The 2024 Emerging Leader in Molecular Spectroscopy Award

This year’s Emerging Leader in Molecular Spectroscopy Award recipient is Joseph P. Smith of Merck, whose research is significantly influencing pharmaceutical process development through his work in various spectroscopic techniques, biocatalysis, protein engineering, vaccine production, and advanced data analysis methods.

Joseph P. Smith, the director of Data Rich Experimentation at Merck & Co., has established himself as a young leader in the field of molecular spectroscopy. His extensive research spans a multitude of spectroscopic techniques, including Raman, Fourier-transform infrared (FT-IR), UV-vis, fluorescence, and dielectric spectroscopy. Smith’s work is particularly influential in the realm of pharmaceutical process development, where he focuses on biocatalysis, protein engineering, and vaccine production. His expertise encompasses hyperspectral and chemical imaging, machine learning (ML), chemometrics, and various iterations of multivariate analysis, with a significant emphasis on process analytical technology (PAT) and in situ analysis. He is the winner of the 2024 Emerging Leader in Molecular Spectroscopy Award, which will be presented to him at the SciX 2024 Conference, taking place from October 20–25 at the Raleigh Convention Center in Raleigh, North Carolina.

Joseph P. Smith

Spectroscopy’s Emerging Leader in Molecular Spectroscopy Award recognizes the achievements and aspirations of a talented young molecular spectroscopist who has made strides early in their career toward the advancement of molecular spectroscopy techniques and applications. The winner must be within 10 years of receiving their PhD in the year the award is presented. The award is given to a researcher who has focused the majority of their work in the field of vibrational or electronic spectroscopy, with direct contributions to Raman, infrared, near-infrared, terahertz, fluorescence, or UV-vis spectroscopy through original research on the development or advancement of theory, instrumentation, measurement techniques, or applications.

“Dr. Smith is a rising star within the spectroscopy and analytical chemistry communities, and in his young career, [he] has made significant contributions with a clear emphasis on advancing the field of molecular spectroscopy,” said Barry K. Lavine, professor at Oklahoma State University.

Smith earned his Bachelor of Science degree in chemistry in 2012 from Penn State University, and received his PhD in analytical chemistry from the University of Delaware (Department of Chemistry & Biochemistry) in Newark, Delaware in 2017, with advisement from Karl S. Booksh. His thesis title was, “Raman Microspectroscopic Imaging and Multivariate Analysis to Investigate the Chemical Properties of Novel Geological and Planetary Materials.”

With an h-index of 15, an i10-index of 18, and over 1200 citations in Google Scholar, Smith has published in such journals as Advanced Energy Materials, ACS Nano, ACS Catalysis, Nature, Carbon, Analyst, Geology, Applied Spectroscopy, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, Analytical Chemistry, Chemical Data Collections, Spectrochimica Acta Part B: Atomic Spectroscopy, Organic Process Research & Development, Journal of Pharmaceutical and Biomedical Analysis, Journal of Analytical Atomic Spectrometry, Talanta, ACS Sustainable Chemistry & Engineering, International Journal of Pharmaceutics, Synthesis, Journal of Chemometrics, The AAPS Journal, Biotechnology and Bioengineering, Organic Process Research & Development, physica status solidi, and more. His work is widely recognized and frequently cited, highlighting its significant impact on the field. Smith has delivered 58 presentations at national and international conferences, including 28 invited oral presentations and 6 award presentations, underscoring his role as a leading new voice in spectroscopy and analytical chemistry.

Smith’s research has involved multiple analytical techniques and data processing methods, including Raman, FT-IR, UV-vis, fluorescence, excitation-emission matrix (EEM) spectroscopy, dielectric spectroscopy, hyperspectral imaging, chemical imaging, Raman microscopy, and sensors. His data processing research has included the techniques of ML, chemometrics, multivariate analysis, data science, and PAT. Smith has applied these methods to in situ analysis, pharmaceuticals, small molecules, biocatalysis, protein engineering, vaccine development and manufacturing, and process research and development.

Most Notable Research

The following descriptions of Smith’s work point the breadth and depth of his research efforts. This work includes publications in the journals ACS Central Science, Analyst, Journal of Pharmaceutical and Biomedical Analysis, Spectrochimica Acta Part A, and Analytical Chemistry.

