Energy Technologies for the Twenty-First Century
WEC – Survey of Energy Resources 2001
DOE – This Week in Petroleum
Energy Information Administration – Main Site

“Oil Sands: Alberta’s Opportunity to Become a Significant Oil Exporter” – by Fluor, February 2004.

National Center for Upgrading Technology – Conference on “Upgrading and Refining of Heavy Oil, Bitumen and Synthetic Crude Oil” – September 2006 – Details

“Bitumen and Very Heavy Crude Upgrading Technology – A Review of Long Term R&D Opportunities” March 2004

Genoil demonstration of an upgraded bitumen – effects on TBP and other physical properties.

“Fueling an Integrated Energy Future” – Energy Innovation Network, December 2004

Kearl Lake Bitumen Extraction Project

“Historical Perspective of the Heavy Oil Resources of Utah”

USGS – “Heavy Oil and Natural Bitumen-Strategic Petroleum Resources”

“Non-Conventional Hydrocarbons – Where and How Much”

Energy Independence for North America Through Heavy Oil Upgrading – Presentation – same material but presented as a Paper

Alberta Energy Research Institute – Strategic Research Plan

Shell – Gasification in Heavy Oil Upgrading in Alberta

“The Impact of Emerging Research Techniques on Exploitation and Refining Technology Development” John Shaw – University of Alberta

“Alberta’s Oils Sands Opportunity”

Jacobs Engineering – Oils Sands Production Presentation

Total – Tar Sands Production Presentation

Effect of Tar Sands on World Oil Supply – Imperial Oil

Association for the Study of Peak Oil & Gas

Alternative Fuels – An Energy technology Perspective – March 2005

“Integration Opportunities for Coal/Oil Coprocessing With Existing Refineries”

Oil Sands Supply Outlook – March 2004

Fossil fuel developments in Oil Shale, Tar Sands, and Coal Liquifaction will have to replace the “Easy Oil”. At $70 per barrel these are all plausible but research and development dollars have to be allocated. Running the world on Corn production is not the way to go technologically even though it satisfies the farming lobby.

Another strong proponent of NMR utilization in the study of petroleum hydrocarbons is G.S. Kapur of the Indian Oil Corporation. Here are a few of his papers:
1) “Analysis of Hydrocarbon mixtures by Diffusion Ordered Spectroscopy”, Fuel 79, 1347-51 (2000).
2)”The qualitative probing of hydrogen bond strength by diffusion-ordered NMR spectroscopy”, Tetrahedron Letters 41, 7181-7185 (2000).
3)“Unambigous Resolution of a-Methyl and a- Methylene Protons in 1H-NMR Spectra of Heavy Petroleum Fractions”, Energy Fuels 2005, 19, 508-511
4)”Simplification an assignment of proton and 2-dimensional hetero-correlated NMR spectra of petroleum fractions using gradient selected editing pulse sequences” Fuel 81 (2002) 883-892

A practical guide to PFG spin echo NMR for mixture analysis has been written by Brian Antelek of Eastman Kodak.

Experimental
At the present time samples are being run on a Varian UnityPlus-200 spectrometer operating at a 29Si frequency of 39.74 MHz. The probe was a Doty Scientific 7 mm Supersonic CP/MAS probe using zirconia and Kel-F end caps. For the single pulse NMR experiments a pi/6 pulse of 2 microseconds was used with a relaxation delay of 4 seconds to facilitate quicker acquisition.The 4 second relaxation delay was obatined from full T1-inversion recovery experiments. Gated proton decoupling was used during FID acquisition. For the cross polarization experiments full contact time array experiments were obtained on the initial samples submitted. Due to the mobility of the polymer backbone the optimum cross polarization contact time for the polymer backbone was around 15 ms with signal lasting until 50+ ms. However, the more rigid structures in the polymer – such as the silicates, had optimum contact times around 3-5 ms. As a compromise we chose a 6.4 ms contact time which yielded good signal sensitivity for both the polymer and silicate components. Cross polarization inversion recovery experiments yielded a short relaxation delay of 2 seconds. A 1H p/2 pulse of 4.6 ms was used along with gated proton decouplind during FID acquisition. For all samples the same experimental conditions have been maintained. MAS spinning speeds were around 7 kHz to avoid spinning side band coincidence on real signals. Also, to avoid MAS induced modulation of the contact-time, the variable amplitude cross-polarization contact pulse was used.

Silicone Chemistry Observed by NMR
The notation in use for silicone chemistry is M,D,T,Q (mono, di, tri and quaternary) denoting the oxygen substitution on the silicon atom. The polymer backbone itself is predominantly D i.e. [(SiO2(CH3)2]n which has a typical resonance frequency around –21 ppm. The termination of the polymer would be an M group (SiO(CH3)3) (found at +4 to +10 ppm) or MOH (SiO(CH3)2OH) (-10 to –15 ppm). Another area of interest in the spectrum is the –20 to –10 ppm region which is partially due to MOH but also due to D type silicon centers that are within 5 monomer units of a termination. Thus, if hydrolysis of the silicone backbone is occuring, this region will increase in intensity as one will now have more silicon centers close to termination points as well as more MOH terminations.

