EASTERN ANALYTICAL SYMPOSIUM & EXPOSITION 2022 Abstract Book

Significance of the topic

The Eastern Analytical Symposium 2022 assembled a broad cross-section of modern analytical chemistry focused on high-impact areas: improving sensitivity and throughput for bioanalysis and small-molecule separations, non‑destructive and field-forward forensic and environmental screening, characterization of complex biotherapeutics and viral vectors, integration of AI/ML with spectroscopy and NMR, greener analytical workflows, and practical laboratory automation and data-management solutions.

Goals and overview of the program

• Showcase novel measurement strategies and instrumentation that address real-world challenges in pharmaceuticals, forensics, environmental science, and life-science manufacturing.
• Present advances in analytical method development (chromatography, electrochemistry, mass spectrometry, vibrational spectroscopy, NMR) and the use of chemometrics/ML to make multidimensional data actionable.
• Discuss robustness, method migration, and best practices for regulated testing (e.g., PFAS, cannabinoids, residuals, drug‑product impurities).
• Encourage cross-disciplinary translation of tools (e.g., portable spectroscopy for on-scene analysis, citizen science imaging platforms for plankton monitoring).

Methodologies and analytical approaches

• Chromatography: innovations included trapping micro‑LC-MS for ultra‑sensitive protein quantification, multifactorial in-silico chromatography modeling and LC simulators for method migration, vacuum‑jacketed columns to reduce post‑column dispersion for UHPLC‑MS, HILIC migration considerations, and modernized impurity separations using charged‑surface phases with MS‑compatible mobile phases.
• Mass spectrometry & ion mobility: high‑resolution ion‑mobility (SLIM, TIMS) coupled with QTOF or Orbitrap for resolving glycan isomers and complex proteoforms; 2DLC‑MS workflows for simultaneous AEX-MS and RPLC‑MS characterization of AAV capsids; IR‑MALDESI MSI with system suitability testing; DART with pulsed gas for rapid 3D‑printed polymer compositional fingerprints; CMS (coulometric mass spectrometry) for absolute protein quantitation without isotopic standards.
• Vibrational spectroscopy and Raman variants: Raman/SERS applied to forensic trace evidence (fibers, fentanyl analogues, body-fluid ID via chemometrics), A‑TEEM (combined absorbance–fluorescence) paired with ML for food/pharma/water quality, mid‑IR handheld solutions for food contaminants, and pump‑probe microscopy for pigment photochemistry.
• NMR and computational advances: deep‑learning driven NMR processing and autonomous analysis (decoupling, CEST), covariance/spectral matrix methods to extract hidden correlations for biomolecular assignments, and multi‑dimensional strategies to recover isotropic solid‑state NMR signals to boost resolution.
• Electrochemistry & biosensing: magnetic preconcentration metalloimmunoassays for point-of-care NT‑proBNP; light‑addressable electrochemistry with semiconductor/metal nanoparticle junctions to localize electrochemistry; high‑throughput serial/parallel electrochemical screening for reaction discovery; bioelectrocatalysis and engineered biosensors combined with ML for objective biomarker detection (e.g., pain markers).
• Sample preparation & extraction: QuEChERS and SPE strategies for PFAS and produced‑water analysis; thin‑film SPME for produced water; pyrolysis‑GC‑MS with dedicated libraries for microplastics; HPTLC for novel psychoactive substances; strategies for robust extraction automation (tablet processing workstations, online SPE for serum PFAS).
• Forensic-focused workflows: non‑destructive Raman combined with chemometrics for body‑fluid identification and TSD estimates, validated LC‑QQQ methods for screening currency for fentanyl, GC‑QQQ for smokeless powder additives, and microscopy/SEM‑EDS/XPS approaches for failure and counterfeit investigations.

Instrumentation used

• High‑field and solid‑state NMR spectrometers and DNN‑assisted processing toolchains.
• UHPLC/LC systems with trapping micro‑LC, online SPE units (Chronos), capillary LC pumps and miniaturized UV detectors (LED), and vacuum‑jacketed column assemblies.
• Mass spectrometers: QTOF, Orbitrap, SLIM‑QTOF, TIMS‑TOF, triple quadrupole (QQQ), GC‑QQQ/MS, direct‑infusion TIMS, DART with pulsed gas, and portable MS variants.
• Ionization and imaging sources: IR‑MALDESI MSI, ESI, pyrolysis microfurnace GC‑MS, pump‑probe microscopy.
• Vibrational spectroscopy: benchtop and portable Raman and SERS, FT‑IR, A‑TEEM (absorbance & fluorescence), NIR portable devices and multispectral sensors.
• Surface and microanalysis: SEM/EDS, XPS, TOF‑SIMS, confocal Raman micro‑spectroscopy, optical microscopy, HPTLC imaging systems.
• Electrochemical platforms: potentiostats for ASV and LAES, SECCM for localized electrochemistry, high‑throughput electrochemical arrays.
• Automation & digitalization: Tablet Processing Workstation (TPW), Sotax AT‑70, automated fraction collectors, cloud‑based data pipelines for Empower data export, Java/Raspberry Pi controllers for instrument automation.

