Hyunseob Lim | Chemistry | Best Researcher Award

Prof. Hyunseob Lim | Chemistry | Best Researcher Award

Associate Professor From Gwangju Institute of Science and Technology, South Korea

Dr. Hyunseob Lim is a distinguished scientist and academic whose research career spans over a decade with a strong emphasis on chemistry, nanomaterials, and two-dimensional (2D) materials. He currently holds multiple appointments, including Associate Professor in the Department of Chemistry at Gwangju Institute of Science and Technology (GIST), Research Fellow at the Institute for Basic Science (IBS), and Adjunct Professor in Semiconductor Engineering at GIST. Dr. Lim’s work bridges the gap between fundamental science and real-world applications, with contributions to material synthesis, surface chemistry, quantum materials, and optoelectronic devices. He has consistently demonstrated leadership in pioneering methods for material characterization and epitaxial growth, reflected in his extensive publication record in high-impact journals. His multidisciplinary approach integrates experimental innovation with theoretical insight, making him a key contributor to the advancement of nano- and quantum technologies in Korea and beyond. Throughout his career, Dr. Lim has earned a reputation for academic rigor, collaborative spirit, and visionary research leadership. His professional journey reflects a dynamic progression from early postdoctoral roles in Korea and Japan to securing tenure-track and professorial positions at leading research institutions. Dr. Lim continues to expand the frontiers of material science through innovative research, mentoring, and interdisciplinary collaboration.

Professional Profile

 Education

Dr. Hyunseob Lim completed both his undergraduate and doctoral studies at the prestigious Pohang University of Science and Technology (POSTECH) in South Korea, a leading institution renowned for its strong emphasis on research and innovation in science and engineering. He earned his Bachelor of Science (B.S.) degree in Chemistry in February 2006, establishing a solid foundation in the core principles of chemical sciences. Driven by a deep interest in materials chemistry and nanotechnology, Dr. Lim continued his academic journey at POSTECH, where he pursued a Ph.D. in Chemistry under the guidance of Professor HeeCheul Choi. During his doctoral research from March 2006 to February 2011, he focused on the functional surface chemistry of carbon-based nanomaterials, including fullerenes, carbon nanotubes, and graphene. His dissertation, titled “The Studies of Functional Surface Chemistry on Fullerene, Carbon Nanotube and Graphene: Development, Characterization and Application,” reflects his early and profound engagement with nanostructured materials, a theme that would continue throughout his career. His doctoral work demonstrated not only technical expertise in synthesis and surface characterization but also a visionary outlook on the application potential of low-dimensional carbon systems. This solid academic foundation laid the groundwork for his later success in cutting-edge research on 2D materials and hybrid nanostructures.

Professional Experience

Dr. Hyunseob Lim has built a distinguished academic and research career marked by progressive appointments at leading institutions in Korea and Japan. Since 2022, he has served as an Associate Professor in the Department of Chemistry at the Gwangju Institute of Science and Technology (GIST), where he is also a Research Fellow at the Center for Quantum Conversion Research at the Institute for Basic Science (IBS) from 2024 and an Adjunct Professor in the Department of Semiconductor Engineering at GIST starting in 2025. Prior to this, he was an Assistant Professor at GIST (2019–2022) and at Chonnam National University (2017–2019), contributing significantly to teaching and research development in both institutions. His earlier career includes a tenure-track Research Fellowship at the IBS Center for Multidimensional Carbon Materials (2014–2017) and an Adjunct Professorship at UNIST (2014–2016). Dr. Lim’s international experience includes postdoctoral research at RIKEN in Japan (2012–2014) and a visiting scientist role at RIKEN’s BYON Initiative (2011–2012). He also worked as a postdoctoral researcher at POSTECH’s Center for Electron-Phonon Behavior (2011–2012). This diverse trajectory has allowed Dr. Lim to cultivate deep expertise in advanced materials research, interdisciplinary collaboration, and high-impact publication, reinforcing his status as a respected leader in the field of nanoscience.

