Sample Projects: NMR Consulting, Analysis, Application Development and Automation

NMR Consulting and NMR Analysis Services
Established in 1997, we specialize particularly in the application of high resolution NMR spectroscopy to laboratory test methods and on-line applications in the refining, petrochemical, pharmaceutical, herbal supplement, alcoholic beverage and food industries. These applications can be used for QA/QC or to enable real-time control and optimization of production plant processes. We offer expert witness and technical litigation support as well as consulting and training.

NMR Application Development and Automation
We are an application development company capable of working on NMR based applications on any NMR technology platform based on our collaboration with Spinmetrix SRL that focusses on custom software development for NMR method automation and execution. We actively develop applications on 43, 60, 80, 200, and 300+ MHz NMR systems and many examples of this are found in the presentations hosted on this site and on our blog.

NMR Analytical Services
We own and operate a high field (2 x 300MHz (Liquids) and 1 x 200 MHz (Solids)) analytical NMR service laboratory for both liquid-state multi-nuclear and multi-dimensional NMR studies, as well as solid-state multi-nuclear studies utilizing magic angle spinning and cross-polarization techniques. This commercial NMR testing laboratory currently supports the work of over 300 companies. Projects range from method development to routine sample analysis and can be full service (includes interpretation) or simply data collection and reporting where PDF data reports or raw data are delivered to the customer.

NMR Applications – Capabilities of NMR

NMR Based Analyses that Have Been Recently Performed by Process NMR Associates

Crude Oil Analysis – TBP and Other Assay Information, Average Molecule Parameters, Hydrogen Content
Hydrocarbon Fuel Analysis – Diesel, Kerosene, Gasoline, Cycle Oils, Biomass Conversion Products
Cracked Petroleum Product Analysis – Olefin Speciation in Naphtha, ICCS, HCCS, Coker Naphtha, Coker Gas Oils
Olefin Analysis of Cracked Products by NMR
Expert Witness and Court Case Related Technical Services
Lubricant Oil – Detailed Chemistry Analysis by ¹³C NMR
Training of Petroleum Company NMR Personnel in Detailed Hydrocarbon Analysis by Liquid and Solid-State NMR
Training of Petroleum Company NMR Personnel in Chemometric Applications in NMR of Petroleum Products
³¹P NMR Analysis of Zinc and Molybdenum Thiophosphate and Thiocarbamate Anti-Wear Additives
Chemometric Analysis Correlating NMR of Petroleum and Petrochemical Products with Chemical and Physical Properties
Heavy Petroleum Characterization – Heavy Oils, Residues, Vacuum Gas Oils, Shale, Kerogen, Tar Sands, Bitumen, Tar, Pitch
Asphaltene Analysis by Liquid and Solid-State ¹H/¹³C NMR
Edible Oil Analysis – ¹H, ¹³C and ³¹P NMR of Oils – Stability Studies, Classification Studies, Adulteration Detection
Essential Oils Analysis – ¹H and ¹³C NMR – Identification and Adulteration Detection
Product Purity Analysis – USP <761>
Aloe Vera Quality Analysis – ¹H NMR Method for Quality Inspection, Identification and Adulteration Detection
Nopal Quality Analysis – Method Developed Similar to IASC Aloe Vera Test
Quantitative Analysis and Authentification of Gum Arabic and Other Commercial Gums by ¹³C and ¹H NMR
Competitive Analysis – Polymers, Commercial Additive Products
Automobile Fuel Tank Contaminant Analysis
Troubleshooting NMR Analysis of Problematic Materials (Deposits, Sludge, Process Fouling Materials)
Engine Deposit Analysis by Solid-State ¹³C NMR – Combustion Chamber Deposits (CCD), Intake Valve Deposits (IVD), Crankcase Sludge
Correlation of Fuel Chemistry with Deposit Fromation Tendancies – Effects and Quantification of Additives
²H NMR Tracer Studies of D₂O and Other Deuterated Molecules in Fuels and Reaction Processes
Solid-State ¹³C NMR of Diesel Engine Soot
Naphtha Analysis – Full Speciated PIONA by NMR
FCC and RCC Feed Analysis by ¹³C NMR – Carbon PNA Values + Average Molecule Description for Reactor Model Development
Catalyst Characterization – Solid-State NMR – ²⁷Al, ³¹P, ²⁹Si of Molecular Sieves and Heterogeneous Catalysts
Catalysts Deactivation Studies – ¹³C and ²⁹Si Coking
Service and Development of Predictive Models Utilized in 30+ Online NMR Systems Engaged in Process Control and Optimization
Polymer Additive Identification
Small Molecule Characterization – (1D, 2D (COSY, NOESY, HETCOR, HMBC, HNQC), and Multinuclear NMR)
Mobile NMR Projects with Low Field Spectrometer and Surface Explorer Probe/Magnet – Literally NMR in your Hands
Lipids Analysis
NMR Laboratory Instruction at Marist College
Instruction and Mentoring of Undergraduates Engaged in Multi-Year Analytical Research Projects
Instruction and Technical Support of Academic NMR Facilities
Lignocellulosics and Cellulose Analysis Related to Biorefinery Applications
Ethanol Fuel Analysis by ¹H and ¹³C NMR
Lycopene Analysis from Extractive Process
Alkene Analysis by ¹H and ¹³C NMR
Polymer Analysis – Detailed Backbone Analysis – Many Kinds of Polymers – Nylons, Acrylates, Acrylics, Polyesters, Polyimides, etc.