Main results and discussion

• Sensitivity & selectivity gains: multiple presentations demonstrated methods that push detection limits — e.g., ASV for Au nanoparticle sizing and stability, CMS for absolute protein quantitation and deamidation measurement without standards, trapping micro‑LC matching nano‑LC sensitivity with greater throughput and robustness.
• Isomer and structural resolution: high‑resolution ion mobility (SLIM, TIMS) enabled baseline separation of glycan isomers; tandem 2DLC‑MS approaches separated empty vs full AAV capsids and characterized viral protein modifications; spectral deconvolution aided cyclic peptide metabolite mapping.
• Non‑destructive forensic workflows: Raman paired with chemometrics achieved reliable discrimination of body fluids and PFAS exposure in fish plasma, offering rapid on‑scene or field‑deployable screening with preservation of DNA for downstream analysis.
• AI/ML augmenting spectroscopy and NMR: deep neural networks achieved homonuclear decoupling and autonomous analysis of complex NMR experiments; multi‑block ML fused orthogonal A‑TEEM data to improve discrimination and quantitation in food/pharma/water matrices.
• Green and sustainability initiatives: DOZN™2.0 provides a quantitative green chemistry scoring tool adopted by industry; miniaturized capillary LC approaches and reduced solvent workflows (e.g., capillary separations and microfurnace pyrolysis) reduce waste and cost.
• Operational lessons & method robustness: several talks addressed method migration risks (gradient delays, system dispersion, autosampler wash effects), absorptive carryover tied to autosampler and wash protocols, and the need for systematic system suitability testing for MSI platforms.

Practical benefits and applications

• Pharmaceutical development and QC: enhanced impurity profiling, earlier CQA predictions via in‑silico and ML tools, improved HOS characterization for biotherapeutics using vibrational spectroscopy and automated biophysical platforms, and integrated cloud data systems for consistent reporting.
• Forensics and law enforcement: rapid, minimally invasive Raman/SERS and portable spectroscopy enable on‑scene screening of illicit drugs, fentanyl analogues, gunshot residues, fibers and body fluids while preserving evidence for DNA analysis.
• Environmental monitoring: PFAS screening in fish serum via Raman, detailed produced‑water compositional profiling using SPME–GC‑MS and elemental ICP‑MS workflows, and citizen science imaging platforms for plankton monitoring to scale biological observations.
• Analytical productivity: automation of extraction and chromatography reduced manual labor and variability; high‑throughput electrochemistry and capillary LC workflows enable faster screening with substantially lower solvent use.
• Commercialization and standards: several translational efforts were described (e.g., commercialization of Raman body‑fluid identification via startup efforts, DOZN™2.0 validation, expansion of PROVEDIt NGS datasets) pointing to maturation of research into deployable tools.

Future trends and potential applications

• Convergence of AI/ML with instrumentation: expect broader adoption of DNNs and ML pipelines for autonomous data processing (NMR, MSI, Raman) and for extracting robust predictions from high‑dimensional measurements.
• Higher dimensional separations: continued development of ion mobility technologies (SLIM, TIMS), 2D‑LC workflows, and combined spectroscopic‑MS platforms to resolve isomers and complex proteoforms.
• Miniaturization and field deployment: proliferation of low‑cost multispectral sensors, portable Raman/IR, and compact LC‑MS systems will expand in‑field screening and citizen science applications while increasing data volumes and the need for remote/cloud analytics.
• Green analytics and micro‑sampling: adoption of capillary LC, reduced solvent workflows, and validated greener scoring systems for product and reagent selection.
• Standardization and reproducibility: more system‑suitability frameworks, shared databases (e.g., PROVEDIt expansions), and validated calibration strategies for isomeric/isotopomer quantitation will be needed to translate advanced analytics into regulated contexts.

Conclusions

The 2022 EAS meeting highlighted a continued shift toward multidimensional, data‑rich analytical strategies that combine advanced instrumentation, chemometrics/ML, and practical process engineering. Key themes were improving sensitivity and structural resolution (especially for biotherapeutics and complex mixtures), migrating powerful lab techniques into robust, field‑deployable formats for forensics and environmental monitoring, and operationalizing greener and higher‑throughput workflows. The conference reinforced that analytical innovation today is as much about robust data pipelines, automation, and method transfer as it is about new detectors and separations chemistry.

References

No formal literature reference list was provided in the source abstract book; the summaries above synthesize the conference abstracts and presentations in the 2022 EAS Abstract Book (Eastern Analytical Symposium, November 2022).