 14 Feb 1997 12:45:35 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 73 Sender: daemon@net.bio.net Distribution: world Message-ID: <199702142031.PAA14476@nmrsgi2.ncifcrf.gov> NNTP-Posting-Host: net.bio.net The recent comments on LP in NMR processing is very valuable for people entering the field at the present time. Although I can't claim to know when the first applications were, and I am certain that they predate the comments I will make, the algorithms have made significant impact and are often taken for granted. This course of action is dangerous, and the comments made reflect this. Istvan, Michel, and Marc have all described the problem accurately. My memory of some of the first applications to hi-res multi-dimensional NMR came in discussions with Dominique Marion while he was in Ad Bax's lab at NIH. He used LP algorithms -- derived from Numerical Recipes -- to back predict early points in FIDs as part of his efforts to develop convolution filters for solvent subtraction. He was writing his own code which was used on data subsequently processed with NMR2. Based on these discussions, I also kludged together some Numerical Recipes routines which were patched into FTNMR -- the predecessor to FELIX. This gave us the ability to replace questionable points in an FID--subject to the concerns which Istvan described--and, more importantly, to back predict the first points in the indirect dimension(s) to handle phase correction and the effects of finite pulses. Of course this was before we realized how to set the timing for 0.5 dwell and phase correct for flat baselines and yield alternating signs for folded peaks. In those applications, especially that which I coded, the LP was applied to the Real and Imag vectors independently. Subsequently, at least in the FTNMR/FELIX lineage of programs, Dennis Hare utilized these initial efforts and then implemented complex LP algorithms. I recall that Ed Olejniczak pointed out the value of extending vectors via LP. His application was included in the processing software developed at Abbott Labs. Dennis also provided for LP extension in FTNMR/FELIX, and the GIFA program also included these schemes. It was quickly clear that complex LP was the proper approach, for the reasons which Paul pointed out, and virtually all packages have moved in this direction. This history is of interest primarily in that advances have been made with respect to what algorithms have been implemented, generally in search of either speed or robustness. It is better to err on the side of robustness, yet these efforts have not always resulted in success. In the Felix program development, there have been times when the LP was changed and performed poorly or incorrectly. I believe that earlier problems have now been corrected--I do not imply that the LP in Felix is currently in error, only that it once was! The use of LP has become an integral component of data processing, and I think caution is the best approach in this matter. Particularly, any user should be cautious as to the degree of extension which is applied and the number of oscillators present in the data -- this relates to the comments from Istvan and Michel regarding using LP on data which has all other dimensions in the frequency domain. Ed Olejniczak cautioned to err on the conservative side! Most software packages, including those from instrument manufacturers now contain LP code. One's concerns may lie in the degree of description of the algorithm, how it handles real and complex data, and the robustness of the algorithm. Of course it is also preferable to have, under user control, the ability to apply the LP and examine the data prior to the FT of that data. It can be very frustrating to process 3D and 4D data and discover spikes and artifacts introduced by LP! I can echo Michel's comments that the complex LP code in nmrPipe is as stable as any I have ever used --> Frank HAS done an excellent job. well, that's probably even more than 4 cents worth...but LP is worth it. Andy ------------------ Dr. R. Andrew Byrd Macromolecular NMR/MSL/ABL TEL: 301-846-1407 FAX: 301-846-6195 From owner-structural-nmr@net.bio.net Thu Feb 13 22:00:00 1997 Path: biosci!PHOENIX.PRINCETON.EDU!ipelczer From: ipelczer@PHOENIX.PRINCETON.EDU (Istvan Pelczer) Newsgroups: bionet.structural-nmr Subject: Re: LP algorithms Date: 14 Feb 1997 10:21:48 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 49 Sender: daemon@net.bio.net Distribution: world Message-ID: References: <5e218i$7sl@mserv1.dl.ac.uk> NNTP-Posting-Host: net.bio.net Paul hit an important point. Yes, there are two different implementations, one is a vector-by-vector (R and I separately), while the other is a complex LP extension, with advantage to the latter one. I am not sure about other software packages, but NMRi's software (NMR2/NMRZ) uses (should I say: was using?) the first implementation, while NMRPipe offers complex LP. Of course, this is not a issue for data with sequential (TPPI of Redfield) acquisition/sign discrimination. All the best, Istvan wwww,wwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwwww Istvan Pelczer, Ph.D. Email: ipelczer@princeton.edu Senior NMR Spectroscopist Princeton University Department of Chemistry, Frick Lab., ph# (609) 258 2342 Washington Road fax# (609) 258 6746 Princeton, NJ 08544, USA On 14 Feb 1997, Paul Driscoll wrote: > Apropos the recent discussion concerning linear prediction. I have > always had this question about the implementation of the algorithm: > > If one has a complex NMR signal (FID) the signal in each of the real and > imaginary parts is correlated whereas (presumably) a significant > component of the noise in each of the components is uncorrelated. I > believe some implementations of LP simply predict the extension of the > real and imaginary FIDs independently and recombine them in the dataset > after the fact. Since the true signal in each part of the FID is > correlated is this not throwing away some 'knowledge' that should be > used in the LP procedure? Is there such a thing as a 'complex' LP > algorithm which operates on both components of the FID simultaneously? > Do any of the available software packages take this into account? > > Or is this missing the point? > Paul > > --------------------------------------------------------------------- > Paul Driscoll | Office (answer)phone: (44)-171 380 7035 > Dept. Biochem. & Mol. Biol. | Department fax: (44)-171 380 7193 > University College London | driscoll@biochem.ucl.ac.uk > > From owner-structural-nmr@net.bio.net Sat Feb 15 22:00:00 1997 Path: biosci!rutgers.rutgers.edu!uwm.edu!news-peer.gsl.net!news.gsl.net!howland.erols.net!rill.news.pipex.net!pipex!warwick!lyra.csx.cam.ac.uk!daresbury!not-for-mail From: Alex Breeze Newsgroups: bionet.structural-nmr Subject: Re: LP algorithms