Research Interest

Dr. Hyunseob Lim’s research is centered at the intersection of surface chemistry, low-dimensional materials, and advanced nanostructures, with a strong focus on two-dimensional (2D) materials such as graphene, MoS₂, and covalent organic frameworks. His scientific curiosity lies in understanding the fundamental chemistry that governs the growth, transformation, and interaction of these materials at the atomic scale. He is particularly interested in exploring how surface functionalization and interface engineering can modulate electronic, optical, and catalytic properties in 2D systems. His research spans both experimental and theoretical approaches to uncover mechanisms of epitaxial growth, phase transition, and defect engineering in nanomaterials. Dr. Lim also investigates hybrid nanostructures that combine inorganic and organic components to achieve synergistic functionality for next-generation applications, including flexible electronics, quantum devices, energy storage systems, and neuromorphic computing. He is deeply engaged in developing residue-free and scalable synthesis techniques, as well as novel photochemical and electrochemical strategies for device-level integration. Furthermore, his interest extends to in situ and operando characterization, enabling real-time observation of material behavior under working conditions. Through these multidisciplinary endeavors, Dr. Lim aims to bridge the gap between fundamental materials science and practical device applications, contributing to the advancement of both academic knowledge and technological innovation.

Research Skills

Dr. Hyunseob Lim possesses a broad and versatile skill set that spans the synthesis, characterization, and functionalization of advanced nanomaterials, with a core emphasis on two-dimensional materials and surface chemistry. He is highly proficient in chemical vapor deposition (CVD) and solution-based synthesis techniques for producing atomically thin materials such as graphene, MoS₂, and various covalent organic frameworks. His expertise includes precise control of molecular precursors and substrate interactions to engineer material growth modes and morphologies. Dr. Lim is adept in in situ and ex situ characterization methods, including Raman spectroscopy, scanning tunneling microscopy (STM), atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS), and transmission electron microscopy (TEM), allowing detailed surface and interface analysis at the nanoscale. He also has experience in spectroelectrochemical and photophysical studies to explore catalytic, optoelectronic, and energy-related properties of nanostructures. In addition, he integrates computational approaches and theoretical modeling to understand material behavior and guide experimental design. His ability to translate fundamental findings into real-world applications is evident in his development of residue-free transfer methods, high-performance device architectures, and responsive materials for sensing, energy storage, and synaptic electronics. These interdisciplinary capabilities have positioned Dr. Lim as a dynamic researcher bridging chemistry, materials science, and applied nanotechnology.

Awards and Honors

Throughout his career, Dr. Hyunseob Lim has been recognized for his outstanding contributions to the fields of surface chemistry, nanomaterials, and two-dimensional materials research. His pioneering work in the synthesis and characterization of low-dimensional materials has garnered attention in both national and international scientific communities. He has received numerous accolades for his high-impact publications in prestigious journals such as Nature Communications, Advanced Materials, Nano Letters, and ACS Nano, reflecting the academic value and innovation of his research. During his postdoctoral training and early faculty appointments, he was awarded competitive research fellowships and grant funding from renowned institutions, including the Institute for Basic Science (IBS) in Korea and RIKEN in Japan, where he conducted breakthrough research on carbon-based nanomaterials. His interdisciplinary collaborations have led to influential patents and technology transfers in the fields of advanced materials and optoelectronics. In recognition of his contributions to education and mentoring, he has been honored by student bodies and academic committees at both GIST and Chonnam National University. His dedication to excellence and continuous advancement in scientific knowledge underscores his reputation as a leading figure in materials chemistry. These honors reflect not only his academic impact but also his commitment to fostering a culture of innovation and integrity in science.

Conclusion

Dr. Hyunseob Lim stands as a distinguished scholar and innovator in the realm of chemistry and materials science, with a career that exemplifies academic excellence, research creativity, and interdisciplinary collaboration. From his foundational training at POSTECH to his leadership roles at GIST and the Institute for Basic Science, Dr. Lim has consistently pushed the frontiers of nanomaterials, surface chemistry, and two-dimensional systems. His deep understanding of synthesis, surface analysis, and device integration has enabled the development of cutting-edge technologies, contributing significantly to both fundamental science and real-world applications. Through an impressive body of scholarly work, Dr. Lim has not only advanced the scientific understanding of material behaviors at the atomic level but has also laid the groundwork for innovations in electronics, energy storage, and sensing platforms. As an educator, he continues to inspire the next generation of scientists, fostering a research environment that values curiosity, rigor, and ethical inquiry. His ongoing commitment to collaborative research, both nationally and internationally, positions him as a key player in the global scientific community. Looking forward, Dr. Lim is poised to continue making transformative contributions to materials science, chemistry, and nanotechnology, driving innovation across academia and industry.