In some gaskets one observes small signals in the –60 to –70 ppm region which is due to T type silicone centers (SiO3(CH3))n, however this is usually not observed. The only other region where one observes signal is in the –80 to –120 ppm region of the spectrum. These silicon centers can only be Q1 (SiO(OH)3), Q2 (SiO2(OH)2), Q3 (Si(OSi)3(OH)) or Q4 (SiO4)types, as only silicons with 4 attached oxygens can appear in this region, any methyl substitution would cause these silicons to appear in the +10 to –70 ppm range of the spectrum. Of relevance to any discussions on silicone polymers it should be noted that Q1 is equivalent to M(OH)3 , Q2 is equivalent to D(OH)2 , Q3 is equivalent to TOH.

When one looks at the NMR experiments for the certain silicones one does not observe a resonance at +10 to +4 ppm. This indicates that the predominant polymer termination is MOH. Silicate is observed, however, it is not clear if this silicate is a filler for hydrogen bonding crosslinking or actual polymer Q4/Q3/Q2 sites of directly condensed silicates acting as bonded crosslinking agents.

SP-MAS NMR Experiments
In this experiment one quantitatively observes all silicon species in the system allowing a “bulk” silicon type distribution to be calculated. One observes a narrow resonance at –21 ppm which is due to the silicone polymer backbone (-O-Si(CH3)2-O-)n. Very little signal is observed in the –20 to –10 ppm region indicating that the polymer chains are quite long. In the –80 to –120 ppm region of the spectrum one observes silicon present in silicate that has been added as a cross-linking agent. The hydrogen bonding between the silicone polymer and the Si-OH groups of the silicate add structural integrity to the gasket. It is differences in the silicate silanol (Si-OH) chemistry that may account for changes in compressibility of the gasket during service. Thus, one will observe relative changes in the amount of 29Si signal observed in the –80 to –103 ppm and –10 to –23 ppm regions of the spectrum. This region is where Q3 (Si(OSi)3(OH)), Q2 (Si(OSi)2(OH)2), and Q1 (Si(OSi)(OH)3) groups are found.

Parameters Calculated:
Silicate Content  – %Si in silicate filler
Q4                     – %Si atoms in Q4 silicate – Si(OSi)4
Qn                      – %Si atoms in Qn silicate (Q1, Q2, Q3)
Q4/Qn Ratio       – Silanol (Si-OH) distribution
% Polymer          – %Si in D & MOH polymer units

Relative changes in these parameters can be utilized to interpret changes in silicon chemistry caused by coolant exposure and service.

CP-MAS NMR Experiments
This experiment warrants a detailed explanation as the results are not quantitative from a “bulk” silicon chemistry standpoint. The CPMAS experiment utilizes the strong NMR signal that can be generated from protons (H) in the sample. The experiment preferentially observes silicons that are in close proximity to H. However, mobility is also a “problem” in this experiment. The way the experiment works is that the protons in the sample are polarized initially and magnetization is transferred from the protons to the silicons via their dipole-dipole interaction (similar to the interaction between 2 bar magnets). This interaction weakens the further the H and Si are from each other, and also weakens if there is considerable molecular motion. In the case of these samples this means that in the silicate region of the spectrum one observes an enhancement of the signal due to Si-OH containing species. In the case of the silicone polymer, however, one observes an overall decrease in the signal at –21 ppm due to the –(O-Si(CH3)2-O-)n backbone due to its rapid segmental (rubbery) molecular motions. One observes a large signal (that is hardly observable in the SPMAS spectra) in the –5 to –20 ppm region. This is due to silicone silicons that are at or directly adjacent to crosslinking sites (where there could be a D-silicate bond, or polymer termination sites such as MOH. The fact that they are enhanced by the CP technique indicates that these termination proximate silicons are motionally restricted compared to the rest of the silicone backbone. They represent either strongly hydrogen-bonded regions or chemical crosslinks of the type (O2(CH3)2Si–O–Si-O–Silicate) where a defect in the silicone backbone has reacted with a silanol of the silicate filler to form a Si-O-Si bond. This experiment is very powerful when used to observe relative changes in Si-OH chemistry in the silicate region and relative mobility changes in the polymer backbone.

Parameters Calculated:
% polymer backbone                 – %Si in mobile silicone backbone
% restricted polymer backbone  – %Si in motionally restricted regions of the silicone backbone (D units in close proximity to cross-linking sites, termination sites (MOH) or adjacent to termination sites).
Silicate Content                          – %Si in silicate filler.
Q4                                             – %Si in Q4 silicate – Si(Osi)4
Qn                                             – %Si in Qn silicate (Q1, Q2, Q3)
Q4/Qn Ratio                              – relative change in silanol (Si-OH) distribution

As with the SP-MAS calculated parameters one can utilize these parameters to determine changes in silicon chemistry resulting from coolant exposure and service.