One of Smith’s most innovative studies, published in the journal ACS Central Science in 2023 (1), introduced a modernized ML approach to illuminate enzyme immobilization for biocatalysis. This innovative work, featured on the journal’s front cover, combined Raman spectroscopy and hyperspectral imaging with non-negative matrix factorization-based ML. This research provided a method to allow for the spatial resolution and molecular identification of immobilized enzyme systems, significantly advancing pharmaceutical biocatalysis and protein engineering efforts (1).

In 2022, Smith’s work on in situ real-time monitoring of emulsification and homogenization processes for vaccine adjuvants was published in Analyst, and this research marked a pivotal advancement in PAT-based analytical methods. By integrating Raman spectroscopy, focused beam reflectance measurements (FBRM), and inline optical microscopy, this work provided real-time analysis of vaccine adjuvant production, resulting in an innovative approach to enhance the efficiency and reliability of vaccine production (2).

Another significant contribution by Smith is his 2022 study on process monitoring of polysaccharide deketalization for vaccine bioconjugation development, published in the Journal of Pharmaceutical and Biomedical Analysis. In this work, Smith developed an FT-IR spectroscopy-based in situ PAT tool for pneumococcal conjugate vaccine production, enabling real-time monitoring of the polysaccharide deketalization processes, thus facilitating scalable and efficient vaccine development (3).

Smith’s publication in Spectrochimica Acta Part A introduced an in-line PAT method using Raman spectroscopy for real-time analysis of cysteine during pharmaceutical processes (4). This method allows for monitoring dynamic concentration changes, providing a unique tool applicable across small molecules, biologics, and vaccines.

In 2021, Smith published work in the journal Analytical Chemistry employing Raman spectroscopy and hyperspectral imaging (HSI) with multivariate curve resolution (MCR) to elucidate enzyme immobilization for biocatalysis (5). This method quantifies enzyme coverage on immobilized supports, offering a rapid and definitive evaluation of immobilized enzyme processes, thereby benefiting pharmaceutical research and development.

Other Key Contributions

Smith’s contributions to research extend beyond his most notable works. In 2024, he published a study in the International Journal of Pharmaceutics introducing in situ dielectric spectroscopy as a PAT tool for real-time analysis of live-virus vaccine production (6). This innovation allows for the determination of cell viability and density during vaccine production.

Smith’s work in Pharmaceutical Research employed partial least squares discriminant analysis (PLS-DA) with Raman spectroscopy and hyperspectral imaging for the identification and classification of enzyme immobilization supports (7). This method enhances process development methodologies by offering new analytical techniques.

A publication in the journal Bioanalysis described a fluorescence spectroscopy-based PAT methodology for real-time monitoring of CRM-197-polysaccharide bioconjugation kinetics, further advancing vaccine production processes (8).

Smith co-authored a comprehensive review of PAT applications in pharmaceutical asymmetric synthesis, which was published in the journal Talanta in 2023, and provided a valuable resource for the scientific community, highlighting the relevance of molecular spectroscopy in this critical area (9).

The International Journal of Pharmaceutics showcased Smith’s use of Raman and FT-IR spectroscopy for real-time monitoring of ketal deprotection reactions, offering valuable new insights for process optimization (10).

Smith giving an oral presentation to colleagues at Merck focused on next generation technologies at the intersection of data science and hyperspectral imaging to advance pharmaceutical process research & development applications. (Courtesy of Joseph P. Smith, 2024).

Service to the Scientific Community

Beyond his research, Smith has made substantial contributions through his service to the scientific community. As a reviewer for over 16 scientific journals, including Analytical Chemistry, Analyst, Talanta, and Scientific Reports, he ensures the quality and integrity of published research.

Smith actively mentors postdoctoral research fellows and interns at Merck, fostering the next generation of scientists. He also volunteers for the NSF-funded Science and Engineering Leadership Experience (SELI) Research Experience for Undergraduates (REU) Program, supporting students with disabilities in science and engineering.

As a member and volunteer for the Society for Applied Spectroscopy (SAS) Early Career Committee, Smith helps early-career scientists engage with pharmaceutical and industrial professionals, guiding them towards potential career paths. His role as a lead ambassador and recruiter for Merck, particularly with fostering collaborations with the University of Delaware, strengthens the ties between academia and industry.

Smith’s leadership extends to the National Institute for Innovation in Manufacturing Biopharmaceuticals (NIIMBL), where he leads Merck’s involvement in vaccine manufacturing and analytical characterization initiatives. He also served as President of the Society for Applied Spectroscopy (SAS) University of Delaware Chapter, organizing outreach activities and events to promote spectroscopy knowledge sharing and collaboration across disciplines.