Publications Top Notes

  1. Title: Exploring the efficient catalytic activity of mixed-phase palladium selenides in oxygen reduction reaction
    Authors: Hyeonju Kim, Sua Yu, Sunghyun Kim, Hafidatul Wahidah, Jong-Guk Ahn, Chaehyeon Ahn, Soyoung Kim, Jong Wook Hong, Sukwon Hong, Hyunseob Lim
    Year: 2025

  2. Title: Au@h‐BN Core–Shell Nanostructure as Advanced Shell‐Isolated Nanoparticles for In Situ Electrochemical Raman Spectroscopy in Alkaline Environments
    Authors: Jee Hyeon Kim, Jihyun Ra, Younghee Park, Junyeon Yoon, Eunji Lee, Hyunseob Lim
    Year: 2025

  3. Title: Residue‐Free Fabrication of 2D Materials Using van der Waals Interactions
    Authors: Minyoung Lee, Changho Kim, Soon‐Yong Kwon, Kayoung Lee, Giyoon Kwak, Hyunseob Lim, Jae Hun Seol
    Year: 2025

  4. Title: Proton-electron coupling and mixed conductivity in a hydrogen-bonded coordination polymer
    Authors: Minju Park, Huiyeong Ju, Joohee Oh, Kwangmin Park, Hyunseob Lim, Seok Min Yoon, Intek Song
    Year: 2025

  5. Title: Photochemical and Patternable Synthesis of 2D Covalent Organic Framework Thin Film Using Dynamic Liquid/Solid Interface
    Authors: Taewoong Kim, Joohee Oh, Seung Cheol Kim, Jong‐Guk Ahn, Soyoung Kim, Young Yong Kim, Hyunseob Lim
    Year: 2024

  6. Title: The effect of photodissociation of confined water on photoemission behaviors of monolayer MoS2
    Authors: Chaehyeon Ahn, Jong-Guk Ahn, Seokmo Hong, Hyun Woo Kim, Hyunseob Lim
    Year: 2024

  7. Title: Anomalous one-dimensional quantum confinement effect in graphene nanowrinkle
    Authors: Jong-Guk Ahn, Jee Hyeon Kim, Minhui Lee, Yousoo Kim, Jaehoon Jung, Hyunseob Lim
    Year: 2023

  8. Title: Engineering Geometric Electrodes for Electric Field‐Enhanced High‐Performance Flexible In‐Plane Micro‐Supercapacitors
    Authors: Jihong Kim, Sung Min Wi, Jong‐Guk Ahn, Sangjun Son, HeeYoung Lim, Yeonsu Park, Hye Ji Eun, Jong Bae Park, Hyunseob Lim, Sangyeon Pak et al.
    Year: 2023

  9. Title: Critical Role of Surface Termination of Sapphire Substrates in Crystallographic Epitaxial Growth of MoS₂ Using Inorganic Molecular Precursors
    Authors: Younghee Park, Chaehyeon Ahn, Jong-Guk Ahn, Jee Hyeon Kim, Jaehoon Jung, Juseung Oh, Sunmin Ryu, Soyoung Kim, Seung Cheol Kim, Taewoong Kim et al.
    Year: 2023

  10. Title: Synthesis of monolayer 2D MoS₂ quantum dots and nanomesh films by inorganic molecular chemical vapor deposition for quantum confinement effect control
    Authors: Chaehyeon Ahn, Hyunseob Lim
    Year: 2022

  11. Title: Van Hove Singularity in Graphene Nanowrinkle Grown on Ni(111) Generated by Pseudo One-Dimensional Electron Confinement
    Authors: Jong-Guk Ahn, Jee Hyeon Kim, Minhui Lee, Yousoo Kim, Jaehoon Jung, Hyunseob Lim
    Year: 2022

  12. Title: Vapor pressure-controllable molecular inorganic precursors for growth of monolayer WS₂: Influence of precursor-substrate interaction on growth thermodynamics
    Authors: Jee Hyeon Kim, Chaehyeon Ahn, Jong-Guk Ahn, Younghee Park, Soyoung Kim, Daehyun Kim, Jaeyoon Baik, Jaehoon Jung, Hyunseob Lim
    Year: 2022

  13. Title: Sustainable Surface-Enhanced Raman Substrate with Hexagonal Boron Nitride Dielectric Spacer for Preventing Electric Field Cancellation at Au–Au Nanogap
    Authors: Jong-Guk Ahn, Gyeonghun Yeo, Yeji Han, Younghee Park, Jong Wook Hong, Hyunseob Lim
    Year: 2021

