ToxicHE

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DR.S.ARAVAMUDHAN
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This page was first published to the Internet in shillong on Friday, 17th October 2008, 1:55AM
This page last updated at SHILLONG on Saturday, November 8, 2008 at 7:53 AM


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CLICK On banner-image below to display the website of St. Edmonds College, Shillong

Click On this image for WebSite of St.Edmonds college,extracted from the St Edmonds College Website for the National Seminar on Toxic Heavy Elements


A webpage documentation by Dr.S.Aravamudhan on the occasion of the participation in

National Seminar
On
Toxicity Of Chemicals & their Hazards With
SPECIAL REFERENCE To Heavy Metals”
23rd – 24th , October, 2008


http://sec.edu.in/aca/sem/index.php

Click on this image to dispaly the INVITATION from Principal, St.Edmonds College, Chief Patron of Seminar
The Certificate uploaded on 26th Oct. 2008

MULTINUCLEAR NMR AND TOXIC HEAVY ELEMENTS

S.ARAVAMUDHAN
Department Of Chemistry
North Eastern Hill University
Shillong 793022 Meghalaya


Abstract

Nuclear Magnetic Resonance (NMR) Spectroscopy can yield information about the structural environment which in a material. This makes it possible consequently arrive at information about the functional aspects related to molecular systems. These are sufficient enough criteria to look for applications of NMR to studies on toxicity aspects.

The phenomenon of NMR owes its possibility to the fact that atomic nuclei possess nuclear magnetic moments. The material in which these atoms, with their characteristic nuclei, are present can be either in the elemental form or in a molecular frame work. The bare nuclei are distinguished from the context of the occurrence of these nuclei in atoms and molecules, by the fact that the surrounding electrons modify the resonance characteristics of the nuclei. Consequently a nuclei of a heavy element being surrounded by more number of electrons than lighter elements can reflect in the NMR characteristics. More over, the same atomic nuclei present in different electronic structural situations from one molecule to another can bring in further distinguishing features characteristically to be identified with the molecule with the nuclei as the indicator element.

Such a disposition of arriving at structural information by the NMR can also be advantageously utilized in the context of toxicity studies. The literature documentation of the use of Multi Nuclear NMR for the studies of toxic heavy elements is abundant.

An effort to list out the toxic heavy elements which are amenable to study by multi nuclear NMR would be made indicating the characteristic features of such systems which provide the key to unravel the potential use. The trace element analysis, trace element speciation aspects would be compared with the other techniques available for similar studies.

The environmental concerns and their solutions related to the heavy elements would be illustrated with few examples of general appeal, but with an accent on how to adapt such methods for similar concerns pertaining to a specific location and surrounding. The toxic effects resulting from the interference in the biological processes are currently covered under the topic of Multi Nuclear NMR applications in metabonomics. An introduction to this subject matter of metabonomics and the toxic heavy elements would be covered for the awareness of the scientific community on a broader basis.

An article for the context of NMR for oil and coal by this author can be displayed at the URL:  http://in.geocities.com/saravamudhan2002/nmr_for_oil_and_coal.html
An introductory article on NMR by this author can be displayed at the URL:  http://www.geocities.com/saravamudhan2002/nmr_article.html

inboxnehu_sa@yahoo.com



POSTER SITE

CLICK HERE  for the FULL article on  "Toxic Heavy Elements and Multi Nuclear NMR"

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VIDEO PRESENTATION FILE


The above embedded video is a VIDEO UPLOAD FEATURE at YOUTUBE:
http://www.youtube.com/watch?v=scKjeqFr0fk
Find another embedded video at  http://www.ugc-inno-nehu.com/BICProject_NEHU.html
 which is also a VIDEO Upload feature at youtube.com:
http://www.youtube.com/user/aram1121944/#p/a/u/0/TlwipuSTlEw
Video feature furnished on June 7,2011

A Powerpoint Presentation File Used for the Lecture is available in the Link below for Downloading:
http://ugc-inno-nehu.com/Lecture_TOxicHE.ppt

Dr.Aravamudhan has (uploaded to internet and) made available links to download from internet Power Point Presentation files which could be useful
supplementary educational materials to CLASS ROOM lectures on Magnetic Resonance.These are available from the following URLs:


1. Secondary School level introductory materials related to Magnetic Resonance at   http://aravamudhan-s.ucoz.com/amudhan_nehu/it_classroom_tools.html

2. Little more of the NMR Phenomena at URL:  http://saravamudhan.tripod.com/infotech_tools/

3. Lecture materials Used in UGC Refresher Course at NEHU, Shillong:  http://aravamudhan-s.ucoz.com/saravamudhan44/inno_course_contents.html
The links above for Presntation files and URLs added at SHILLONG on November 2, 2008

FullArticle_NSToxicHeavyelements.doc


A REMARK

As has been pointed out in the FULL article, the way NMR is used for Clinicla Biomedicinal chemistry is by the "Studies in Metabolomics". That such high throughput techniques are possible with NMR is the reason why NMR is becoming useful tool. Essentially for such experiments and measurements, it is necessary that the metabolites in biofluids are detectble by the monitoring technique, in this case it is the NMR technique. This kind of metabolite identification techniques require High Field NMR spectrometers and advanced data processing techniques for spectral analysis.

For a lecture material on Instrumentation for NMR   CLICK HERE

The mathematical tehniques which provide such alogorithsm are the Pattern recognition methods of spectral analysis, Maximum Entropy Method etc. The results become a huge data base of NMR spectral positions and combinations to identify the metabolites and the composition of biofluids in terms of the metabolite nature and concentration. This require data bases similar to what is vitally important in the Bioinformatics. Such NMR adat bases are being built at various centres and portals dveloped for the use in medical applications and biology. The URL of one such NMR database is linked at the webpage built by this author:

http://aravamudhan-s.ucoz.com/inboxnehu_sa/nmrs2005_icmrbs.html

The basic reasons and logistics of the development of studies in life science subjects by the advanced instrumental techniques is described at URL:

http://aravamudhan-s.ucoz.com/BHU2006/NSWBCB2006_BHU.html




   
CLICK HERE on picture for an article on NMR by this author

The picture above is an NMR Spectrum of Ethyl Alcohol; drawn with MS EXCEL and MS WORD


In connection with the materials on detoxification of water, in the Poster Sheets 17,18,19,20, & 21, which is by detecting changes in water NMR linewidths, the following spectra could be revealing on the line width efects caused by elements like copper which are paramgnaetic systems.

Click on image to display the description on water Vitalizer Plus and the NMR line widths


For COMPARISON the linewidth variation in both cases (above CuSo4 Solutions & below Vitalizer treated) is a feature observable, but in CONTRAST, the mechanisms responsible for this effect are different

Below is an embedded documentation extracted from "http://www.youtube.co.in". Gives in 7mins 4secs a video illustration on the use of spectroscopy in structure ellucidation.Illustration with IR soectroscopy and Proton and carbon 13 NMR spectyroscopy.
Added on Monday, December 15, 2008 by Dr. Aravamudhan at Shillong
To view the video movies made by Dr.S.Aravamudhan, CLICK on the link:  http://www.youtube.com/aram1121944/  to Display the "My Channel" of Dr.S.Aravamudhan at youtube self broadcast site.


CLICK HERE  to dispaly the original URL adevertizing the commercial product "water VITALIZER PLUS"


In View of the above comparison and contrast in NMR Spectra, it is worth noting the Structure of water cluster below before and after OPTIMIZING using a Quantum Chemical Computational Package "PCGAMESS"
CLICK on this image for a WebPage containing more results of Computaion

CLICK HERE   for a WebPage containing more Computed Results