Table I
Summary of 29Si NMR Chemical Shift Regions

Chemical Shift

Region (ppm)         Silicon Species

+10 to +4              Polymer termination sites (SiO(CH3)3) M

-5 to –15               Polymer Termination Sites (SiO(CH3)2OH) MOH

-10 to -20             Motionally restricted silicone polymer. Cross-linked and H-bonded –(O-Si(CH3)2-O-)n D units within five monomer units of polymer termination

-21                       D Units – motionally unrestricted silicone –(O-Si(CH3)2-O-)n

-75 to -85            Q1 Si(OSi)(OH)3 Silicate Center (M(OH)3)

-85 to -94            Q2 Si(OSi)2(OH)2 Silicate Center (D(OH)2)

-94 to -104         Q3 Si(OSi)3(OH) Silicate Center (TOH)

-104 to -120      Q4 Si(OSi)4 Silicate Center (Q)

Discussion
In use one observes that the gasket silicon chemistry changes dependent on additive chemistry and temperature/pressure conditions. When the polymers degrade one observes a general loss of D type signal intensity in the 29Si SP/MAS experiment as well as a corresponding increase in silicate content. One does not typically see changes in Q4 type but instead large changes in Q3 and Q2 content. These changes occur regardless of the presence of silicate in the coolant. This leads one to deduce that the Q3 and Q2 types are being generated by degradation of the polymer itself rather than a change in the chemistry of the silicate that was present in the sample initially. The author is not privy to additives and experimental conditions so he cannot speculate on the effect of silicate and other additives on the speed of the degradation that occurs. At the same time that Q3 and Q2 types are increasing in intensity the CP/MAS experiment clearly shows that there is a large increase in the relative amount MOH types and D types close to terminations (-5 to –20 ppm region). This proves that the exposure to coolants causes a hydrolysis of the Si-O-Si bond. However, it should also be notes that for the Q3 and Q2 types to appear one must also be hydrolyzing the Si-CH3 bonds.

The complimentary nature of the SP/MAS and CP/MAS experiments along with the use of only on set of experimental CP/MAS conditions means that relative changes in the various silicon chemistries can be analyzed to quantify the degree of degradation that a polymer has gone through.

Excellent Silicone Chemistry Link – Silicones in Pharmacutical Applications
For more information on this topic please contact:

John Edwards
Manager, Process and Analytical NMR Services
Process NMR Associates LLC,
87A Sand Pit Rd
Danbury, CT 06810, USA
Tel: (203) 744-5905

NMR Petrophysics offers NMR logging courses and provide NMR log analysis services.

A paper on the effect of sorbed oil on 1H NMR response was published byStanford University researchers.

A book is available on the subject entitled, “NMR Logging – Principles and Applications”

“Oil-Viscosity Predictions From Low-Field NMR Measurements” by J. Bryan and A. Kantzas, U. of Calgary/Tomographic Imaging and Porous Media Laboratory, and C. Bellehumeur, U. of Calgary

Also available at this site are a very handy palm utility that lists frequencies, gyromagnetic ratios, natural abundances, receptivities, magnetic and quadrupolar moments, and reference compounds of most NMR active nuclei – download PalmNMR. He also provides a nicely designed interactive NMR frequency map.

An excellent NMR users group exists (AMMRL-Association of Managers in Magnetic Resonance Laboratories) which consists of NMR facility managers and industrial NMR users. The group has an archive of questions posed and answers given to many issues that arise from the operation of Varian, Bruker and JEOL spectrometers predominantly in a college setting. Issues with NMR operation such as safety and peripheral infrastructure, as well as scheduling of users, manipulation of data and servicing of equipment are all covered in the discussions. Both groups can be joined at the sites above.

There is a Bruker users group archive directory located at http://calmarc3.cchem.berkeley.edu/archives/bum/. Membership of the Bruker users group can be obtaied by contacting he following e-mail (‘bruker-users-mail-request@purcell.cchem.berkeley.edu’). Membership to the Bruker brotherhood is carefully guarded and you will only be admitted if you operate Bruker equipment.

The FTP link to download the software is: ftp://davinci.chem.umanitoba.ca/pub/marat/SpinWorks/.

The current version is 2.5.3. There is also an excellent documentation PDF file to help users work through the program functionality.

This is how Dr Marat describes his software on his home page:

“What is SpinWorks
SpinWorks has two functions: The first is to provide easy basic off-line processing of 1D NMR and 2D data on personal computers. SpinWorks other function is the simulation and iterative analysis of complex second order spectra including dynamic NMR problems and certain solid-state NMR problems, in a manner similar to our UNIX Xsim program. SpinWorks 2.4 is the forth release of SpinWorks version to contain 2D processing. Full support is included for Bruker (XwinNMR/UXNMR) and Varian (Unix VNMR) data formats. Included F1 detection modes include States, TPPI, States-TPPI, Single Detection (QF), and echo-antiecho. There have also been some improvements and bug fixes in the 1D and simulation routines, and these should be at least as stable as those in version 1.3. While the program is to the point where it should (I hope) be useful, there will, no doubt, be bugs and there are things that don’t yet work. The aim of the program is to make a program easy enough for undergrads to process magnitude COSY spectra (for example) with a single mouse click, and yet still be flexible enough for research use. SpinWorks currently handles only one data set at a time. However, most new computers have sufficient memory to run two or three copies of SpinWorks simultaneously. This can be very useful when examining the rows and columns of a 2D data set.