Date: 16 Feb 1997 14:12:50 -0000 Lines: 43 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <5e74l2$1nq@mserv1.dl.ac.uk> Reply-To: breeze@zeneca-ph.co.uk Original-To: driscoll@biochemistry.ucl.ac.uk Just a quick aside concerning Paul's comments about the nature of noise & signal in complex NMR signals. Thinking about this (and unless I've got the wrong end of the stick), the question of whether, or to what degree, the noise is correlated between real and imaginary vectors of the digitized signal will depend firstly upon whether we are talking about a directly acquired FID or an indirectly acquired interferogram. In the case of an interferogram, the "thermal" component of the noise will always be uncorrelated between the cosine and sine components of the signal because the corresponding points are collected separately at discrete times (regardless of which method -- States, TPPI, or States-TPPI -- is used). There may be some "systematic" sources of noise which are correlated, however; for example, those arising from phase cycle differences or incomplete relaxation, etc. If we are talking about a directly acquired FID, though, the situation is surely a bit more complicated. In any well-designed receiver operating at reasonable gain (that is, assuming the dynamic range of the signal is not too great), the predominant noise source will be thermal noise from the probe circuitry, then pre-amp noise; any other source should make a very minor contribution. Since the signal is not actually "complex" until it reaches the phase-sensitive detector circuitry in the final stage of the receiver, the only stages of the whole process that can introduce noise which is not correlated between real and imaginary are PSD mixing, analogue filtration and digitization. So, _unless_ we had low rcvr gain because of a big water signal, or some such, the "signal" level of the (correlated) noise should at this stage be high enough to be relatively uncorrupted by a small amount of uncorrelated noise introduced by PSD, filtration or digitization into the by now separate quadrature signals. Redfield method, did I hear someone say? Let's not mention that. Does this impinge on the valuable comments made by others about the relative merits of complex vs. discrete LP? No, not really! Alex ------------------------------------------------------------------------ Alex Breeze breeze@zeneca-ph.co.uk Protein Structure Lab (+44) 1625 514651 Zeneca Pharmaceuticals Cheshire SK10 4TG UK ------------------------------------------------------------------------ From owner-structural-nmr@net.bio.net Sun Feb 16 22:00:00 1997 Path: biosci!daresbury!not-for-mail From: Alex Breeze Newsgroups: bionet.structural-nmr Subject: Re: LP algorithms Date: 17 Feb 1997 13:17:19 -0000 Lines: 21 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <5e9lov$540@mserv1.dl.ac.uk> Reply-To: breeze@zeneca-ph.co.uk Original-To: str-nmr@dl.ac.uk I take back (some of) what I said! Gareth Morris kindly pointed out what on reflection is obvious, namely: >the real and imaginary parts of the signal/noise are those in phase >and in quadrature with the reference signal. The noise has random phase, >and hence the parts in phase and in quadrature with the reference are >uncorrelated. > >Any correlation between the real and imaginary noise would actually show up >in the symmetry of the noise in the spectrum. Alex ------------------------------------------------------------------------ Alex Breeze breeze@zeneca-ph.co.uk Protein Structure Lab (+44) 1625 514651 Zeneca Pharmaceuticals Cheshire SK10 4TG UK ------------------------------------------------------------------------ From owner-structural-nmr@net.bio.net Mon Feb 17 22:00:00 1997 Path: biosci!rutgers.rutgers.edu!uwm.edu!newsfeeds.sol.net!news.maxwell.syr.edu!news.enteract.com!news.inetnebr.com!netserv.unmc.edu!news From: Weixing Zhang Newsgroups: bionet.structural-nmr Subject: Re: 4D in H2O Date: Tue, 18 Feb 1997 10:13:46 -0600 Organization: Eppley Institute, University of Nebraska MC Lines: 41 Message-ID: <3309D53A.45DB@unmc.edu> References: <"91546142107991.41123.MRX*"@MHS> NNTP-Posting-Host: 137.197.152.15 Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 3.01Gold (X11; I; SunOS 5.5 sun4m) Mark Dixon, Tel +44 1509 644 062 wrote: > > Dear Protein Spectroscopists, > > I have searched the literature for variants of the 4D 13C/13C > HMQC-NOESY-HMQC with gradients, and I have hit upon a bit of > a problem. > > All of the sequences I have found operate in a D2O solution, > whereas I have _one_ sample in 90% H2O/10% D2O, which is not > amenable to solvent exchange. > > Can anyone tell me why it is not possible to run this > experiment in predominantly H2O ? I am prepared to consider > the various tricks for water suppression, but I cannot see why > the water should be a problem. > > Thank you for your consideration, > > > J. Mark Dixon > ASTRA CHARNWOOD > > mark.j.m.dixon@charnwood.gb.astra.com > Suppression of water signal for the 4D HMQC-NOESY-HMQC experiment is very difficult. You shold consider replace the HMQC with HSQC, so that you can use pulsed field gradient to suppress the water signal, e.g HMQC-NOESY-HSQC HSQC-NOESY-HSQC In order to observe NOE destinating to HA, I used a 3D experiment called 3D NOESY-(HCACO)NH which transfer the useful information from HA to HN for detection (J. Biomol. NMR (1996), 8, 357-359 ). Good luck ! Weixing Zhang, PHD University of Nebraska Medical Center USA From owner-structural-nmr@net.bio.net Mon Feb 17 22:00:00 1997 Path: biosci!BIOC01.UTHSCSA.EDU!raman From: raman@BIOC01.UTHSCSA.EDU (C.S.RAMAN) Newsgroups: bionet.structural-nmr Subject: Position Open Date: 17 Feb 1997 18:24:25 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 50 Sender: daemon@net.bio.net Distribution: world Message-ID: <9702180228.AA04933@bioc01.uthscsa.edu> NNTP-Posting-Host: net.bio.net MUCAB Protein Structure Group School of Chemistry Macquarie University, Sydney, Australia Protein NMR Spectroscopist Salary: $A39,053 - 42,096 A two-year postdoctoral position is available immediately to determine the NMR structure of various proteins within the Protein Structure Group at Macquarie University, Sydney. The successful applicant will primarily work to define aprotein fold thought to be representative of a new family of cell-cell adhesionmolecules. Spectra obtained to date on this surface glycoprotein (MW=15kDa) are of very high quality (Zachara et al., Eur. J. Biochem. 