Structural Analysis

Magnetic Resonance

The NMR & EPR Laboratories at ARC offer advanced spectroscopy tools for studying materials, biomolecules, and electronic structures. Our labs support a wide range of research in chemistry, biochemistry, materials science, and more, with both self-use and full-service options available. 

Services: 

  • NMR: Liquid and (coming soon) solid-state experiments, high-throughput analysis, sample automation, and temperature control. 
  • EPR: High-sensitivity detection of paramagnetic species, temperature-dependent analysis, and cryogenic capabilities. 

Instruments: 

  • Agilent (Varian) 400MR: 400 MHz NMR for liquid samples, equipped with Automated Tuning and a 7600 Sample Changer.  
  • Bruker US400: 400 MHz NMR for liquid samples, equipped with BBFO SMART ProbeTM and 24 sample SampleCaseTM 
  • Bruker NEO400:  400 MHz NMR for liquid samples, equipped with a ProdigyTM BBFO Probe and 24 sample SampleCaseTM. 
  • Bruker Ascend 400: 400 MHz NMR for liquid samples, equipped with BBFO smart probe, and extended range VT.  
  • Bruker ELEXSYS ESR-500 X-band CW EPR spectrometer: Dual-band and high sensitivity probe options are available along with Bruker Cold Edge and cryostat for VT down to 4 K. 

 

Coming Summer 2025: 

  • Bruker AVANCE NEO 600 MHz NMR with solid-state capabilities (funded by NSF-MRI). 
  • Bruker AVANCE NEO 400 MHz NMR with 60 sample SampleCaseTM (funded by NIH-SIG S10) 

Contact NMR: Michele Mailhot

Contact EPR: Indrani Bhowmick 

Mass Spectrometry

The Self Use Mass Spectrometry (MS) Laboratory at ARC provides a diverse range of mass spectrometry solutions for molecular identification, structural analysis, and quantitative applications across various sample types. Our instrumentation supports gas chromatography (GC), liquid chromatography (LC), infusion, dried, and thermal desorption techniques, offering flexibility for a wide range of analytical needs.  

Services: 

  • Molecular Identification & Structure Determination – Accurate mass analysis for molecular formula confirmation and fragmentation pattern analysis. 
  • Intact Protein Analysis – Molecular weight confirmation and detection of post-translational modifications. 
  • Polymer Characterization – MALDI-TOF/TOF analysis for molecular weight determination (0.5–500 kDa) and end-group analysis. 
  • Targeted & Untargeted Analysis – Precise screening and quantification of specific analytes and data-driven profiling of complex mixtures. 

Instruments: 

  • Agilent 6545 Q-TOF LC/MS (“TOF-U”) – Used for accurate mass analysis, metabolomics, and lipidomics. Features high resolution (45,000 FWHM) and mass accuracy (<1 ppm). 
  • Thermo ISQ with Markes Thermal Desorption GC/MS – Ideal for structure confirmation and quantitation of volatile compounds with thermal desorption. 
  • Thermo TSQ GC/MS – Targets quantitative assays for volatile compounds with triple quadrupole mass analysis. 
  • Bruker UltrafleXtreme MALDI-TOF/TOF – High-resolution MALDI-TOF/TOF mass spectrometer for analyzing macromolecules and small molecules, offering femtomolar sensitivity and advanced structural analysis. 

Contact: Dr. Claudia Boot

Spectroscopy

Our Spectroscopy Laboratory provides a range of analytical tools for the characterization of molecular structure, composition, and interactions across various sample types.

Services:

  • Molecular Characterization – Analyze molecular vibrations, functional groups, and chemical bonding in solids, liquids, and gases for a wide range of sample types.
  • Fluorescence Analysis – Characterize fluorescent molecules, quantify molecular interactions, and study electronic transitions in materials and biological systems.
  • Particle and Nanomaterial Analysis – Measure particle size, distribution, and stability in colloidal suspensions, nanoparticles, and macromolecules in solution.

Instruments:

  • Edinburgh FS5 Spectrofluorometer – High-performance fluorescence spectrometer with a 150 W xenon lamp for excitation (200-1000 nm) and emission detection (230-870 nm). Features fluorescence lifetime measurements (TCSPC), temperature-controlled and solid sample holders, and an integrating sphere for quantum yield measurements.
  • Malvern Zetasizer Nano ZS – Uses a 633 nm red laser for particle size analysis (DLS), zeta potential measurement for colloidal stability, and microrheology of protein and polymer solutions. Also enables molecular weight determination of macromolecules.
  • Nicolet iS-50 FT-IR Spectrometer – Equipped with multiple sampling accessories:
    • ATR-ZnSe for thin films, powders, and liquids.
    • Harrick Grazing Angle Reflectance for thin films on metal or semiconductor substrates.
    • Gemini Diffuse Reflectance for non-reflecting powder materials.

Contact: Dr. Indrani Bhowmick

X-ray diffraction & crystallography

The X-ray Diffraction (XRD) and Crystallography Laboratory at ARC provides advanced structural characterization services for a wide range of materials, including single crystals, powders, thin films, and solid-state samples. Our facility offers non-destructive analysis of crystallographic structures, phase identification, strain and stress evaluation, and thin-film properties.

Services:

  • X-ray Diffraction for Crystals, Powders, and Thin Films – Determine structural properties, phase composition, crystallite size, and texture.
  • Thin Film & Surface Analysis – Characterize film thickness, roughness, density, and stress using techniques such as X-ray Reflectivity (XRR) and Grazing Incidence XRD (GIXRD).
  • Single-Crystal X-ray Diffraction (SCXRD) – Obtain high-resolution 3D molecular and crystal structures for small-molecule compounds.

Our lab operates in both full-service and self-use modes, allowing researchers the flexibility to conduct their own experiments or collaborate with our experts for tailored analysis. We provide guidance in experimental design, data analysis, and structural refinement.

Instruments:

  • Bruker D8 Discover DaVinci (Powder XRD) – Non-destructive phase analysis, particle size, strain, and stress characterization of polycrystalline samples, with variable temperature capabilities (25-1200 K).
  • Bruker D8 Discover Series II (Thin Film XRD) – High-precision analysis of thin films and multilayers, including X-ray Reflectivity (XRR) for thickness and density, Grazing Incidence XRD (GIXRD) for depth profiling, and Residual Stress & Texture Analysis.
  • Bruker D8 Advance QUEST (Single Crystal XRD) – Determines 3D molecular and crystal structures of small-molecule single crystals with Mo Kα radiation, high-speed Photon 50™ detector, and variable temperature control (80-400 K).

Contact: Ethan Crace