  14. Title: Controlled Photoinduced Electron Transfer from InP/ZnS Quantum Dots through Cu Doping: A New Prototype for the Visible-Light Photocatalytic Hydrogen Evolution Reaction
    Authors: Jiwon Bang, Sankar Das, Eun-Jin Yu, Kangwook Kim, Hyunseob Lim, Sungjee Kim, Jong Wook Hong
    Year: 2020

  15. Title: Centimeter-Scale and Highly Crystalline Two-Dimensional Alcohol: Evidence for Graphenol (C₆OH)
    Authors: Hyunseob Lim, Younghee Park, Minhui Lee, Jong-Guk Ahn, Bao Wen Li, Da Luo, Jaehoon Jung, Rodney S. Ruoff, Yousoo Kim
    Year: 2020

  16. Title: Highly Oriented Monolayer Graphene Grown on a Cu/Ni(111) Alloy Foil
    Authors: Huang, M., Biswal, M., Park, H.J., Jin, S., Qu, D., Hong, S., Zhu, Z., Qiu, L., Luo, D., Liu, X., et al.
    Year: 2018

  17. Title: Synthesis of a Scalable Two-Dimensional Covalent Organic Framework (COF) by Photon-assisted Imine Condensation Reaction on the Water Surface
    Authors: Kim, S., Lim, H., Lee, J., Choi, H.C.
    Year: 2018

  18. Title: Controlled Folding of Single Crystal Graphene
    Authors: Wang, B., Huang, M., Kim, N.Y., Cunning, B.V., Huang, Y., Qu, D., Chen, X., Jin, S., Biswal, M., Zhang, X., et al.
    Year: 2017

  19. Title: Conversion of Langmuir-Blodgett monolayers and bilayers of poly(amic acid) through polyimide to graphene
    Authors: Jo, H.J., Lyu, J.H., Ruoff, R.S., Lim, H., Yoon, S.I., Jeong, H.Y., Shin, T.J., Bielawski, C.W., Shin, H.S.
    Year: 2017

  20. Title: Probing Evolution of Twist-Angle-Dependent Interlayer Excitons in MoSe₂/WSe₂ van der Waals Heterostructures
    Authors: Nayak, P.K., Horbatenko, Y., Ahn, S., Kim, G., Lee, J.-U., Ma, K.Y., Jang, A.-R., Lim, H., Kim, D., Ryu, S., et al.
    Year: 2017

  21. Title: Rapid Photochemical Synthesis of Sea-Urchin-Shaped Hierarchical Porous COF-5 and Its Lithography-Free Patterned Growth
    Authors: Kim, S., Park, C., Lee, M., Song, I., Kim, J., Lee, M., Jung, J., Kim, Y., Lim, H., Choi, H.C.
    Year: 2017

Shaotao BAI | Chemistry | Best Researcher Award

Prof. Shaotao BAI | Chemistry | Best Researcher Award

Professor from Shenzhen Polytechnic University, China

Professor Shaotao Bai is a distinguished academic and researcher specializing in sustainable catalysis and engineering. He currently serves as a Principal Investigator, Assistant Dean, and Director of the Center for Carbon-Neutrality Catalysis and Engineering at Shenzhen Polytechnic University. His work focuses on applied homogeneous and heterogeneous catalysis, computational catalysis, and the development of innovative solutions for CO₂ capture and utilization. With a robust background in both theoretical and practical aspects of catalysis, Professor Bai has made significant contributions to advancing carbon-neutral technologies. His research has been widely recognized and has had a substantial impact on the field of sustainable energy.

Professional Profile

Education

Professor Bai’s academic journey laid a solid foundation for his career in catalysis and sustainable engineering. He earned his doctoral degree in a field pertinent to his current research focus, equipping him with the necessary knowledge and skills to excel in both academic and professional settings. His education emphasized the principles of chemical engineering and catalysis, providing him with a comprehensive understanding of the mechanisms and applications of catalytic processes. This strong educational background has been instrumental in his ability to lead cutting-edge research projects and contribute meaningfully to the scientific community.

Professional Experience

In his current role at Shenzhen Polytechnic University, Professor Bai holds multiple leadership positions, including Principal Investigator, Assistant Dean, and Director of the Center for Carbon-Neutrality Catalysis and Engineering. These roles involve overseeing research initiatives, managing academic programs, and leading efforts to develop sustainable catalytic processes. Prior to this, he gained valuable experience in various academic and research institutions, where he honed his expertise in applied catalysis and computational methods. His professional journey reflects a consistent commitment to advancing the field of catalysis and addressing global challenges related to carbon emissions and energy sustainability.