238, 511- 518, 1996) and milligram quantities of the 15N-labelled recombinant protein are routinely prepared in this laboratory. The Protein Structure Group is focussed on several proteins involved in cellular adhesion and regulation. It is staffed by a multidisciplinary team encompassing molecular biology, protein expression and NMR structure determination. We are a component of the Macquarie University Centre for Analytical Biotechnology, and are closely associated with the Australian Proteome Analysis Facility, which together form the major centre for protein research in the Sydney region. The Group is also part of IBiS (Initiative in Biomolecular Structure), a multidisciplinary forum addressing NMR, crystallography and computer techniques in structural biology. A new 600 MHz NMR spectrometer will be installed in the School of Chemistry in 1997. In the interim, generous access to a DMX-600 spectrometer (with pulse-field gradient capability) is available nearby at the University of New South Wales. Other resources include state- of-the art protein purification and analysis equipment, and a cluster of dedicated Silicon Graphics workstations. Applicants should have a Ph.D. in Chemistry, Biochemistry or related field. Experience in the recording and analysis of heteronuclear multidimensional NMR spectra of biomolecules is essential, as is familiarity with UNIX and NMR processing packages. Appointment is available immediately, initially until December 1997, and is renewable subject to grant funding. Applications close March 7, 1997. For further information concerning applications contact: Dr Bridget Mabbutt, School of Chemistry, email: bridget.mabbutt@mq.edu.au, telephone: (61 2) 9850 8282, fax: (61 2) 9850 8313 From owner-structural-nmr@net.bio.net Tue Feb 18 22:00:00 1997 Path: biosci!rutgers.rutgers.edu!uwm.edu!cs.utexas.edu!howland.erols.net!surfnet.nl!swidir.switch.ch!bromo.switch.ch!scsing.switch.ch!elna.ethz.ch!not-for-mail From: Peter Guentert Newsgroups: bionet.structural-nmr Subject: NEW: DYANA 1.2 Date: Wed, 19 Feb 1997 11:41:57 +0100 Organization: Swiss Federal Institute of Technology (ETHZ) Lines: 30 Message-ID: <330AD8F4.7185@mol.biol.ethz.ch> NNTP-Posting-Host: baldur.ethz.ch Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 3.0Gold (X11; I; SunOS 5.5 sun4m) CC: guentert@mol.biol.ethz.ch The new, improved version 1.2 of the program package DYANA for NMR structure calculation is available! For further details, please see the DYANA home page at http://www.mol.biol.ethz.ch/wuthrich/software/dyana/ Compared to version 1.1, the most important improvement is a new, significantly more efficient protocol for structure calculations with torsion angle dynamics that reduces the (for example, DEC alpha) CPU time to get one "successful" structure to about 25 s for BPTI (58 residues) and to about 160 s for cyclophilin (165 residues). There are other new features and small bugs have been fixed (see "improvements" on the DYANA home page). Temporary licenses for DYANA that are valid until end of May 1997 are available free-of-charge over the Internet (see "How to obtain DYANA" on the DYANA home page). Peter ---------------------------------------------------------------------- Dr. Peter Guentert phone +41 1 633 34 54 Institut fuer Molekularbiologie & Biophysik fax +41 1 633 11 51 ETH-Hoenggerberg, HPM G22 guentert@mol.biol.ethz.ch CH-8093 Zuerich (Switzerland) http://www.mol.biol.ethz.ch/~guentert ---------------------------------------------------------------------- From owner-structural-nmr@net.bio.net Tue Feb 18 22:00:00 1997 Path: biosci!POST.TAU.AC.IL!navon From: navon@POST.TAU.AC.IL (Gil Navon) Newsgroups: bionet.structural-nmr Subject: NMR Workshop Date: 18 Feb 1997 23:18:49 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 191 Sender: daemon@net.bio.net Distribution: world Message-ID: NNTP-Posting-Host: net.bio.net Research Workshop of the Israel Science Foundation ADVANCEED NMR TECHNIQUES IN THE STUDY OF ORDERED BIOLOGICAL TISSUES AND ELASTOMERS Tel Aviv University, Tel Aviv, Israel, 16-19 June, 1997. Ordered biological tissues and elastomers play a central role in medical research and material sciences. Interest in the NMR of ordered tissues and elastomers has gained momentum recently with the development of new NMR techniques such as magnetization transfer contrast MRI ( MTC), multiple quantum filtered NMR (MQF) and diffusion weighted imaging techniques. The research Workshop of the Israel Science Foundation will bring together some of the leading researchers who will describe and compare different techniques and discuss recent advances in the field. In addition the physical basis of MQF, MTC and diffusion measurements will be covered. A special session will be devoted to a symposium on NMR studies of brain structure and function. This session is sponsored by the Adams Super-Center for Brain Studies The Workshop will take place at the of the Tel Aviv University campus. Organizers Gil Navon Hadassah Shinar School of Chemistry, Tel Aviv University Scientific Program ------------------ The program will consist of invited lectures as well as short oral presentations and posters. At the moment the following scientists have accepted invitations to present a lecture: P.S. Allen (Edmonton) K. Arnold (Leipzig) B. Bluemich (Aachen P. Bluemler (Aachen) C. Boesch (Bern) P.T. Callaghan (Palmerston North) Y. Cohen (Tel Aviv) U. Eliav (Tel Aviv) W. Gruender (Leipzig) M. Henkelman ( Toronto) L. Jelinski (Ithaca) J. Katz (New York) A. Maroudas (Haifa) M. Neeman (Rehovot) S. K. Sarkar (King of Prussia) Y. Seo (Kyoto) S. Vega (Rehovot) S. Wimperis (Oxford) Call For Papers -------------- Participants are invited to submit abstracts for either oral or poster presentations during the Workshop. Abstracts must be submitted on plain, white paper, 21.5x28 cm with 2.5 cm margins on all sides. Type may be no smaller than 10pt. The entire abstract, including title, authors, affiliations, tables and references, may not exceed one page. Do not include photographs. Deadline for submission of abstracts is May 7, 1997. Abstracts received by fax will not be accepted. To each abstract please attach a sheet giving the name, complete address, telephone, fax and e-mail of the first (or presenting) author. Send abstracts to: Advanced NMR Workshop, School of Chemistry, Tel Aviv University, Ramat Aviv, 69978, Israel. Registration ------------ The registration fees include a reception on Monday evening as well as coffee and lunch during the conference. The deadline for advanced registration is May 7, 1997. Late fees will be charged after that date. Fees: $260 (late fees $290) ---- Students: $140 (late fees $170) Payments must be made in US Dollars. Cheques and bank transfers should be made payable to: Advanced NMR Techniques Workshop, Tel Aviv University.