Computer Requirements
SpinWorks requires a 486 or higher processor (Pentium recommended) running Windows 95, 98, NT 4.0, Windows 2000 Pro, or XP (NT 4.0, XP or Win 2000 recommended). Windows ME is probably O.K., but is untested. Installation currently requires about 5 Mbytes of disk space exclusive of NMR data. 32 Mbytes or more of RAM are recommended, depending on NMR data set and simulation sizes. SVGA 800 x 600 or better display required (1024×768 or better recommended). For 2D processing a Pentium class processor with 64 Mbytes of memory is the practical minimum. For 2D you should also have your display set to at least 16 bit colour, otherwise the image and contour level colours will be strange. I have received reports (but have not confirmed) that SpinWorks will run under Linux with the WINE package and on a Mac with SoftWindows. A three-button mouse is ideal, but SpinWorks will work just fine with a two-button mouse. Note that on “Wheel Mice” the mouse wheel also serves as the middle mouse button. The mouse wheel can also be used for vertical scaling of 1D spectra.”

Nuclear magnetic resonance (NMR) has come a long way since it was discovered in the 1940s. This physical phenomenon, which arises from the intrinsic spin possessed by many nuclei, has provided a better understanding of the physics of nuclei and molecules. It has also been exploited to analyse the properties of many different materials in chemistry, physics, polymer science and biomedicine.

Recent developments in the use of high magnetic fields and pulsed NMR techniques have made it possible to probe the structure of organic compounds as complex as proteins. Imaging machines based on the NMR principle have also been developed, and now provide a powerful and non-invasive tool for diagnosing a variety of medical conditions. However, less well known are the applications of NMR for analysing food and drink. At the Joint Research Centre at Ispra, we are using a technique to detect whether a wine has been adulterated with foreign substances. This method is based on an NMR measurement of the deuterium content of wine.

Nuclear magnetic resonance is observed for nuclei with non-zero nuclear spin, which includes both the hydrogen nucleus (a proton) and the deuterium nucleus (a proton and a neutron). However, the physical properties of these two isotopes dictate that the NMR signal produced by deuterium nuclei is over 100 times weaker than that produced by the same number of hydrogen nuclei. The natural abundance of deuterium is also extremely low, with typical samples of hydrogen containing only about 0.015% of deuterium. This means that the NMR signal due to deuterium in a natural sample containing hydrogen is about a million times weaker than the signal due to hydrogen.

Despite this drawback, deuterium has very interesting properties for quantitative NMR. Deuterium has a quadrupole magnetic moment rather than a dipole moment, which means that it is unaffected by the nuclear Overhauser effect. This effect – in which radiofrequency radiation applied to the nucleus changes the strength of the resonance – is often exploited to enhance the NMR signal, but it also degrades the precision of quantitative techniques. Indeed, deuterium spectra generally show distinct peaks that are suitable for quantitative purposes.

An important advantage of NMR is that the deuterium content can be determined for each of the sites in a hydrogen-containing molecule that are not magnetically equivalent. For ethanol, for example, it is possible to determine separately the deuterium content of the methyl group (CH2D) and the methylene alcohol group (CHD) in the deuterium NMR spectrum. The low natural abundance of deuterium means that it is only necessary to consider molecules containing a single deuterium atom.

How does the deuterium content of wine indicate whether it has been adulterated? This is possible because the deuterium content of water in the hydrosphere and biosphere is not a constant. As an extreme example, ice at the South Pole has very low deuterium content, with a deuterium-to-hydrogen ratio of about 90 parts per million (ppm), while ocean water has a value of about 156 ppm. This natural variation is due to thermodynamic and kinetic effects that take place during the water cycle, when water evaporates from the ocean and precipitates over land. The transpiration of water from plants also favours lighter isotopes, leading to a greater abundance of deuterium in the water contained in plants.

The deuterium content of the water in any plant, including the vines used in wine production, therefore depends on several factors that can be related to the geoclimatic conditions during plant growth. Moreover, the water in the plant is used in the photosynthesis of different chemicals, in particular the production of glucose. This transfers the isotopic content of the water to the glucose and other sugars present in the plant, which means that both the metabolism and physiology of the plant influence the final deuterium content of the sugars. The deuterium content of the sugars therefore provides a good indication of their botanical origin.

Although sugars are particularly difficult to study with deuterium NMR, it is possible to detect the deuterium content of the methyl group in ethanol, which is produced during the yeast fermentation of wine. Ethanol is responsible for most of the alcoholic content of wine, and it retains a deuterium-to-hydrogen ratio representative of the sugars from which it is produced. Quantitative NMR can therefore be used to determine whether the ethanol present in wine originates from the sugars naturally present in the grapes or whether other sugars have been added to boost the alcoholic content. This practice – known in the trade as “chaptalization” – is allowed in the European Union, but only within specified limits.

A simple way of using NMR to detect sugar in wine is to compare the deuterium content of the wine being tested with a genuine wine from the same geographical origin. This requires an accurate determination of the NMR signal from the genuine wine, which is being done for all European wine-producing countries by our laboratory and other official laboratories of the European Union. The NMR data of more than 10 000 samples, together with an exhaustive description of the wines, have been collated since 1991 and now provide a powerful tool against fraudulent practice.