Research Interests

Professor Bai’s research interests are centered around sustainable catalysis and engineering, with a particular focus on carbon-neutral technologies. He is deeply engaged in the development of both homogeneous and heterogeneous catalytic systems aimed at efficient CO₂ capture and utilization. Additionally, his work encompasses computational catalysis, where he employs theoretical models to predict and optimize catalytic behaviors. By integrating experimental and computational approaches, Professor Bai strives to design innovative solutions that contribute to reducing carbon footprints and promoting environmental sustainability.

Research Skills

With a comprehensive skill set in catalysis and engineering, Professor Bai excels in both experimental and computational methodologies. His expertise includes designing and synthesizing catalytic materials, conducting kinetic studies, and utilizing advanced computational tools to model catalytic processes. This combination of skills enables him to approach research problems from multiple angles, facilitating the development of efficient and sustainable catalytic systems. His proficiency in bridging theoretical concepts with practical applications has been a key factor in his successful research endeavors.

Awards and Honors

Throughout his career, Professor Bai has received several accolades recognizing his contributions to the field of catalysis and sustainable engineering. These honors reflect his dedication to research excellence and his impact on advancing carbon-neutral technologies. While specific awards are not detailed in the available information, his leadership roles and professional achievements underscore the esteem in which he is held by the academic and scientific communities.

Conclusion

Professor Shaotao Bai’s career exemplifies a profound commitment to addressing environmental challenges through innovative research in catalysis and engineering. His leadership at Shenzhen Polytechnic University, combined with his extensive expertise in both experimental and computational approaches, positions him at the forefront of efforts to develop sustainable solutions for CO₂ capture and utilization. As the global community continues to prioritize carbon neutrality, Professor Bai’s work remains instrumental in driving progress toward a more sustainable and environmentally responsible future.

Publications Top Notes​

  1. Title: Homogeneous and heterogeneous catalysts for hydrogenation of CO₂ to methanol under mild conditions
    Authors: S.T. Bai, G. De Smet, Y. Liao, R. Sun, C. Zhou, M. Beller, B.U.W. Maes, B.F. Sels
    Journal: Chemical Society Reviews
    Year: 2021
    Citations: 265

  2. Title: Heterogeneous catalysts for CO₂ hydrogenation to formic acid/formate: from nanoscale to single atom
    Authors: R. Sun, Y. Liao, S.T. Bai, M. Zheng, C. Zhou, T. Zhang, B.F. Sels
    Journal: Energy & Environmental Science
    Year: 2021
    Citations: 229

  3. Title: Hydrogen Bond Directed ortho-Selective C−H Borylation of Secondary Aromatic Amides
    Authors: S.T. Bai, C.B. Bheeter, J.N.H. Reek
    Journal: Angewandte Chemie International Edition
    Year: 2019
    Citations: 73

  4. Title: Lignin‐first monomers to catechol: rational cleavage of C−O and C−C bonds over zeolites
    Authors: X. Wu, Y. Liao, J. Bomon, G. Tian, S.T. Bai, K. Van Aelst, Q. Zhang, et al.
    Journal: ChemSusChem
    Year: 2022
    Citations: 37

  5. Title: A 13-million turnover-number anionic Ir-catalyst for a selective industrial route to chiral nicotine
    Authors: C. Yin, Y.F. Jiang, F. Huang, C.Q. Xu, Y. Pan, S. Gao, G.Q. Chen, X. Ding, S.T. Bai, et al.
    Journal: Nature Communications
    Year: 2023
    Citations: 35

  6. Title: Rhodium‐Catalyzed Chemo‐, Regio‐ and Enantioselective Hydroformylation of Cyclopropyl‐Functionalized Trisubstituted Alkenes
    Authors: S. Li, D. Zhang, R. Zhang, S.T. Bai, X. Zhang
    Journal: Angewandte Chemie International Edition
    Year: 2022
    Citations: 20

  7. Title: Rational redesign of a regioselective hydroformylation catalyst for 3‐butenoic acid by supramolecular substrate orientation
    Authors: S.T. Bai, V. Sinha, A.M. Kluwer, P.R. Linnebank, Z. Abiri, B. de Bruin, J.N.H. Reek
    Journal: ChemCatChem
    Year: 2019
    Citations: 20

  8. Title: Effector responsive hydroformylation catalysis
    Authors: S.T. Bai, V. Sinha, A.M. Kluwer, P.R. Linnebank, Z. Abiri, P. Dydio, M. Lutz, et al.
    Journal: Chemical Science
    Year: 2019
    Citations: 17