(for details please see the registration form) Accomodations We have secured the following rates in two hotels in Tel-Aviv (10 minutes drive from the conference venue). Rates are per night including breakfast: Single Double Grand Beach **** $79 $89 Shalom Hotel *** $60 $70 Entry to Israel - Visa A visa to Israel is not necessary for citizens of most countries. However, please check with your travel agent. Weather ------- The average high and low temperatures in the middle of June are 27 C and 20 C respectively. It does not rain. . For further information please contact: Prof. Gil Navon Tel: 972-3-6408146 e-mail: navon@post.tasu.ac.il Dr. Hadassah Shinar Tel:972-3-6406468 e-mail: shinar@chemsg5.tau.ac.il The Raymond and Beverly Sackler Faculty of Exact Sciences School of Chemistry, Tel Aviv University, Ramat-Aviv 69978, Israel Fax: 972-3-6410665 Internet: http://www.tau.ac.il/chemistry/nmrworkshop.html Registration Form ----------------- Advanced NMR Techniques in the Study of Ordered Biological Tissues and Elastomers Tel Aviv Univerity, Tel Aviv, Israel, 16-19 June, 1997 Name:______________________________________________________ First Last Title Affiliation:________________________________________________ Address:____________________________________________________ Street and number City ____________________________________________________________ Postal Code Country Tel:____________________Fax:___________________ E-mail:________________________________________ Registration Fees: Before May 7, 1997 After May 1, 1997 $260 $290 Student $140 $170 Payment: I enclose a cheque for US$___________payable to: ------- Advanced NMR Techniques Workshop, Tel Aviv University I enclose a copy of my bank transfer of US$____________payable to: Advanced NMR Techniques Workshop, Tel Aviv University, Bank Hapoalim, Einstein Branch 778 account no. 142-8800. Hotel Accomodations ------------------- Please reserve at the Grand Beach Shalom Hotel Single room Double room Check in ________________ Check out _____________ Number. of nights___________ From owner-structural-nmr@net.bio.net Wed Feb 19 22:00:00 1997 Path: biosci!bcm.tmc.edu!cs.utexas.edu!howland.erols.net!newsfeed.internetmci.com!netnews.nwnet.net!netra.oscs.montana.edu!usenet From: Dawit Gizachew Newsgroups: bionet.structural-nmr Subject: fluorinated aminoacids Date: Thu, 20 Feb 1997 15:51:40 -0700 Organization: Montana State University Lines: 8 Message-ID: <330CD57B.41C6@nmr0.chemistry.montana.edu> NNTP-Posting-Host: nmr2.chemistry.montana.edu Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 3.0 (X11; I; IRIX 5.3 IP22) CC: dawit@nmr0.chemistry.montana.edu Does anyone know where I can find information (where I can purchase them or how to make them) about fluoroproline, fluorohistidine or fluoroglutamicacid. Thank you. Dawit -- From owner-structural-nmr@net.bio.net Wed Feb 19 22:00:00 1997 Path: biosci!RISC1.LRM.FI.CNR.IT!mario From: mario@RISC1.LRM.FI.CNR.IT Newsgroups: bionet.structural-nmr Subject: (none) Date: 20 Feb 1997 04:59:30 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 19 Sender: daemon@net.bio.net Distribution: world Message-ID: <199702201200.NAA22284@risc1.lrm.fi.cnr.it> NNTP-Posting-Host: net.bio.net Dear Netters, I'm finalizing the assignment of a 153 AA protein, doubly labeled and I could not observe any peak arising from a Cys residue. Such Cys is supposed to be involved in a S-S bridge. Could the absenec of HN peak from this Cys residue be related to an increased solvent accessibility because of breakening or weakening of the disulfide bridge? Does anyone have some experience /knowledge about this? Thanks for your comments/info Mario Piccioli PhD Department of Chemisrty University of Florence Italy mario@risc1.lrm.fi.cnr.it From owner-structural-nmr@net.bio.net Thu Feb 20 22:00:00 1997 Path: biosci!PICASSO.UCSF.EDU!billeci From: billeci@PICASSO.UCSF.EDU (Todd Michael BILLECI) Newsgroups: bionet.structural-nmr Subject: Re: optimization methods Date: 20 Feb 1997 18:11:26 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 45 Sender: daemon@net.bio.net Distribution: world Message-ID: References: <330CF568.6945@spork.niddk.nih.gov> NNTP-Posting-Host: net.bio.net Metropolis Monte Carlo - N. B. Ulyanov et al., J. Biomol. NMR 3:547-568 (1993) Excellent review article - T.L. James, Curr. Opin. Struct. Biol. 4:275-284 (1994) Many more out there...this should be a good start. Todd Billeci Grad Student UC-San Francisco On Thu, 20 Feb 1997, John Kuszewski wrote: > Hi, > > I'm writing up my thesis, and I could use some > references for a related topic. > > Can anyone recommend some papers on using optimization > techniques other than molecular dynamics based simulated > annealing or conjugate gradient minimization to determine > NMR structures? I think I've seen some people trying to > do structures using genetic algorithms, but I can't > remember where. > > Thanks for any help! > -- > _____________ > | ___/_ > | |/ / > -- /\ // /-- > || || / /|| > || || / / || > || ||/ / || > John Kuszewski || |/ /| || > johnk@spasm.niddk.nih.gov || / /|| || > \/ / / || \/ > that's MISTER protein G to you! |/__/| | > /_________| > > My parents went to Zaire and all I got > was this lousy retrovirus. > > From owner-structural-nmr@net.bio.net Thu Feb 20 22:00:00 1997 Path: biosci!rutgers.rutgers.edu!gatech!csulb.edu!hammer.uoregon.edu!arclight.uoregon.edu!su-news-hub1.bbnplanet.com!cpk-news-hub1.bbnplanet.com!news.bbnplanet.com!cpk-news-feed1.bbnplanet.com!nih.gov!usenet From: John Kuszewski Newsgroups: bionet.structural-nmr Subject: optimization methods Date: Thu, 20 Feb 1997 20:07:52 -0500 Organization: Nat'l Insts of Health Lines: 29 Message-ID: <330CF568.6945@spork.niddk.nih.gov> NNTP-Posting-Host: spork.niddk.nih.gov Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 3.0Gold (X11; I; SunOS 5.5 sun4u) Hi, I'm writing up my thesis, and I could use some references for a related topic. Can anyone recommend some papers on using optimization techniques other than molecular dynamics based simulated annealing or conjugate gradient minimization to determine NMR structures? I think I've seen some people trying to do structures using genetic algorithms, but I can't remember where. Thanks for any help! -- _____________ | ___/_ | |/ / -- /\ // /-- || || / /|| || || / / || || ||/ / || John Kuszewski || |/ /| || johnk@spasm.niddk.nih.gov || / /|| || \/ / / || \/ that's MISTER protein G to you! |/__/| | /_________| My parents went to Zaire and all I got was this lousy retrovirus. From owner-structural-nmr@net.bio.net Thu Feb 20 22:00:00 1997 Path: biosci!rutgers.rutgers.edu!gatech!usenet.ins.cwru.edu!magnus.acs.ohio-state.edu!mail-news-gateway From: tselby@chemistry.ohio-state.edu (Thomas L Selby) Newsgroups: bionet.structural-nmr Subject: GIFA V-4 on a Linux Box Date: 21 Feb 1997 15:52:03 -0500 Organization: The Ohio State University Lines: 20 Sender: news@magnus.acs.ohio-state.edu Message-ID: <3.0.32.19970221154932.0081bb80@chemistry.ohio-state.edu> NNTP-Posting-Host: charm.magnus.acs.ohio-state.edu Hi I'm trying to install GIFA V_4 on my Linux box and there are some problems with