Other isotopic indicators, such as the content of oxygen-18 in wine or carbon-13 in ethanol, can be used to help detect other types of fraud, such as watering down the wine or false declarations of geographic origin. These parameters are usually measured by mass spectrometry, but this does not provide the site-specific information given by deuterium NMR.

Isotopic techniques, particularly the NMR analysis of deuterium, can also be used to control the authenticity of fruit juices by first converting the sugars into ethanol using controlled fermentation. Deuterium NMR can also be used to characterize the origin of natural flavours such as vanillin or raspberry. In future the combination of nuclear magnetic resonance and mass spectrometry will almost certainly lead to many other applications in detecting frauds in food.

About the author
Claude Guillou and Fabiano Reniero are at the Joint Research Centre of the European Commission, Ispra, Italy.

Wines and juices: Since 1991, the European data bank on wines has been established years after years and contains now the isotopic data of several thousands of wines from the main producing countries in Europe. Illegal enrichment of wines can be checked out and, according to the pertinence of the data bank, geographic origins of QWPSR wines can be controlled. Private ventures took also an interest in building up specific databanks of wines from third countries. The market of fruit juices has been stabilized by SNIF-NMR and the quantity of sucrose added in pure juices has been severely reduced. A joint approach using SNIF-NMR and IRMS is very useful for fighting against other sophisticated frauds.

Aromas and perfumes: The replacement of vanillin from beans (Vanilla Planifolia) by synthetic vanillin is an old practice and during thirty years, isotopic methods (IRMS and SNIF-NMR) were a nightmare to the fraudsters. Biotechnology forms the subject of the last serial of the vanillin saga: vanillin obtained from ferrulic acid by fermentation has been declared “natural” providing that all the steps and ingredients taking part in its manufacture are “natural”. The potentiality of isotopic analysis for solving the problem of the natural status of biotechnological vanillin will be discussed. Progresses in the authentication of aromatic molecules obtained from the shikimate pathway and of monoterpenes bio synthesized according to the deoxyxylulose pathway are also pointed out.

Miscellaneous applications of SNIF-NMR: During the last decade, fats and oils, fishes, dairy products and coffees received a great attention form the official and private laboratories in charge of the consumer protection. Legal (tobacco) and illegal (heroin) drugs have also been authenticated by SNIF-NMR.”

See also – Eurofins Site, and the following papers in The Chemical Educator (Elsevier), and this US Customs Service Report, explain the technique and a simple application very well.

SNIF NMR methodology has actually been patented US Patent 6,815,213, US Patent 4,550,082.

See Process NMR Associates for your NMR analysis needs.

See Process NMR Associates for your 13c analysis needs.