  9. Title: Suppressing Dormant Ru States in the Presence of Conventional Metal Oxides Promotes the Ru-MACHO-BH-Catalyzed Integration of CO₂ Capture and …
    Authors: S.T. Bai, C. Zhou, X. Wu, R. Sun, B. Sels
    Journal: ACS Catalysis
    Year: 2021
    Citations: 16

  10. Title: Synthesis of novel N-glycoside derivatives via CuSCN-catalyzed reactions and their SGLT2 inhibition activities
    Authors: S.T. Bai, D.C. Xiong, Y. Niu, Y.F. Wu, X.S. Ye
    Journal: Tetrahedron
    Year: 2015
    Citations: 16

  11. Title: Effector enhanced enantioselective hydroformylation
    Authors: S.T. Bai, A.M. Kluwer, J.N.H. Reek
    Journal: Chemical Communications
    Year: 2019
    Citations: 10

Nadezhda Markova | Chemistry | Best Researcher Award

Assoc. Prof. Dr. Nadezhda Markova | Chemistry | Best Researcher Award

Theoretical chemistry at Institute of Organic Chemistry with Centre of Phytochemistry (IOCCP), Bulgarian 

Nadezhda Vasileva Markova is a distinguished Bulgarian scientist specializing in theoretical chemistry. She currently holds the position of Associate Professor at the Institute of Organic Chemistry with Centre of Phytochemistry, part of the Bulgarian Academy of Sciences. With a rich academic and professional background, she is renowned for her expertise in quantum chemical calculations, tautomerism, and the application of theoretical models to elucidate the structure and biological activity of plant-derived compounds. Throughout her career, she has demonstrated a strong commitment to advancing scientific knowledge through extensive research, mentoring, and collaboration with international scientific partners. Markova has co-authored 44 published and 2 accepted scientific articles, receiving over 600 citations. Her impactful research focuses on proton transfer reactions, solvent effects, and the molecular modeling of biologically active compounds. She is also recognized for her collaborative spirit and organizational skills in leading scientific projects. Her notable achievements include winning first place in the competition for high scientific achievements by the Union of Scientists in Bulgaria in 2011. Markova’s contributions continue to shape the field of theoretical and quantum chemistry, making her a leading figure in the Bulgarian scientific community.

Professional Profile

Education

Nadezhda Markova has a strong educational background in chemistry, with a focus on theoretical and organic chemistry. She earned her PhD in Theoretical Chemistry from the Bulgarian Academy of Sciences’ Institute of Organic Chemistry with Centre of Phytochemistry, where she honed her expertise in quantum chemical calculations and molecular modeling. Prior to her doctoral studies, she completed her Master of Science in Organic Chemistry at Shoumen University “Konstantin Preslavsky” between 1995 and 2000. Her master’s studies equipped her with a solid foundation in organic synthesis, analytical methods, and computational chemistry. Markova’s academic training emphasized both experimental and theoretical approaches, enabling her to develop skills in applying quantum chemical models to real-world molecular challenges. Her education has been instrumental in her ability to explore complex chemical processes, particularly in the areas of tautomerism, proton transfer reactions, and the interaction of biological molecules. With a robust academic foundation, she has continued to build on her expertise, contributing significantly to scientific research and publications in the field of theoretical chemistry.

Professional Experience

Nadezhda Markova’s professional career spans nearly two decades, during which she has held various academic and research positions at the Institute of Organic Chemistry with Centre of Phytochemistry, part of the Bulgarian Academy of Sciences. Since 2020, she has served as an Associate Professor, where she leads research projects, supervises doctoral students, and conducts cutting-edge studies in theoretical chemistry. From 2006 to 2020, she worked as an Assistant Professor, actively engaging in research focused on quantum chemical modeling, solvent effects, and the molecular structure of biologically active compounds. During her early career (2005–2006), she held the position of Chemist at the same institute, gaining hands-on experience in experimental and computational chemistry. Throughout her career, Markova has excelled in applying specialized software for quantum chemical calculations, such as GAMESS, GAUSSIAN, ChemCraft, and ChemOffice. Her professional journey highlights her dedication to advancing theoretical chemistry through meticulous research, scientific publications, and collaborative projects.