the test portion of the install. Has anyone been succsesful with an installation on Linux, or know anyone who has? Thanks for your assistance. Sincerely, Tom Selby The Department of Chemistry The Ohio State University 176 West 19th Avenue Columbus, OH 43210 Phone: 614-292-6974/9775 Fax: 614-292-1532 e-mail: tselby@chemistry.ohio-state.edu From owner-structural-nmr@net.bio.net Thu Feb 20 22:00:00 1997 Path: biosci!CASPUR.IT!r.ragno From: r.ragno@CASPUR.IT (Gianluca Sbardella) Newsgroups: bionet.structural-nmr Subject: Re: fluorinated aminoacids Date: 21 Feb 1997 00:00:23 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 35 Sender: daemon@net.bio.net Distribution: world Message-ID: References: <330CD57B.41C6@nmr0.chemistry.montana.edu> NNTP-Posting-Host: net.bio.net On Thu, 20 Feb 1997, Dawit Gizachew wrote: > Does anyone know where I can find information (where I can purchase them > or how to make them) about fluoroproline, fluorohistidine or > fluoroglutamicacid. > > Thank you. > > Dawit > -- > > Dear Dr. Gizachew, I'm sorry I'm not able to answer your question, but I (and many other colleagues, too) would appreciate if you'll summarize the replies you'll get. Thank you in advance, *************************************************************** * * * Dr. Gianluca Sbardella E-mail: r.ragno@caspur.it * * Dip. Studi Farmaceutici * * Universita' "La Sapienza" Phone: 39-6-49913814 * * P.le A. Moro, 5 Fax: 39-6-491491 * * 00185 Roma * * ITALY * * * * * * "Il destino e' quel che e', non c'e' scampo piu' per me.." * * (Gene Wilder, "Frankenstein Junior") * * * * * *************************************************************** From owner-structural-nmr@net.bio.net Fri Feb 21 22:00:00 1997 Path: biosci!internet!biosci!not-for-mail From: biohelp (BIOSCI Administrator) Newsgroups: bionet.structural-nmr Subject: BIOSCI/bionet miniFAQ & Fundraiser Date: 22 Feb 1997 02:00:14 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 239 Sender: daemon@net.bio.net Distribution: world Message-ID: <199702221000.CAA02791@net.bio.net> NNTP-Posting-Host: net.bio.net (LAST REVISION: 30-JUL-95) This BIOSCI "miniFAQ" is designed to answer the questions that come up the *most frequently*. The main BIOSCI FAQ (Frequently Asked Questions) is accessible on the World Wide Web at URL http://www.bio.net/. If you can not find an answer to your question in this or other documentation, the BIOSCI technical support staff answers e-mail queries sent to biosci-help@net.bio.net We can only answer questions about the use of the newsgroups and mailing lists. We unfortunately do not have the staff to do Internet information searches or answer scientific questions. Please post those to the appropriate BIOSCI/bionet newsgroups. Contents: -------- 0) BIOSCI NEEDS YOUR SUPPORT!! 1) Using the WWW to access the BIOSCI/bionet newsgroups. 2) What to do about "spams," i.e., junk mail, ads, etc. 3) Examples of subscribing and unsubscribing to the mailing lists. 4) The BIOSCI user address and research interest directory. 0) BIOSCI NEEDS YOUR SUPPORT!! ------------------------------ BIOSCI's government funding has been expended, and we are now operating solely from advertising revenue that we have raised from our Web site at http://www.bio.net/. We need just a few minutes of your time to help us serve you. You can do two important things which will take very little time for you individually and will immensely help us continue to help you. First, please use our WWW system at http://www.bio.net/ to access the archives. You can post or reply to messages via your Web browser as described in item #1 below. Your usage helps attract sponsors. If you contact any of our sponsors, please be sure to thank them for supporting BIOSCI. It is critical for them to get this feedback if they are to continue their sponsorship for the long term. Second, if you work for a company or organization that provides products or services of interest to the biology community, please pass this message on to your marketing or marketing communications department or other appropriate group. Please ask them to help support BIOSCI by sponsoring our Web site and explain the uses and benefits of the system to the biology community. If they are interested, they can then contact us for further information at our tech support address, biosci-help@net.bio.net. 1) Using the WWW to access the BIOSCI/bionet newsgroups. -------------------------------------------------------- As of 10 December 1995, all BIOSCI/bionet full newsgroups are accessible through the World Wide Web (WWW) at URL http://www.bio.net. One can read and reply publicly or privately to both recent postings and archived messages through one's Web browser if it is configured properly to send e-mail. Each newsgroup is equipped with its own WAIS index. The main BIOSCI home page also has access to the BIO-JOURNALS Table of Contents database WAIS index and the BIOSCI user address database described in another item further below. 2) What to do about "spams," i.e., junk mail, ads, etc. ------------------------------------------------------- BIOSCI is a set of parallel USENET newsgroups (the "bionet" groups), mailing lists, and a hypermail archive at URL http://www.bio.net/. The same postings are distributed on all media (except for a small number of mailing-list-only groups at net.bio.net). Unfortunately it is becoming a despicable practice on the Internet (by a few people out to make a fast buck) to do automated mass postings to thousands of newsgroups and mailing lists. These attempts to grab free advertising are refered to as "spams" in the usual, somewhat boneheaded, net terminology. USENET is more susceptible to this practice, and many spams originate on the USENET groups and then are passed on to the mailing lists. However, spammers also get lists of mailing addresses and hit these too, so neither medium is immune. What should you do personally if you get junk mail? --------------------------------------------------- Just delete it and move on without reading it further. Filing a protest is becoming increasingly useless because spammers are often disguising the addresses where the messages are sent from. Unless you really understand Internet mail systems, your attempt at protest by sending replies to the message will often end up being sent to the address of an innocent person that the spammer is victimizing. What can BIOSCI/bionet do to protect its newsgroups? ---------------------------------------------------- The only solution currently available is to moderate the newsgroup. If this newsgroup is already moderated, then you are in good shape. Moderation protects the USENET distribution from about 95% of the spams that are being sent to date and protects the mailing lists completely. Moderation means, however, that someone has