Essential Oils
Ajowan EO Trachyspermum copticum – India (seed)
Allspice Berry EO Pimenta officinalis
Amyris EO Amyris Balsamifera – Jamaica
Angelica Root EO Angelica archangelica
Angelica Seed EO Angelica archangelica
Anise Seed EO Pimpinella anisum
Armoise EO Artemesia herba alba – Morocco
Balsam Peru EO Myroxylon balsamum
Balsam Tolu EO Myroxylon balsamum – El Salvador
Basil EO Ocimum basilicum
Bay Leaf EO Pimenta racemosa
Bay Laurel EO Laurus nobilus – Jamaica
Benzoin Liquid Resin Benzion Styrax – China
Bergamot EO Citrus bergamia
Birch Sweet EO Betula lenta
Black Pepper EO Piper nigrum – India
Blood Orange EO Citrus sinensis var.
Bog Myrtle EO Myrica gale – Europe
Cabrueva EO Myocarpus fastigiatus – South America
Cade EO Juniperus oxycedrus – Spain
Cajeput EO Melaleuca cajeputi
Calamus EO Acorus calamus
Camphor EO Cinnamomum camphora
Cananga EO Cananga odorata
Caraway Seed EO Carum carvi
Cardamom Seed EO Elattaria cardamomum
Cassia EO Cinnamomum Cassia – China
Catnip EO Nepeta cataria
Carrot Seed EO Daucus carota
Cedarwood EO Cedrus atlantica
Cedarwood Atlas EO Cedrus atlantica – Morocco
Cedarwood Chinese EO – Cupressus funebris – China
Cedarwood Himalayan EO Cedrus deodara – Himalaya
Cedarwood Mexicana EO Juniperus mexicana – Mexico (also Texas Cedarwood)
Cedarwood Virginian EO Juniperus Virginiana – USA
Cedar Leaf EO Thuja occidentalis – USA
Celery Seed EO Apium graveolens
Chamomile German EO Matricaria chamomilla
Chamomile Egypt EO Matricaria chamomilla
Chamomile Spain EO Matricaria chamomilla
Chamomile Roman EO Anthemis nobilis
Cinnamon Bark EO Cinnamomum
Cinnamon Leaf EO Cinnamomum zeylanicum
Citronella EO Cymbopogon nardus
Citronella Sri Lanka EO Cymbopogon nardus
Citronella Java EO Cymbopogon winterianus
Clary Sage EO Salvia sclarea
Clove Bud EO Eugenia caryophyllata
Clove Leaf EO Eugenia caryophyllata – Madagascar
Copaiba Balsam EO Copaifera officinalis
Coriander Seed EO Coriandrum
Cumin EO Cumimum cymimum
Cypress EO Cypressus sempervirens
Cypriol EO Cyperus scariosus – Brazil (Flowers)
Davana EO Aretemesia pallens
Dill Seed EO Anethum sowa – India
Dill Weed EO Anethum graveolens
Dragons Blood EO Croton lechleri – South America (Resin)
Dwarf Pine EO Pinus mugo
Elemi EO Canarium luzonicum
Eucalyptus Citriodora EO Eucalyptus citriodora
Eucalyptus Globulus EO Eucalyptus globulus
Eucalyptus Radiata EO Eucalyptus radiata
Eucalyptus Spain EO Eucalyptus globulus
Eucalyptus China EO Eucalyptus globulus
Eucalyptus Smithii EO Eucalyptus smithii – China (leaf)
Fennel Sweet EO Foeniculum vulgare
Fennel Hungary EO Foeniculum vulgare
Fennel Spain EO Foeniculum vulgare
Fennel Rectified EO Foeniculum vulgare
Fennel Sweet EO Foeniculum vulgare
Fir Needle EO Abies alba
Fir Siberian EO Abies sibirica – Austria (Needle)
Fir Canadian EO Abies balsamea – USA (Needle)
Frankincense EO Boswellia carteri
Galbanum EO Ferula galbaniflua – Turkey (Gum)
Garlic EO Allium sativum – Mexico (Bulb)
Geranium EO Pelargonium graveolens
Geranium Rose EO Pelargonium roseum – France
Ginger EO Zingiber officinale
Ginger Grass EO Cymbopogon martini – China
Grapefruit Pink EO Citrus paradise
Guaiacwood EO Bulnesia sarmienti – Paraguay
Helichrysum EO Helichrysum angustifolium
Helichrysum Italicum EO Helichrysum italicum
Hop EO Humulus lupulus
Hyssop EO Hyssopus officinalis
Juniper Berry EO Juniperus communis
Labdanum EO Cistus labdanum
Lantane EO Lantara camara – Madagascar
Lavandin EO Lavendula latifolia
Lavender EO Lavendula angustifolia
Lemon EO Citrus limon
Lemongrass EO Cymbopogon citratus
Lemon Myrtle EO Backhousia citriodora – Australia
Lime EO Citrus aurantium
Lime (Distilled) EO Citrus aurantifolia
Lime (Cold Pressed) EO Citrus aurantifolia
Litsea Cubeba EO Litsea cubeba – China
Mace EO Myristica fragrans – Spain (Husk)
Mandarin EO Citrus reticulata
Marjoram EO Origanum majorana
Melissa EO (Lemon Balm) Melissa officinalis
Mint Brazil EO Mentha arvensis
Mint China EO Mentha arvensis
Mint Japan EO Mentha arvensis
Mugwort EO Artemisia vulgaris
Mullein EO Verbascum thapsus – India (Leaf)
Myrrh EO Commiphora myrrha
Myrtle EO Myrtus communis
Neroli EO Citrus Aurantium – Egypt
Niaouli (Cineole) EO Melaleuca viridiflora
Niaouli (Nerolidol) EO Melaleuca quinquinervia
Nutmeg EO Myristica fragrans
Oat EO Avena sativa
Opoponax EO Commiphora guidotti – Ethiopia
Orange Bitter EO Citrus aurantium
Orange Sweet EO Citrus sinensis
Oregano EO Thymus capitatus
Palmarosa EO Cymbopogon martini
Parsley Seed EO Petroselinum sativum
Patchouli EO Pogostemon cablin
Pennyroyal EO Mentha pulegium
Pepper Black EO Piper nigrum
Peppermint EO Mentha piperita
Petitgrain EO Citrus aurantium
Pine Needle EO Abies sibirica
Pine Dwarf EO Pinus mugo – Austria (Needle)
Pine Scots EO Pinus sylvestris – Hungary (Needle Twig)
Pine EO Pinus pinaster – USA (Needle)
Ravensara EO Ravensara aromatica
Rosalina EO Melaleuca ericifolia – Australia
Rose EO Rosa centifolia
Rosemary EO Rosmarinus officinalis
Rosewood EO Aniba roseaodora
Sage EO Salvia officinalis
Sandalwood EO ( Mysore ) Santalum album
Spearmint EO Mentha spicata
Spike Lavender EO Lavandula latifolia
Spikenard EO Nardostachys jatamansi
Spruce EO Tsuga canadensis
Spruce Black EO Picea mariana – Norway (Needle)
Star Anise EO Illicium verum
Tagetes EO Tagetes minuta
Tangerine EO Citrus reticulata
Tarragon EO Dracunculus spp.
Tea Tree EO Melaleuca alternifolia
Thuja EO Thuja occidentalis
Thyme Red EO Thymus vulgaris
Thyme Sweet EO Thymus vulgaris – France
Thyme White EO Thymus vulgaris – Spain
Turmeric EO Curcuma longa – India
Valerian Root EO Val ariana officinalis
Verbena EO Lippia citriodora
Vetiver EO Vetiveria zizanoides
Wintergreen EO Gaultheria procumben
Wormwood EO Artemisia absinthium
Yarrow EO Achillea Millefolium – Bulgaria
Ylang-Ylang Extra EO Canaga odorata
Ylang-Ylang I EO Canaga odorata
Ylang-Ylang III EO Canaga odorata