Polymer End-Group Analysis and Molecular Weight Calculation by NMR – Nylons, Acrylates, Acrylics, Polyesters, Polyimides, etc.
Tagging Experiments – Identification of Labile Hydrogen Functionality by Reaction With Chlorophospholane and ³¹P NMR
¹¹⁹Sn Tagging NMR – Mercaptan, Alcohol, Phenol, Acid, Amine Characterization
Solid-State NMR of Gasification and Pyrolysis Feed Streams – Slurries, Plastics, Sewage, Cellulosics
Black Liquor Analysis by ¹³C and ¹H NMR
Red Oil and Acid Strength Analysis of Acid Alkylation Sulfuric Acid by ¹H NMR
USP and ASTM (D4273-05 / D4875-05) Poloxamer Analysis by ¹H and ¹³C NMR
Butyl-Tin Quality Analysis by ¹¹⁹Sn NMR
⁷⁷Se NMR
Animal Fats – Biodiesel Conversion Process and Products Analysis
Liquid- and Solid-State ¹³C NMR of Collagen
EPDM, EPDM-PP, Ethylene Propylene, Ethylene-Propylene-Butylene Terpolymer Analysis by ¹³C and ¹H NMR
Phosphorus Chemistry Analysis by ³¹P NMR
Relaxation Measurements (T₁, T₂, T_CH, T_1r) at Low and High Field
Coal Analysis by Solid-State ¹³C NMR
Solid-State NMR of Tobacco
Solid-State NMR Analysis of Herbs and Spices – Authentification
Process Analysis by Online NMR – Refinery and Petrochemical Applications (See Process NMR Applications)
Heavy Water (D₂O) Purity Analysis
Polyvinyl Alcohol Analysis by Solid-State NMR and Low Resolution TD-NMR – wwelling and crosslinking studies
Contrast Agent Analysis by ¹³C or Relaxation Analysis
Gasket and Rubber Analysis by Multinuclear (¹H,¹³C,²⁹Si NMR and Relaxation (T₁,T₂)Analysis
NMR of Adhesives – ¹H-¹³C-²⁹Si
Rubber Analysis by Low Field NMR Surface Probe – Curing and Cross-Linking by ¹H Echo and CPMG Experiments
Cement Analysis – Solid-State ¹H, ²⁹Si, ²⁷Al NMR – Relaxation Studies
Moisture Content of Cement and Many Other Materials by Low Field NMR
Lignin Characterization – Solid-State ¹³C NMR
Sodium Analysis of Food and Beverage by ²³Na NMR
Carbohydrate and Polysaccharide Analysis – Liquid and Solid-State ¹H, ¹³C and ¹⁷O NMR
Process Fluids Analysis – Chip Manufacturing
Surface Modification of Medical Device Materials – Solid-State ¹⁹F, ²⁹Si, ¹³C NMR
Structure – Activity Determination and Correlation (Polymers, Additives, Petroleum Products)
Dairy Product Analysis by NMR – Cheese, Milk, Cream Cheese, Evaporative Process Intermediates
Contamination Analysis
Time-Domain NMR Analysis of Soap – Physical Property Relationships to T2 and T1 Relaxation
Humic Acid and Fulvic Acid Analysis by Liquid and Solid-State NMR
NMR Relaxometry of Cheese
Moisture Analysis by Low Field NMR
Inverse Laplace Transformations Yielding T² Distributions
Spin Finish of Fibers by Low Field NMR
Solid Fat Content by Low Field NMR
Total Hydrogen Content by Low Field Pulsed NMR (ASTM D7171-05 / D3701-01 / D4808-01)
Aromatic Carbon Contents of Hydrocarbon Oils by High Resolution Nuclear Magnetic Resonance Spectroscopy (D5)
Determination of Linear Low Density Polyethylene (LLDPE) Composition by Carbon-13 Nuclear Magnetic Resonance (D5017-96)
³¹P, ²³Na and ¹H NMR of Cheese
¹³C Solid State NMR Analysis of Food Adulteration – Particularly Gums and Maltodextrin Adulteration