Additionally, Smith was elected as a representative for the Chemistry & Biochemistry Department at the University of Delaware, advocating for graduate student interests. Smith’s pioneering research, extensive publication record, and dedicated service to the scientific community exemplify his role as an emerging leader in spectroscopy. His innovative contributions continue to shape the future of analytical chemistry and pharmaceutical process development, earning him well-deserved recognition as the winner of Spectroscopy magazine’s 2024 Emerging Leader in Spectroscopy Award.

Key Awards and Honors

Smith’s career is punctuated by several awards and honors, recognizing his contributions to analytical chemistry and spectroscopy.

“Dr. Smith is truly a shining star within Merck, and in his young career, [he] has made significant contributions to both the internal and external scientific communities with a clear emphasis on advancing the fields of molecular spectroscopy and analytical chemistry at large,” said Ian Mangion, Distinguished Scientist at Merck.

In 2023, Smith was awarded Merck’s Analytical Research & Development Outstanding Highlight for his groundbreaking work on advanced data analysis for virus-like particle size distribution determination. This award acknowledged his development of rapid new analytical technologies for the quantitative determination of virus-like particle size and size distributions, a significant advancement in this field.

Smith working on a Raman microscope to develop data-rich technologies that enable process research & development efforts, including elucidating immobilized enzymes for biocatalysis and studying virus-like particles for vaccine applications. (Courtesy of Joseph P. Smith, 2024).

In 2022, Smith received the same award for his pioneering research in driving ML and spectroscopic methodologies to enhance vaccine production. This award demonstrated recognition for his role in improving vaccine manufacturing processes through modern analytical techniques.

In 2021, Smith was honored with the Merck Innovation Award for his outstanding research, which showcased new analytical technology using PAT to significantly impact vaccine process development. This award underscored his contributions to making vaccine production more efficient and reliable.

Smith’s consistent excellence in research earned him the Merck Scientific Excellence Award in 2020 for his work titled “Process Analytical Technology across Analytical Research & Development (AR&D): Building Next Generation Analytical.” This recognition was a testament to his leadership in advancing PAT within the field of analytical research.

In 2019, Smith’s innovative spirit was recognized with the Green & Sustainable Science Symposium Award for his work on “MK-1454 Commercial Route Development: Innovation Inspired by Nature.” This award celebrated his excellence in developing sustainable and innovative research methodologies.

Earlier in his career, in 2017, Smith was honored with multiple awards. He received the Bruce R. Kowalski Award in Chemometrics from the Society for Applied Spectroscopy for his outstanding contributions as a young researcher in the field of chemometrics. Additionally, he was awarded the Glenn S. Skinner Memorial Prize for his exceptional performance in scholarship, research, and teaching. Smith also earned the Silver Symposium Award for Excellence in Research and Communicating Science, highlighting his ability to effectively convey complex scientific concepts.

Smith working in the Merck research laboratories, where he is utilizing process analytical technology (PAT) for deeper process understanding across small molecules, biologics, and vaccines. (Courtesy of Joseph P. Smith, 2024).

In the same year, Smith was awarded a graduate fellowship by the NASA Delaware Space Grant College and Fellowship Program for the 2017–2018 academic year, though he did not accept it due to his graduation. The previous year, in 2016, he had also received the same fellowship, which underscored his potential as a future leader in space-related analytical research.

Smith’s excellence in teaching was recognized with the University of Delaware Excellence in Teaching Award and the Elizabeth Dyer Award for Excellence in Teaching in 2016. That year, he also won first place for Best Graduate Poster at the Delaware American Chemical Society (ACS) and Industry Poster Session, demonstrating his ability to present his research effectively.

In 2016, he was honored with the Eastern Analytical Symposium (EAS) Graduate Student Award, sponsored by Merck & Co., for his research in analytical chemistry, further solidifying his reputation as a promising young scientist.

Smith’s award journey began with his recognition as a Merck & Co.’s Future Talent Program Recipient in Analytical Chemistry in 2012. This early acknowledgment of his abilities was followed by the C. Thomas Seitz Trustee Scholarship in Chemistry in 2011–2012, which supported his studies and research endeavors.

These awards and honors collectively illustrate Smith’s contributions to the field of analytical chemistry and his continuous pursuit of innovation and excellence. The praise of current leaders in analytical chemistry carries a voice of its own regarding Smith’s potential as a researcher and though leader.