Carrier oils
Apricot Kernel Oil Prunus armeniaca
Aloe Vera Oil Aloe barbadensis -USA
Avocado Oil Persea americana
Borage Oil Borago officinalis
Camelina Oil Camelina sativa
Camellia Oil Camellia sinesis – Japan (Seed)
Canola Oil Brassica napus – Canada
Castor Oil Ricinus communis – India (Seed)
Coconut Oil (Fractionated) Cocos nucifera
Coconut Oil (Virgin) Cocos nucifera
Corn Oil
Cottonseed Oil Gossypium seminis – USA (Seed)
Emu Oil
Evening Primrose Oil Oenothers biennis
Flax Seed (Linseed) Oil Linum usitatissimum – USA
Foraha (Tamanu) Calophyllum Inophyllum
Grapeseed Oil Vitis vinifera
Hazelnut Oil Corylus avellana
Hemp Seed Oil Cannabis Sativa
Jojoba Golden Simmondsia chinensis
Kukui Oil Aleurites moluccans
Macadamia Nut Oil Macadamia integrifolia – Australia
Olive Oil Olea eurpaea – Italy
Palm Oil Passiflora elacsis – USA
Palm Kernel Oil Passiflora aincarnata – Malaysia
Peanut Oil Arachis hypogeae – USA
Pecan Oil Algooquian paccan – USA
Pistachio Nut Oil Pistacia vera – USA
Rose Hip Seed Oil Rosa mosqueta
Safflower Oil Carthamus tinctorius – Guatamala
Sesame Oil Sesamum indicum
Soya Bean Oil Soja hispida – USA
Sunflower Oil (High Oleic) Helianthus annuus
Sweet Almond Oil Prunus dulcis
Walnut Oil Juglans ragia – USA
Wheatgerm Oil Triticum vulgare
Almond Fragrance Oil
Bitter Almond Fragrance Oil
Coconut Fragrance Oil
Rosemary Oil Extract

NMR Reference: Ref: “Essential Oils Analysis by Capillary Gas Chromatography and Carbon-13 NMR Spectroscopy ”
by K.H. Kubeczka and V. Formacek, 2nd Ed, Wiley, NY (2002)

Essential Oil Chemistry Reference: Journal of Essential Oil Research

See Process NMR Associates Essential Oils Page

                                                                    University of Wisconsin

EUROMAR – York will be held July 16-21, 2006 at The University of York Main Campus, Programme

22nd International Conferences on Magnetic Resonance in Biological Systems will be held August 20-25, 2006 in Goettingen, Germany – programme

6th Colloquium on Mobile NMR will be held 6-8 September 2006 in Aachen, Germany – Program

SMASH 2006 will be held September 10-13 at the Sheraton Hotel in Burlington, Vermont – Program

The NMR Symposium of the 48th Rocky Mountain Conference on Analytical Chemistry will be held July 23 – 27, 2006. The conference site is the Beaver Run Resort & Conference Center in Breckenridge, Colorado.

21st Meeting of the Central European NMR Discussion Groups will be held April 23-26, 2006, Valtice, Czech Republic in the hotel HUBERTUS in Valtice Castle

14th ISMRM will be held 6-12 May 2006 in Seattle Washington – program

ANZMAG 2006 will be held February 12-16 at the Murramarang National Park, NSW, Australia – Programme

Open RF Components of NMR Spectrometer

Open RF Components_2

Shim Unit DACS

Open Magnet Enclosure – Fully Shielded NdFe Permanent Magnet at 1.4 Tesla

Process NMR Associates has developed the NMR methodologies prescribed by IASC and can quantify Acemannan, glucose and Malic Acid in the presence of a Nicotinic Acid Amide Standard. Breakdown products such as acetic acid, lactic acid, pyruvic acid, succinic acid can be readily quantified as can the presence of additives such as citric and benzoic acids. Adulterants such as maltodextrin can be readily quantified and the presence of n0n-aloe vera products can also be determined.

Contact John Edwards for details.

About the lecture: Soon after the end of World War II, peaceful uses of atomic energy became a major thrust of scientific endeavor around the world. At present, the world derives 16 percent of its electricity from nuclear power, mainly in industrialized countries. The level is 20 percent in the United States and 75 percent in France. Concerns about safety in the nuclear power industry have been a source of continuing controversy for many years, and the single most important challenge in this area is what to do with nuclear waste. The spent nuclear fuel from a reactor is highly radioactive and will remain so for an extremely long time. The potential for release of radioactive material into the environment is strongly coupled to the chemical properties of the waste material, so many of the problems and many of the potential solutions are chemical in nature. This talk will present issues in current national policy and will discuss the interplay between science and policy, using several National Research Council studies to illustrate the complexity of the problem. How is scientific input obtained? How is it utilized? Does it receive the respect that it deserves? And what can you do to improve the situation?

