Prof. Na Guo | Computational Chemistry | Research Excellence Award

Published on by Computer Scientists Awards

Prof. Na Guo | Computational Chemistry | Research Excellence Award

Professor | Guang’an Institute of Technology | China

Prof. Guo Na is a computational and physical chemist whose research bridges quantum chemistry, materials science, and nanomaterials for next-generation catalysis and energy technologies. Her work focuses on unraveling atomic-scale mechanisms that govern chemical reactivity, electrocatalytic conversion, and low-dimensional material behavior, with strong emphasis on first-principles modeling, computational simulations, and structure–property relationships in two-dimensional systems. She has made influential contributions to the design of atomically precise catalysts, including graphene-based platforms, single-atom catalysts, metal–carbon monolayers, and photo-responsive nanomaterials. Her studies have advanced understanding of electrochemical hydrogenation, CO2/CO reduction, nitrogen reduction, and molecular reactivity at metal–surface interfaces, providing pathways for sustainable chemical transformations. Across her career, she has collaborated extensively on multidisciplinary investigations published in leading journals such as Nature, Nature Communications, JACS, Angewandte Chemie, and Advanced Materials. Her research has also shed light on the physics of low-dimensional materials, optoelectronic modulation, and nanoscale device behavior, supported by advanced computational modeling of charge transfer, catalytic activation, and surface dynamics. Her publication record is reflected in Scopus with 107 citations from 107 documents and an h-index of 2, alongside additional visibility on Google Scholar, highlighting both the breadth and collaborative nature of her work. Overall, her research portfolio integrates theoretical rigor with practical applications in catalysis, clean energy, electronic materials, and molecular engineering, contributing significantly to material innovation and sustainable chemistry.

Publication Profile

Scopus

Featured Publications

Liu, X., Hu, C., Guo, N., Li, X., & Liu, B. (2025). Ruthenium-catalyzed electrochemical ketone hydrogenation to secondary alcohols under ambient conditions. Angewandte Chemie International Edition.

Tang, S., Guo, N., Chen, C., Yao, B., Liu, X., Ma, C., Liu, Q., Ren, S., He, C., & Liu, B. (2025). Electrochemical alkyne semi-hydrogenation via proton-coupled electron transfer on Cu(111) surface. Angewandte Chemie.

Yang, H., Guo, N., Zhang, C., Wang, L., et al. (2025). Scalable H2O2 production via O2 reduction using immobilized vanadyl phthalocyanine. Angewandte Chemie International Edition.

Su, J., Guo, N., Lu, J., Zhang, C., et al. (2024). Intelligent synthesis of magnetic nanographenes via chemist-intuited atomic robotic probe. Nature Synthesis.

Lyv, P., Guo, N., Lu, J., Zhang, C., et al. (2024). Air-stable wafer-scale ferromagnetic metallo-carbon nitride monolayer. Journal of the American Chemical Society.

 

Assoc. Prof. Dr. Essa M. Saied | Computer-Aided Drug Design | Research Excellence Award

Published on by Computer Scientists Awards

Assoc. Prof. Dr. Essa M. Saied | Computer-Aided Drug Design | Research Excellence Award

Humboldt University of Berlin | Germany

Dr. Essa M. Saied is a distinguished bioorganic and biochemistry researcher whose work bridges synthetic medicinal chemistry, lipid biology, and small-molecule drug discovery. His research focuses on designing and synthesizing bioactive molecules, stereoselective synthetic methodologies, heterocyclic compounds, and lipid-based probes to investigate fundamental biological processes. He has made landmark contributions to understanding sphingolipid metabolism, ceramidase activity, lipid transfer mechanisms, and the structure–function relationships of bioactive lipids. His expertise spans synthetic chemistry, combinatorial library design, high-throughput screening, molecular modelling, virtual screening, enzymatic assay development, and structure–activity relationship optimization. Dr. Saied’s research has advanced knowledge of lipid-associated diseases, anticancer agents, antimicrobial strategies, and molecular mechanisms underlying metabolic and neurological disorders. He has authored around 70 peer-reviewed publications with strong global impact, reflected in a Scopus h-index of 31 with over 2,229 citations and a Google Scholar h-index of 35 with more than 2,872 citations. His body of work is widely referenced across the fields of lipidomics, medicinal chemistry, structural biology, and biochemical pharmacology. Dr. Saied’s publications include pioneering structural studies of adiponectin receptors, mechanistic analysis of ceramide-related pathways, discovery of small-molecule enzyme inhibitors, and the development of innovative analytical and spectroscopic tools to characterize lipid isomers. His research output demonstrates a consistent record of high-impact contributions, shaping modern understanding of lipid chemistry and its role in human disease.

Publication Profile

Scopus | ORCID | Google Scholar

Featured Publications 

Vasiliauskaite-Brooks, I., Sounier, R., Rochaix, P., Bellot, G., Fortier, M., Hoh, F., Bechara, C., Saied, E. M., Arenz, C., Leyrat, C., De Colibus, L., & Granier, S. (2017). Structural basis for the ceramidase activity of adiponectin receptors. Nature, 544, 120–123. Citations: 230.

Vasiliauskaité-Brooks, I., Healey, R. D., Rochaix, P., Saint-Paul, J., Sounier, R., Grison, C., Waltrich-Augusto, T., Fortier, M., Hoh, F., Saied, E. M., Arenz, C., Leyrat, C., & Granier, S. (2018). Structure of a human intramembrane ceramidase explains enzymatic dysfunction found in leukodystrophy. Nature Communications, 9, 5437. Citations: 51.

Lone, M. A., Huelsmeier, A. J., Saied, E. M., Karsai, G., Arenz, C., von Eckardstein, A., & Hornemann, T. (2020). Subunit composition of the mammalian serine-palmitoyltransferase defines the spectrum of straight and methyl-branched long-chain bases. Proceedings of the National Academy of Sciences, 117, 15591–15598. Citations: 85.

Saied, E. M., El-Maradny, Y. A., Osman, A. A., Darwish, A. M. G., Abo Nahas, H. H., & El-Seedi, H. R. (2021). A comprehensive review about the molecular structure of SARS-CoV-2: Insights into natural products against COVID-19. Pharmaceutics, 13, 1759. Citations: 66.

Kirschbaum, C., Saied, E. M., Greis, K., Mucha, E., Gewinner, S., Schöllkopf, W., Meijer, G. J. M., von Helden, G., Poad, B. L. J., Blanksby, S. J., Arenz, C., & Pagel, K. (2020). Resolving sphingolipid isomers using cryogenic infrared spectroscopy. Angewandte Chemie, 132, 13740. Citations: 51.