to take the time to review each message before it goes out. We have set up software here that simply allows the moderator to forward to an address at net.bio.net messages that (s)he wishes to have distributed. This takes no more time than that needed to read the message and pass it on, say about 1 min. per message. Most newsgroups currently have a discussion leader who is responsible for their newsgroup. The discussions leaders and their e-mail addresses are listed in the BIOSCI Information Sheet which is available on the Web at http://www.bio.net/. If a newsgroup is being hit with too many junk postings, please contact the discussion leader for that group and see if there is interest in moderating the group. Please do not assume that by simply posting a complaint to the newsgroup itself, anyone on the BIOSCI staff will act on your complaint. With close to 100 newsgroups to run, the BIOSCI staff has to rely on the discussion leaders of each newsgroup to report problems directly to us at biosci-help@net.bio.net. We will moderate any of our newsgroups if the discussion leader tells us that the readership of the group wishes to do so and if a moderator is willing to do the work. For most BIOSCI/bionet groups, this entails only a few minutes of work each day. Moderating a newsgroup will resolve probably 95% of the junk postings on the USENET distribution. Unfortunately there are easy ways for determined spammers to override the moderation mechanism on USENET, but we can protect our e-mail subscribers from unwanted postings if the newsgroup is moderated. You can also access our newsgroups over the WWW at URL http://www.bio.net. While this Web interface will not stop spammers from trying to post to the groups, this will give you yet another way, besides using USENET news, to keep the junk out of your personal mail files. For those of you with local USENET news systems, the Web interface will also give you faster access to new newsgroups and recent postings. 3) Examples of subscribing and unsubscribing to the mailing lists. ------------------------------------------------------------------ PLEASE NOTE: The BIOSCI management does NOT act on subscription/unsubscription requests that are posted improperly to the newsgroups and mailing lists. People who do this only bother everyone on the lists to no avail. Please be sure to follow the proper procedures below. Gory details are in the BIOSCI Information sheets on the Web at http://www.bio.net. Below we give an example utilizing the METHODS-AND-REAGENTS list at both of our two BIOSCI sites: Users in the Americas and Pacific Rim countries who use the BIOSCI ------------------------------------------------------------------ node at computer net.bio.net: ---------------------------- A) Determine the "listname" which is the <=8 character mail address ^^^^^^^^^^^^^ for the group. These can be found in the BIOSCI Info. Sheet. For the METHODS-AND-REAGENTS group the mailing address is methods@net.bio.net. The listname is the portion of the address to the left of the @ sign, i.e., "methods". The listname is used with the "subscribe" and "unsubscribe" commands illustrated below. B) Mail all commands in the body of a mail message addressed to biosci-server@net.bio.net. Do NOT send commands to the newsgroup posting addresses! Leave the Subject: line blank, any text on it will be ignored. C) In the body of your message put one or more of the following commands with an "end" command on the last line, e.g., subscribe methods unsubscribe methods end Do NOT put your e-mail address or other text on these lines. The server only allows you to cancel your subscription if the address on your mail header matches the address on our mailing list. Please ask for help at biosci-help@net.bio.net if your address has changed, e.g., if you know you are on the list but the server tells you that you are not a member. Users in Europe, Africa, and Central Asia who use the BIOSCI node at -------------------------------------------------------------------- computer daresbury.ac.uk (also known as dl.ac.uk): ------------------------------------------------- To subscribe and unsubscribe to/from the BIOSCI lists, you need to specify the full USENET newsgroup name with "bionet-news." prepended. The USENET newsgroup names are listed in the BIOSCI Information sheet on the Web at http://www.bio.net/. For the METHODS-AND-REAGENTS list the USENET newsgroup name is bionet.molbio.methds-reagnts, thus the appropriate commands are sub bionet-news.bionet.molbio.methds-reagnts unsub bionet-news.bionet.molbio.methds-reagnts These commands are included in a message addressed to mxt@dl.ac.uk, NOT to the newsgroup mailing addresses. As usual, include the text in the body of the message as text on the Subject: line is ignored. To unsubscribe from all the lists at the UK node, use unsub bionet-news Please note that if the address in the list is different than the one in your mail message header, you will not be able to unsubscribe by this method. If you have problems, please mail biosci@daresbury.ac.uk. 4) The BIOSCI user address and research interest directory. ----------------------------------------------------------- Please take this opportunity to add your name, address, and research interest information to the BIOSCI User Address Database if you have not already done so. You can fill out the address form directly through our Web page at URL http://www.bio.net/adrform.html. The address database is reindexed nightly for WWW access (the URL is http://www.bio.net/). If you are not directly on the Internet but can reach it by e-mail, please use our waismail server to access the user directory. waismail use is described above. You can also request a user address form by e-mail from biosci-help@net.bio.net. Please check your database entry from time-to-time to see if your address information is still up-to-date. Because of our limited personnel resources, we ask that you resubmit a *complete* form to revise your entry; we only replace complete entries and do not have resources to edit old forms. Sincerely, Dave Kristofferson BIOSCI/bionet Manager biosci-help@net.bio.net From owner-structural-nmr@net.bio.net Mon Feb 24 22:00:00 1997 Path: biosci!rutgers.rutgers.edu!gatech!www.nntp.primenet.com!nntp.primenet.com!news.enteract.com!netnews.com!howland.erols.net!cam-news-hub1.bbnplanet.com!cpk-news-hub1.bbnplanet.com!news.bbnplanet.com!cpk-news-feed1.bbnplanet.com!nih.gov!usenet From: John Kuszewski Newsgroups: bionet.molbio.proteins,bionet.xtallography,bionet.structural-nmr Subject: structs vs reality? Date: Tue, 25 Feb 1997 15:37:46 -0500 Organization: Nat'l Insts of Health Lines: 32 Message-ID: <33134D9A.57D6@spork.niddk.nih.gov> NNTP-Posting-Host: spork.niddk.nih.gov Mime-Version: 1.0 Content-Type: text/plain; charset=us-ascii