Liquid-State NMR Analysis of Food Adulteration
Adulteration of Gum Arabic – by Liquid and Solid-State ¹³C NMR
¹⁷O NMR Analysis of Water
¹H/¹³C/³¹P NMR of Oligonucleotides
Adulteration of Licorice with Maltodextrin by Liquid and Solid-State ¹H/¹³C NMR
Trans- Fat Analysis in Oils by ¹H and ¹³C NMR
Biodiesel Analysis by ¹H and ¹³C NMR – Transesterification Process Monitoring and B20 and B100 Quality Measurement
Biomass Analysis – ¹³C NMR
Gas-to-Liquids Product Analysis – Detailed iso-paraffin analysis by ¹³C NMR required for patent infringement issues
Filter Contamination Assessment – ¹³C NMR of Dirty and Clean Filters for Identification of Causes of Low Flow
Biomass-to-Fuels Conversion – Solid-State ¹³C NMR
Waste-to-Liquids, Coal-to-Liquids, and Gas-to Liquids Liquid Product Analysis by FT-IR, NMR, and Simulated Distillation
Dimethyl Ether (DME) Product Analysis by NMR
Development of Low Cost NMR Consoles to Upgrade RF Electronics in Benchtop NMR Systems
Dairy Product Analysis – Fat Content, Water Content – by Low-Field NMR
Polymer Cross-Linking Studies Utilizing Variable Contact Time Experiments
Amorphous Content of Pharmaceutical Solids
Polymorph Identification by Solid-State ¹³C NMR
Pesticide Phosphorus Chemistry by ³¹P NMR
Fischer-Tropsch Hydrocarbon Product Analysis by ¹H and ¹³C NMR – Detailed iso-paraffin analysis by ¹³C NMR
Application of Detailed NMR Analysis to Intellectual Property Issues
Olefin Analysis of Synthetic Fuels
Development of Low Cost NMR Consoles to Upgrade RF Electronics in Superconducting NMR Systems
Chemometric Regression Development Chemical and Physical Properties of Synthetic Fuel
Polyurethane Reverse Engineering
Development of Benchtop Permanent Magnet NMR Systems
Development of Low Cost Superconducting NMR System Spectrometer
Specialty Coating Formulation Analysis by NMR
Polyurethane Prepolymer Formulation Analysis by NMR
Quantitative Acrylate Polymer Analysis of Complex Mixtures by ¹H and ¹³C NMR
Caprolactone, Adipate, Neopentyl Glycol, Hexandiol, Butandiol, Ethylene Glycol, Methacrylate, BuMA, MMA Component Mixtures
Termination Chemistry Probes by ³¹P NMR of Chlorophosphalane Derivatives
Adhesives Chemistry Analysis by NMR
Inclusion Complex Analysis – Variable Contact Time Experiments
²H Food Authentification Methodologies
Oil/Water Emulsion Characterization
Teflon and ETFE Studies Utiling ¹H-¹³C and ¹⁹F-¹³C Solid-State NMR Analysis
Multinuclear NMR (¹H, ³¹P, ²³Na) Analysis of Salt Formation in Cheese
Oil-Fat-Water Analysis of Food Stuffs by High Field and Low Field NMR
Natural Product NMR Analysis
Wind Turbine Oil Analysis by ³¹P and ¹H/¹³C NMR
Polyol and Polyether Analysis by NMR – ¹H and ¹³C
Functionalized Polyolefin Analysis by Liquid and Solid-State NMR
Solid-State ¹³C NMR of Extraterrestrial Material – Meteors and Comets
Solid-State ¹³C NMR of Materials Created During Cometary Impacts
Biotechnology Small Molecule Analysis by ¹H NMR
Bulletproof Vest Analysis by Solid-State ³¹P and ¹³C NMR Analysis
Solid-State NMR of Polyvinyl Alcohol and Other Gel Materials
