Small Molecule Structure Characterisation
The Small Molecule Structure Characterisation capability enables the study of compounds using nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry to provide information about the structure and dynamics of molecules ranging in size from a simple water molecule to intact protein.
We offer a comprehensive range of services tailored to meet the diverse needs of researchers in academia and industry, ranging from instrument access and routine analysis to complex structural elucidation and dynamic studies.
Whether you are identifying the structure of unknown substances, studying the movement of molecules in solution, developing new materials and therapeutic drugs, or analysing the composition of complex samples (e.g., food, rocks, wastewater), our dedicated staff can provide expert advice and customised support.
- Structural Analysis
Characterise the structure and conformation of small molecules, compounds, chemicals, metabolites, drugs, peptides and proteins.
- Quantitative Analysis qNMR and Pharmaceutical NMR Analytical Services
Precisely measure the concentrations of specific chemical compounds. Identify and profile impurities and unknowns in an active pharmaceutical ingredient (API) or product, often supported with information from sensitive liquid chromatography-mass spectrometry (LC-MS) techniques. This approach can also be applied to other investigation types such as suspected falsified medicine analysis, and as part of our broad capacities within pharmaceutical impurity testing.
- Identification of Unknown Compounds
Using 1D and 2D experiments, predict and identify chemical structures of unknown substances, natural products, synthetic products, using NMR spectroscopy, LC- MS and information from databases or known standards.
- Kinetic Studies
Measure molecular and reaction kinetics using specialised NMR techniques, such as variable temperature and variable delay time. This is valuable in studying enzyme kinetics or monitoring chemical reactions.
- Diffusion NMR and Dynamic Studies
Study the motions (e.g., rotation, translation, diffusion) of molecules, measure diffusion coefficients, and gain information about molecular interactions and three-dimensional (3D) structural information. This can be used in developing new materials such as polymers and therapeutic drugs.
- Multinuclear NMR
Our instruments can measure nuclei with frequencies between 31P – 15N.
- Customised experiment design
We collaborate with researchers in experimental design, data acquisition, and interpretation tailored to specific needs.
- Training for students and users to self-operate the instruments
Bruker 500 MHz Avance Neo UltraShield Plus NMR Spectrometer
Equipped with Prodigy BBO H&F Cryoprobe – 5 mm. Automatic system for tuning and matching and a BCU for variable temperature experiments in the range between -30 – +150º. The SampleCase holds 24 samples.
Bruker 400 MHz Avance III HD Ultrasheild Ascend NMR Spectrometer
Equipped with a BBO 400SI 5 mm probe. Automatic system for tuning and matching and BCU for variable temperature experiments in the range between -80 – 150º. The SampleXpress holds 60 samples.
Shimadzu iSeries LC-2060C and LC-MS 2050
LC with a PDA detector combined with a single quadrupole mass spectrometer accuracy within 5 ppm. Capable of analysing a wide range of compounds from high to low polarity. Identification of unknown samples. Impurity analysis in mixed compounds. Methods for small molecules and peptides. Another key feature is the additional Open Solutions software add-on to streamline the user experience with simple and clear operation and data analysis. It also allows remote data interrogation and automated queuing of samples.
Agilent 6530 Accurate-mass Q-TOF LC-Mass Spectrometer
Includes LC system with autosampler for mass accuracy within 2 ppm. Easy to use set-up for multi-compound untargeted screening and quantitation that can do everything from proteomics to metabolomics and glycomics. It has much higher sensitivity and accuracy compared with the iSeries to produce publication-quality spectra of small molecules.
Quality is an integral part of our research platform's purpose and value. We are committed to providing our customers, industry partners and academic collaborators with services and products that are of high quality, consistent and compliant.
Our platforms strive to be recognised and trusted by researchers as an excellent research service provider that constantly meet or exceed customer expectations. To achieve this, we have implemented a Quality Management System (QMS) across Research Platforms that operates on all our campuses.
Our QMS is aligned to the AS/NZS ISO 9001:2016 standard and the University’s Research 2030: Research and Engagement Plan 2020-2024. In alignment with the ISO standard, efforts are focused on understanding customer needs and ensuring their satisfaction, as well as continuously improving service provision in the pursuit of research excellence. The services provided by Research Platforms are also underpinned by our cultural qualities: to be connected, innovative, accountable and caring.
The Research Platforms quality policy embraces the following key principles:
- Building a mutually beneficial relationship with customers, ensuring their long-term success through the understanding of, and meeting, their needs.
- Nurturing a quality mindset with the objective of providing services that are trusted and preferred by internal and external researchers and deliver on our Research Plan Objective 1: Research Excellence.
- Complying with all relevant laws and regulations as well as internal policies and requirements.
- Continuously challenging all Research Platforms to improve the QMS to prevent quality incidents, eliminate errors, accelerate research, and ensure high quality data through efficient business processes, best-practice and well-defined goals.
- Encouraging involvement in quality responsibilities amongst all Research Platform personnel, researchers and relevant third parties through quality standards, education, training and mentoring, supervision and effective internal and external communication.
Our platforms are currently seeking to achieve ISO9001 accreditation as part of their commitment to their customers. Work to obtain verification by independent third-party certification bodies is ongoing.
The platform’s contributions to research outputs (e.g., publications, presentations, posters) should be acknowledged where possible. These contributions could include:
- paid technical help and services
- accessing research equipment
- scientific advice
- writing assistance.
Proper acknowledgement enables us to demonstrate our value to the research community and highlight our impact on research excellence, which is critical to securing continued funding for our services. Our staff are also researchers with extensive experience and citing them helps to advance their careers.
In cases where substantial intellectual and experimental contributions were made by platform staff, co-authorship must also be offered in accordance with the Australian Code for the Responsible Conduct of Research, regardless of whether payment was made for the services. Researchers should also notify the platform of any publications arising from the support provided by our staff, regardless of whether a co-authorship is offered.
Learn more about how to acknowledge us:
All publications resulting from the use of our services and facilities should include this acknowledgement:
‘The authors acknowledge the La Trobe University [Platform Name] for [support received].’
e.g., The authors acknowledge the La Trobe University Proteomics and Metabolomics Platform for the provision of instrumentation, training and technical support.
OR
e.g., The authors acknowledge the La Trobe University Statistics Consultancy Platform for providing advice on statistical analysis.
If you received significant assistance, guidance or help from our platform staff, or where staff have personally generated research data, they should be acknowledged by name:
‘The authors thank [Staff Name] from the La Trobe University [Platform Name] for [his/her/their] support and guidance in this work.’
e.g., The authors thank [Staff Name] from the La Trobe University Proteomics and Metabolomics Platform for collecting and analysing data for proteomics studies, shown in Figure X.
If a platform staff contribute more than just routine techniques or advice, they should be invited to be a co-author on the publications that describe the data. This applies to the development or adaptation of protocols to suit specific experiments, samples or materials, (re)design of experiments, and extensive data analysis and interpretation.
Co-authorship is independent of whether payment was made for the work/ service.
Access
We work with both academic researchers and industry partners, including pharmaceutical and biotechnology companies.
We have a range of access models to suit your needs, including:
- Fee-for-service work
We can conduct full fee-for-service for researchers based on bespoke project requirements. - Access to instruments
We also provide training to qualified users to self-operate our instruments on a fee-per-hour basis.
Contact us
For more information and to discuss your requirements, please contact: Ms Daniela Briceno or Proteomics Metabolomics Platform.