Content-Transfer-Encoding: 7bit X-Mailer: Mozilla 3.0Gold (X11; I; SunOS 5.5 sun4u) Xref: biosci bionet.molbio.proteins:10088 bionet.xtallography:3215 bionet.structural-nmr:1783 Hi, I'm writing my thesis now, so I'm starting to ponder the big questions. Here's my current one: How well do xray or NMR structures actually model reality in vivo? I've seen some old papers showing that some enzymes still work in the crystalline state, but there must be something else about this. Can anyone point me toward some references? Thanks! -- _____________ | ___/_ | |/ / -- /\ // /-- || || / /|| || || / / || || ||/ / || John Kuszewski || |/ /| || johnk@spasm.niddk.nih.gov || / /|| || \/ / / || \/ that's MISTER protein G to you! |/__/| | /_________| My parents went to Zaire and all I got was this lousy retrovirus. From owner-structural-nmr@net.bio.net Tue Feb 25 22:00:00 1997 Path: biosci!rutgers.rutgers.edu!uwm.edu!newsfeeds.sol.net!feed1.news.erols.com!howland.erols.net!newsxfer.itd.umich.edu!uunet!in2.uu.net!199.170.183.55!brighton.openmarket.com!decwrl!purdue!mozo.cc.purdue.edu!omni.cc.purdue.edu!rick From: rick@omni.cc.purdue.edu (Rick Millane) Newsgroups: bionet.structural-nmr,sci.chem Subject: Faculty position - solids nmr spectroscopist Date: 26 Feb 1997 16:07:57 GMT Organization: Purdue University Lines: 17 Message-ID: <5f1n4t$b54@mozo.cc.purdue.edu> NNTP-Posting-Host: omni.cc.purdue.edu Keywords: nmr, academic X-Newsreader: NN version 6.5.0 (NOV) Xref: biosci bionet.structural-nmr:1786 sci.chem:76342 FACULTY POSITION - SOLIDS NMR SPECTROSCOPIST Purdue University has available a tenure-track position for a young faculty member who will establish and develop a new magnetic resonance laboratory in a new building and an innovative research program in NMR spectroscopy of materials related to food systems. Required is a Ph.D. in physical chemistry, biophysics, food science, or a related discipline and at least 2 years of postdoctoral experience with NMR spectroscopy. A good command of English, an interest in teaching food physical chemistry, and a willingness to work with food and food ingredient companies on practical problems are essential. Solid state and microimaging are desired research areas. Start-up funding is available. For more information and application details contact Dr. James N. BeMiller, Dept. of Food Science, 1160 Smith Hall, Purdue University, West Lafayette, IN 47907-1160 (Tel. 765-494-6171, e-mail: bemiller@foodsci.purdue.edu). Purdue University is an Equal Opportunity/Affirmative Action Employer From owner-structural-nmr@net.bio.net Tue Feb 25 22:00:00 1997 Path: biosci!cnrs-orleans.fr!sodano From: sodano@cnrs-orleans.fr (Sodano Patrick) Newsgroups: bionet.structural-nmr Subject: 13C labelled phospholipids Date: 26 Feb 1997 07:38:02 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 21 Sender: daemon@net.bio.net Distribution: world Message-ID: <199702261523.QAA02361@admin.cnrs-orleans.fr> NNTP-Posting-Host: net.bio.net Hello, we require 13C fully labelled phospholipids. Anybody knows where to purchase= =20 some? Thanks Patrick ************************************************************************* Dr Sodano Patrick Centre de Biophysique Mol=E9culaire Rue Charles Sadron 45071 Orl=E9ans C=E9dex 02 France ************************************************************************ From owner-structural-nmr@net.bio.net Wed Feb 26 22:00:00 1997 Path: biosci!daresbury!not-for-mail From: Paul Driscoll Newsgroups: bionet.structural-nmr Subject: Protein NMR Postdoctoral Fellowship, London UK Date: 27 Feb 1997 17:47:24 -0000 Organization: Dept. Biochem. & Mol. Biol., UCL Lines: 61 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <5f4hbc$1ce@mserv1.dl.ac.uk> Original-To: str-nmr@dl.ac.uk, ammrl@bloch.cchem.berkeley.edu, varnet@aries.scs.uiuc.edu LUDWIG INSTITUTE FOR CANCER RESEARCH University College London School of Medicine Branch (Director: Professor M. D. Waterfield FRS) Postdoctoral Fellowship in Biological NMR Spectroscopy ------------------------------------------------------ Applications are invited for a position, available immediately and tenable for up to three years, in Joint UCL/LICR Biological NMR group. The successful candidate will be responsible for pursuing the characterisation of the structural and functional properties of signal transduction proteins, particularly relating to the family of phosophoinositide 3-kinases, by NMR spectroscopy and other physical techniques. Candidates should be able to demonstrate in-depth experience of multi-dimensional NMR spectroscopy and solution structure determination and/or the investigation of the dynamic properties of proteins. Preferably the candidate should also have experience of biochemical techniques for the production of isotope-labelled recombinant proteins. The NMR group currently comprises 10 researchers at student to post- doctoral level, is well equipped for molecular biology, protein expression and purification, and NMR spectroscopy (three channel and four channel 600 and 500 MHz Varian spectrometers with pulse shaping and pulse field gradient accessories). We are physically located outside the Ludwig Institute proper in the UCL Biochemistry and Molecular Biology Department. Addtionally we are part of the newly inaugurated Joint Research School in Biomolecular Sciences set up in conjunction with the Department of Crystallography at Birkbeck College, headed by Professor Janet Thornton. The salary (currently under review) for this position is in the range UKP 17,127-23,045 plus UKP 2,750 London supplement, dependent on age and experience. [UKP = UK Pounds. Employment would be administered through the Ludwig Institute for Cancer Research, not the University.] Contact Dr. Paul Driscoll (44-171 380 7035) for further details, if required. Applicants should mail or E-mail Dr. P.C. Driscoll Department of Biochemistry and Molecular Biology University College London Gower Street London WC1E 6BT U.K. E-mail: driscoll@biochem.ucl.ac.uk with a curriculum viate and the names and addresses of three referees, by March 17th 1997. Further details about the LICR and the NMR laboratory can be obtained from the world wide web: http://www.ludwig.ucl.ac.uk/ & http://www.biochem.ucl.ac.uk/ [Apologies to those who receive multiple postings of this announcement] --------------------------------------------------------------------- Paul Driscoll | Office (answer)phone: (44)-171 380 7035 Dept. Biochem. & Mol. Biol. | Department fax: (44)-171 380 7193 University College London | driscoll@biochem.ucl.ac.uk From owner-structural-nmr@net.bio.net Wed Feb 26 22:00:00 1997 Path: biosci!ihnp4.ucsd.edu!news1.ucsd.edu!ehom.extern.ucsd.edu!user From: ehom@ucsd.edu (Erik Forbes Y. Hom) Newsgroups: bionet.molbio.proteins,bionet.xtallography,bionet.structural-nmr