Research Interest

Nadezhda Markova’s research interests center around theoretical and quantum chemistry, with a particular focus on molecular modeling, proton transfer reactions, and solvent effects. She is deeply engaged in the study of tautomerism and its impact on the biological activity of various chemical compounds. Her work frequently explores the application of quantum chemical calculations in phytochemistry to elucidate the structure and biological action of plant-derived compounds. Additionally, Markova investigates the interactions of biologically significant molecules with nucleic acids, exploring their potential as fluorescent probes and antiviral agents. Her recent studies include the quantum chemical and metabolomic characterization of plant compounds against SARS-CoV-2 and Herpes Simplex Virus DNA polymerase, showcasing her contribution to medicinal chemistry. She is also interested in the effects of external electric fields on molecular tautomeric equilibrium, highlighting her innovative approach to molecular dynamics. Through her research, Markova aims to bridge the gap between computational models and experimental validation, offering valuable insights into molecular behavior and drug development.

Research Skills

Nadezhda Markova possesses an extensive set of research skills, particularly in the field of quantum chemical modeling and computational chemistry. She is highly proficient in utilizing specialized software for quantum chemical calculations, including GAMESS, GAUSSIAN, ChemCraft, and ChemOffice. Her expertise lies in conducting complex simulations to study proton transfer reactions, solvent effects, and tautomeric equilibria. Markova is skilled in applying hybrid statistical mechanics and quantum chemical models to investigate molecular interactions, making her a leader in the field of theoretical chemistry. Additionally, she is adept at using molecular docking and metabolomic profiling techniques to explore the inhibitory potential of natural compounds against viral enzymes. Her research skills extend to scientific writing, data analysis, and result interpretation, as evidenced by her numerous peer-reviewed publications. Furthermore, she excels in collaborating with multidisciplinary teams, organizing research projects, and mentoring doctoral students. Her technical proficiency and analytical capabilities have contributed to significant advancements in the study of molecular structure and biological activity.

Awards and Honors

Nadezhda Markova’s scientific excellence has been recognized through various awards and honors. In 2011, she achieved first place in the competition for high scientific achievements organized by the Union of Scientists in Bulgaria. This prestigious accolade highlighted her impactful contributions to the field of theoretical chemistry. Additionally, Markova’s extensive publication record—comprising 44 published and 2 accepted scientific articles—has received over 600 citations, underscoring the influence and recognition of her research within the scientific community. Her collaborative work with international research teams and participation in high-impact scientific projects further demonstrate her reputation as a leading figure in her field. Through her dedication to scientific innovation and knowledge dissemination, Markova has earned respect and recognition from peers and institutions alike. Her contributions continue to inspire and drive advancements in quantum chemical research and its applications in medicinal and organic chemistry.

Conclusion

Nadezhda Markova is a highly accomplished scientist whose expertise in theoretical chemistry has made a significant impact on the scientific community. Her academic background, extensive research experience, and proficiency in quantum chemical calculations have positioned her as a leading figure in her field. With a strong focus on molecular modeling, proton transfer reactions, and phytochemistry, she continues to push the boundaries of scientific knowledge. Markova’s dedication is reflected in her numerous publications, collaborations, and mentoring of young researchers. Her innovative work has earned her prestigious awards and widespread recognition, highlighting her role as a pioneer in quantum chemistry. As she continues to contribute to the advancement of scientific research, Markova’s legacy of excellence will undoubtedly inspire future generations of scientists and researchers.

Publications Top Notes

  1. Evaluation of chalcone derivatives for their role as antiparasitic and neuroprotectant in experimentally induced cerebral malaria mouse model

    • Authors: Shweta Sinha, Bikash Medhi, B. D. Radotra, Daniela Batovska, Nadezhda Markova, Rakesh
    • Year: 2023
  2. Potential of hydroxybenzoic acids from Graptopetalum paraguayense for inhibiting herpes simplex virus DNA polymerase – metabolome profiling, molecular docking, and quantum-chemical analysis

    • Authors: Nadezhda Todorova, Miroslav Rangelov, Ivayla Dincheva, Ilian Badjakov, Venelin Enchev, Nadezhda Markova
    • Year: 2022
  3. Potential of Hydroxybenzoic Acids From Graptopetalum paraguayense for Inhibiting Herpes Simplex Virus DNA Polymerase – Metabolome Profiling, Molecular Docking and Quantum-chemical Analysis

    • Authors: Nadezhda Hristova Todorova, Miroslav Angelov Rangelov, Ivayla Nedyalkova Dincheva, Ilian Kostadinov Badjakov, Venelin Georgiev Enchev, Nadezhda Vasileva Markova
    • Year: 2021
  4. Binding Expedient of 2‐carbamido‐1,3‐indandione to Nucleic Acids: Potential Fluorescent Probe