“Smith’s prolific early career has clearly shown tremendous advances in the spectroscopic and analytical communities,” Booksh said. “He has truly advanced the state of the art, in which he has centered his research around ML, chemometrics, spectroscopy, and hyperspectral imaging for development of new analytical methodologies while simultaneously offering innovative applications of both existing and new tools for cutting-edge research.”

The spectroscopic community will surely look toward such emerging leaders in analytical science and spectroscopy to move the techniques, instrumentation, and data analysis forward for new developments in future pharmaceuticals, materials, foods and technologies.

References

(1) Wei, H.; Smith, J. P. Modernized Machine Learning Approach to Illuminate Enzyme Immobilization for Biocatalysis. ACS Cent. Sci. 2023, 9 (10), 1913–1926. DOI: 10.1021/acscentsci.3c00757

(2) Ralbovsky, N. M.; Soukup, R. J.; Lomont, J. P.; Lauro, M. L.; Gulasarian, A.; Saha-Shah, A.; Winters, M. A.; Richardson, D. D.; Wang, S. C.; Mangion, I.; Smith, J. P. In situ Real Time Monitoring of Emulsification and Homogenization Processes for Vaccine Adjuvants. Analyst 2022, 147 (3), 378–386. DOI: 10.1039/D1AN01797G

(3) Lomont, J. P.; Ralbovsky, N. M.; Guza, C.; Saha-Shah, A.; Burzynski, J.; Konietzko, J.; Wang, S. C.; McHugh, P. M.; Mangion, I.; Smith, J. P. Process Monitoring of Polysaccharide Deketalization for Vaccine Bioconjugation Development Using in situ Analytical Methodology. J. Pharm. Biomed. Anal. 2022, 209, 114533. DOI: 10.1016/j.jpba.2021.114533

(4) Lomont, J. P.; Smith, J. P. In situ Raman Spectroscopy for Real Time Detection of Cysteine. Spectrochim. Acta A Mol. Biomol. Spectrosc. 2022, 274, 121068. DOI: 10.1016/j.saa.2022.121068

(5) Ralbovsky, N. M.; Smith, J. P. Machine Learning and Chemical Imaging to Elucidate Enzyme Immobilization for Biocatalysis. Anal. Chem. 2021, 93 (35), 11973–11981. DOI: 10.1021/acs.analchem.1c01909

(6) Lomont, J. P.; Smith, J. P. In situ Process Analytical Technology for Real Time Viable Cell Density and Cell Viability During Live-Virus Vaccine Production. Int. J. Pharm. 2024, 649, 123630. DOI: 10.1016/j.ijpharm.2023.123630

(7) Ralbovsky, N. M.; Smith, J. P. Machine Learning for Prediction, Classification, and Identification of Immobilized Enzymes for Biocatalysis. Pharm. Res. 2023, 40, 1479–1490. DOI: 10.1007/s11095-022-03457-x

(8) Saha-Shah, A.; Smith, J. P.; Konietzko, J.; Costell, E.; McHugh, P. M.; Lo-Mont, J. P.; Mangion, I. Real-Time In Situ Monitoring of CRM-197 and Polysaccharide Conjugation Reaction by Fluorescence Spectroscopy. Bioanalysis 2023, 15 (9), 493–501. DOI: 10.4155/bio-2023-0010

(9) Ralbovsky, N. M.; Smith, J. P. Process Analytical Technology and its Recent Applications for Asymmetric Synthesis. Talanta 2023, 252, 123787. DOI: 10.1016/j.talanta.2022.123787

(10) Ralbovsky, N. M.; Lomont, J. P.; Ruccolo, S.; Konietzko, J.; McHugh, P. M.; Wang, S.C.; Mangion, I.; Smith, J. P. Utilizing in situ Spectroscopic Tools to Monitor Ketal Deprotection Processes. Int. J. Pharm. 2022, 611, 121324. DOI: 10.1016/j.ijpharm.2021.121324

Jerome Workman, Jr. serves on the Editorial Advisory Board of Spectroscopy and is the Senior Technical Editor for LCGC and Spectroscopy. He is the co-host of the Analytically Speaking podcast and has published multiple reference text volumes, including the three-volume Academic Press Handbook of Organic Compounds, the five-volume The Concise Handbook of Analytical Spectroscopy, the 2nd edition of Practical Guide and Spectral Atlas for Interpretive Near-Infrared Spectroscopy, the 2nd edition of Chemometrics in Spectroscopy, and the 4th edition of The Handbook of Near-Infrared Analysis. Direct correspondence to: JWorkman@MJHlifesciences.com●