Subject: Re: structs vs reality? Date: Wed, 26 Feb 1997 07:51:02 +0000 Organization: Dept. Chem/Biochem & Dept. Pharm., UCSD Lines: 53 Message-ID: References: <33134D9A.57D6@spork.niddk.nih.gov> NNTP-Posting-Host: ehom.extern.ucsd.edu Xref: biosci bionet.molbio.proteins:10113 bionet.xtallography:3227 bionet.structural-nmr:1787 > Hi, > > I'm writing my thesis now, so I'm starting to > ponder the big questions. Here's my current one: > > How well do xray or NMR structures actually model > reality in vivo? > > I've seen some old papers showing that some enzymes > still work in the crystalline state, but there > must be something else about this. > > Can anyone point me toward some references? > > Thanks! > Hi John, Good question. Here's an old paper that discusses this issue, which I'm sure you'll find of interest: Fulton, A.B (1982). "How Crowded is the Cytoplasm," Cell:30(2):345-7. You can do a citation search on this article - I'm sure you'll pick up the relevant papers this way. Also, Allen Minton (and S. Zimmerman...) at NIH work on macromolecular crowding issues which are of immediate importance to your question - so there's local experts you could ask (have you contacted them?). They wrote a review in the 1993 Ann. Rev. Biophys. & Biomolec. Struct. (ARBBS) you should definitely read if you haven't. You could also look into this year's (and last year's(?)) ARBBS for reviews on time-resolved (so-called "4D") crystallography; observing catalysis events is one of the goals of the next generation of crystallographers - they surely will address the question you raised. If you find anything particularly interesting, I wouldn't mind hearing about it! I hope this helps...Good luck! Cheers, erik -- Erik Forbes Y. Hom McCammon Research Group Department of Chemistry & Biochemistry and Department of Pharmacology University of California at San Diego 9500 Gilman Drive, Dept. 0365 La Jolla, CA 92093-0365, USA Lab: 619-822-0168 Fax: 619-534-7042 URL: http://chemcca10.ucsd.edu E-mail: ehom@ucsd.edu From owner-structural-nmr@net.bio.net Wed Feb 26 22:00:00 1997 Path: biosci!daresbury!not-for-mail From: "Scott, Kathy" Newsgroups: bionet.structural-nmr Subject: subscribe Date: 27 Feb 1997 20:11:17 -0000 Lines: 1 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <5f4pp5$ed0@mserv1.dl.ac.uk> MIME-Version: 1.0 Original-To: str-nmr subscribe From owner-structural-nmr@net.bio.net Thu Feb 27 22:00:00 1997 Path: biosci!SHIELDING.USI.UTAH.EDU!facelli From: facelli@SHIELDING.USI.UTAH.EDU (Julio Facelli) Newsgroups: bionet.structural-nmr Subject: unsubscribe Date: 28 Feb 1997 08:21:04 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 15 Sender: daemon@net.bio.net Distribution: world Message-ID: <199702281621.JAA01437@shielding.usi.utah.edu> NNTP-Posting-Host: net.bio.net unsubscribe ________________________________________________________________________________ Julio C. Facelli, PhD. Director Center for High Performance Computing (CHPC) 66 SSB, The University of Utah Salt Lake City, Utah 84112, USA. Phone (801)-581-7529 Fax (801)-585-5366 e-mail facelli@shielding.usi.utah.edu ________________________________________________________________________________ From owner-structural-nmr@net.bio.net Thu Feb 27 22:00:00 1997 Path: biosci!gandalf.psf.sickkids.on.ca!willis From: willis@gandalf.psf.sickkids.on.ca (Randy Willis) Newsgroups: bionet.structural-nmr Subject: Expression In Pichia? Date: 28 Feb 1997 09:21:58 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 22 Sender: daemon@net.bio.net Distribution: world Message-ID: <33171416.41C6@gandalf.psf.sickkids.on.ca> NNTP-Posting-Host: net.bio.net Greetings all, Just wondering who out there has had experience in the expression and purification of isotopically-labelled proteins in Pichia spp. and if there are any references which I might be able to pull out of the library. And while we're at it, has anyone had any experience with growing Saccharomyces spp. in the commercially available labelling media? Any assistance would be greatly appreciated. Thanks, Randall C Willis, Researcher Biochemistry, Hosp for Sick Children 3522-555 University Ave. Toronto, ON M5G 1X8 CANADA 416-813-5933 (ph) -5022 (fax) willis@gandalf.psf.sickkids.on.ca From owner-structural-nmr@net.bio.net Thu Feb 27 22:00:00 1997 Path: biosci!SHIELDING.USI.UTAH.EDU!facelli From: facelli@SHIELDING.USI.UTAH.EDU (Julio Facelli) Newsgroups: bionet.structural-nmr Subject: unsubscribe Date: 28 Feb 1997 07:56:51 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 15 Sender: daemon@net.bio.net Distribution: world Message-ID: <199702281557.IAA01361@shielding.usi.utah.edu> NNTP-Posting-Host: net.bio.net subscribe ________________________________________________________________________________ Julio C. Facelli, PhD. Director Center for High Performance Computing (CHPC) 66 SSB, The University of Utah Salt Lake City, Utah 84112, USA. Phone (801)-581-7529 Fax (801)-585-5366 e-mail facelli@shielding.usi.utah.edu ________________________________________________________________________________ From owner-structural-nmr@net.bio.net Fri Feb 28 22:00:00 1997 Path: biosci!PUBLIC.JN.SD.CN!gengy From: gengy@PUBLIC.JN.SD.CN (geng yue) Newsgroups: bionet.structural-nmr Subject: connection Date: 1 Mar 1997 06:09:26 -0800 Organization: BIOSCI International Newsgroups for Molecular Biology Lines: 16 Sender: daemon@net.bio.net Distribution: world Message-ID: <199703011412.WAA06905@public.jn.sd.cn> NNTP-Posting-Host: net.bio.net Dear Prof. I am a new comer of this newsgroup. My doctoral thesis is to study the structure of polysacharides from bee pollen and their biological activities. I wonder how can I get connection with researchers in these fields. I hope I can get efficient help through internet such as sample preparation, NMR methods, analytical software and information. Sincerely yours Gneg Yue Pollen Applicational Research Center Tongji University 1239 Siping Road Shanghai 200092 PR.China From owner-structural-nmr@net.bio.net Fri Feb 28 22:00:00 1997 Path: biosci!daresbury!not-for-mail From: geng yue Newsgroups: bionet.structural-nmr Subject: connection Date: 1 Mar 1997 14:11:17 -0000 Lines: 16 Sender: lpddist@mserv1.dl.ac.uk Distribution: bionet Message-ID: <5f9de5$5gi@mserv1.dl.ac.uk> X-Sender: gengy@public.jn.sd.cn (Unverified) Original-To: str-nmr@net.bio.net Dear Prof. I am a new comer of this newsgroup. My doctoral thesis is to study the structure of polysacharides from bee pollen and their biological activities. I wonder how can I get connection with researchers in these fields. I hope I can get efficient help through internet such as sample preparation, NMR methods, analytical software and information. Sincerely yours Gneg Yue Pollen Applicational Research Center Tongji University 1239 Siping Road Shanghai 200092 PR.China