Solid-State ¹³C NMR Analysis of Nanodiamonds, Nanocarbon, Activated Carbons and Charcoals
Solid-State and Liquid-State NMR of Modified Fullerenes
¹H and ¹³C NMR of Extracted Soils from Oil Spill Locations for Crude/Petroleum Product Identification
European Pharmacopoeia – Fish Oil Analysis – ¹³C NMR of Fatty Acid Distribution
Oil in Seeds by Low Field NMR
¹H and ¹³C NMR Analysis of Acacia senegal, Acacia seyal, Acacia polyacantha, Combretum
Spin Diffusion (DOSY) NMR Analysis
GC analysis of Essential Oils
Analysis and Comparison of Flame-Retardent Polymers
¹H and ¹³C NMR of Inclusion Complexes in Cyclodextrins
¹H and ¹³C NMR of BASF Pluronics
Solid-State and Low Field NMR of Clays
Polynuclear Aromatic Distributions in Petroleum by ¹H NMR Analysis – Correlation to UV and HPLC/UV Methods
Simulated Distillation Analysis of Crude Oils – Relationships to ¹H and ¹³C NMR
Simulated Distillation Analysis of VGO and Slurry Oils – Relationships to ¹H and ¹³C NMR
Simulated Distillation Analysis of Diesel Fuels – Relationship to NMR and Sulfur Analysis
GC Simulated Distillation Analysis – D2887, D3710, D5307, D6352
Transformer Oil Analysis
Hydrogen Content Analysis and Method Development in Middle Distillates and Heavy Petroleum Residues by ASTM D-7171
Cyclodextrin-Vitamin E and PEO-Thiourea Inclusion Complexes by Solid-State NMR
UHMWPE – Solid-State ¹³C NMR Analysis
Inverse Laplace Transformation of CPMG Profiles Obtained from Food, Cosmetic, and Petroleum Products
Solid Fat Content Analysis of Shea Butter, Chocolate, Dairy Butter by TD-NMR
Chitosan Acetylation Determination
FTIR-ATR – Chemometric Model Development for FCC/RCC Feed and Diesel Analysis
Development of ¹H NMR Methodologies to Calculate Detailed ¹³C NMR Structural Parameters in Petroleum Products and Crude Oils
Development of Magnetic Field Independent NMR Multivariate Statistical Models to Predict Chemical and Physical Properties of Petroleum
¹H and ¹³C NMR Analysis of Polar and Apolar Fractions in Butter and Margarine
Process NMR Application for Butter Analysis – Oil/Fat Ratio
Construction of 60 MHz TD-NMR Magnet and Spectrometer
Development of TD-NMR Spectrometer Console for Upgrading Older Minispec and Oxford Instrument Machines
Unilateral NMR Analyzer Development
Coal and Petroleum Asphaltene Analysis by Liquids and Solids 13C and 1H NMR
In-Situ Combustion and Catalysis Products Analysis
Fischer Trospch CTL and GTL Products Analysis – Diesel and Jet Fuel
Correlation of PAH Distributions to ¹³C and ¹H NMR Analysis
Raman, FTIR-ATR, NMR, SimDis – Combined analysis of Diesel Fuels
ESR Analysis of Vanadium and Organic Radicals in Crude oils, Residues, and Cracker Feeds
Combination of NMR and ESR in a Single Platform Analyzer
Sodium Analysis of Snack Foods and Soups by Low Field NMR Instrumentation
Nanomaterials Analysis by Multinuclear NMR Spectroscopy and Relaxation Comparisons
Correlation of Diesel Carbon Number Distributions – Simulated Distillation Analysis Correlated to NMR
FTIR-ATR Database Development for Petroleum Products, Essential and Edible Oils, Polyurethane