About the speaker: Dr. Raber is a science policy consultant with GreenPoint Science, which he formed in 2004. Previously, he served for thirteen years as Director and then Senior Scholar of the Board on Chemical Sciences and Technology at the National Academy of Sciences and its operating arm, the National Research Council (NRC). Before joining the NRC in 1989, he was a member of the faculty of the University of South Florida from 1970 to 1990, publishing some 70 research articles. Dr. Raber is active in ACS governance, serving recently on the C&EN Advisory Board, the Committee on Chemistry and Public Affairs, and the Committee on Science (which he previously chaired). He recently completed several terms as the Secretary of the U.S. National Committee for IUPAC and currently serves as Chair of the Chemical Technology Operating Council of the AIChE. Dr. Raber’s responsibilities at the NRC centered on organizing and directing science and science policy studies, particularly in the areas of federal policy and its interrelationships with the chemical sciences. These efforts resulted in more than 50 reports and monographs that provide technical policy guidance on topics that encompass R&D opportunities, laboratory safety and management, nuclear waste disposal, and the threat of terrorism.

Directions: From Rte. 17M West in Middletown turn left onto Fulton Street. Turn left onto Wawayanda Ave. Turn left onto Grandview Ave. Enter parking lot on right. For complete directions and campus map, visit http://www.sunyorange.edu/aboutus/directions/index.shtml.

Meeting #2
“Nanoscale Building Blocks for Mesoscopic Materials” Dr. Tom Mallouk, Pennsylvania State University, Monday, March 20, 2006, at IBM* Refreshments: 6:15 PM, Lecture: 7:00 PM

*Registration for this talk is required. Contact Charles Davis (IBM) at 845-892-9570 or by e-mail at cdavis@us.ibm.com by March 13. Photo ID must be presented at the site. Room information and directions will be provided to all registered attendees.

About the speaker: Dr. Mallouk is the DuPont Professor of Materials Chemistry and Physics and the Director of the Center for Nanoscale Science at Penn State. His research focuses on the assembly of nanoscale materials and their applications to interesting problems in chemistry, including photocatalysis, molecular electronics, environmental remediation, fuel cell electrochemistry, chemical sensing, and catalytically driven movement.

Meeting #3
“Mechanism of Oxidation of DNA by Pt(IV) Complexes” Dr. Sunhee Choi, Department of Chemistry and Biochemistry, Middlebury College
Friday, March 31 2006, Vassar College, Refreshments:6:15 PM, Lecture:7:00 PM Mudd Chemistry Building (Room TBA)*

*Room to be announced on the Mid-Hudson ACS listserv and at www.midhudsonacs.org.
Contact Joe Tanski (Vassar) at 845-437-7503 or by e-mail at jotanski@vassar.edu.

About the lecture: Platinum complexes are biologically important for their anticancer activities. The interaction of DNA with PtII complexes has been extensively studied by many research groups. PtIV complexes are kinetically inert and their reaction with DNA was not generally expected. However, Dr. Choi’s research has shown that PtIV complexes with highly electron-withdrawing and bulky ligands have high reduction potentials and high reactivity toward 5’-GMP. Furthermore, a PtIV complex, trans-Pt(d,l)(1,2-(NH2)2C6H10)Cl4, [PtIVCl4(dach)], which has a high reduction potential, oxidizes 5’-dGMP, 3’-dGMP and 5’-d[GTTTT]-3’. Kinetic studies and the proposed mechanism will be discussed.

About the speaker: Dr. Sunhee Choi is Professor of Chemistry and Biochemistry at Middlebury College in Vermont. Dr. Choi received a B.A. degree from Seoul National University in 1973 and went on to receive a master’s degree in Physical Chemistry at the Korean Advanced Institute of Science in 1975. She earned her Ph.D. in Physical Chemistry at Princeton University in 1982 in the laboratory of Professor Thomas G. Spiro. After her Ph.D. she became an industrial chemist at Colgate-Palmolive where she was awarded the Colgate Presidential Award for Technical Excellence and obtained a U.S. Patent for cold water detergency. In the fall of 1987, she joined the faculty at Middlebury. Dr. Choi is active in research in metals in biological system with many of her undergraduate colleagues. Her research has been funded from a variety of sources such as the National Institutes of Health, National Science Foundation, Petroleum Research Fund, Research Corporation, and Vermont-EPSCOR.

Directions: Vassar College is located off Raymond Avenue in Poughkeepsie, NY. Refer to the following link for driving directions and campus map: http://www.vassar.edu/directions/. Enter the Main Entrance of the campus on Raymond Avenue and The Main Building and College Center are in front of the Main Entrance. The Security Guard at the Main Entrance will direct you to parking. The Villard Room is on the second floor of the Main Building/College Center. The Alumnae House is located across the street from the tennis courts on Raymond Ave at Vassar.