    • Authors: Nina Stoyanova, Nadezhda Markova, Ivan Angelov, Irena Philipova, Venelin Enchev
    • Year: 2021
  5. Ultrastructural alterations in Plasmodium falciparum induced by chalcone derivatives

    • Authors: Shweta Sinha, B.D. Radotra, Bikash Medhi, Daniela Batovska, Nadezhda Markova, Rakesh Sehgal
    • Year: 2020
  6. Anti-Herpes Simplex virus and antibacterial activities of Graptopetalum paraguayense E. Walther leaf extract: a pilot study

    • Authors: Margarita Zaharieva, Penka Genova-Kalоu, Ivayla Dincheva, Ilian Badjakov, Svetla Krumova, Venelin Enchev, Hristo Najdenski, Nadezhda Markova
    • Year: 2019
  7. Experimental and theoretical conformational studies of hydrazine derivatives bearing a chromene scaffold

    • Authors: Nadezhda V. Markova, Milen I. Rogojerov, Valentina T. Angelova, Nikolay G. Vassilev
    • Year: 2019
  8. In vitro anti-malarial efficacy of chalcones: Cytotoxicity profile, mechanism of action and their effect on erythrocytes

    • Authors: Shweta Sinha, Daniela I. Batovska, Bikash Medhi, B.D. Radotra, Anil Bhalla, Nadezhda Markova, Rakesh Sehgal
    • Year: 2019
  9. Synthesis, characterization, quantum-chemical calculations, and cytotoxic activity of 1,8-naphthalimide derivatives with non-protein amino acids

    • Authors: Ekaterina D. Naydenova, Milen N. Marinov, Georgi T. Momekov, Ralitsa Y. Prodanova, Nadezhda V. Markova, Yavor T. Voynikov, Nikolay M. Stoyanov
    • Year: 2019
  10. Tautomerism of Inosine in Water: Is It Possible?

  • Authors: Nadezhda Markova, Venelin Enchev
  • Year: 2019
  1. 2-Methylthio-imidazolins: a rare case of different tautomeric forms in solid state and in solution
  • Authors: Venelin Enchev, Nadezhda Markova, Milen Marinov, Nikolay Stoyanov, Milen Rogojerov, Aleksandr Ugrinov, Ireneusz Wawer, Dorota M. Pisklak
  • Year: 2017
  1. Green synthesis, structure and fluorescence spectra of new azacyanine dyes
  • Authors: Venelin Enchev, Nikolay Gadjev, Ivan Angelov, Stefka Minkovska, Atanas Kurutos, Nadezhda Markova, Todor Deligeorgiev
  • Year: 2017
  1. Hybrid MC/QC simulations of water-assisted proton transfer in nucleosides. Guanosine and its analog acyclovir
  • Authors: Nadezhda Markova, Ljupco Pejov, Nina Stoyanova, Venelin Enchev
  • Year: 2017
  1. Ultrasound-assisted green bromination of N-cinnamoyl amino acid amides – Structural characterization and antimicrobial evaluation
  • Authors: Borislava Stoykova, Mariya Chochkova, Gergana Ivanova, Nadezhda Markova, Venelin Enchev, Ivanka Tsvetkova, Hristo Najdenski, Miloslav Štícha, Tatiana Milkova
  • Year: 2017
  1. 2-Carbamido-1,3-indandione – A Fluorescent Molecular Probe and Sunscreen Candidate
  • Authors: Venelin Enchev, Ivan Angelov, Violeta Mantareva, Nadezhda Markova
  • Year: 2015
  1. A hybrid statistical mechanics – Quantum chemical model for proton transfer in 5-azauracil and 6-azauracil in water solution
  • Authors: Nadezhda Markova, Ljupco Pejov, Venelin Enchev
  • Year: 2015
  1. Synthesis of 3′,4′-Dihydro-2H,2′H,5H-spiro [imidazolidine-4,1′-naphthalene]-2,5-dione and its Derivatives
  • Authors: Milen Marinov, Plamena Marinova, Nikolay Stoyanov, Nadezhda Markova, Venelin Enchev
  • Year: 2014
  1. A model system with intramolecular hydrogen bonding: Effect of external electric field on the tautomeric conversion and electronic structures
  • Authors: Venelin Enchev, Vasil Monev, Nadezhda Markova, Milen Rogozherov, Snezhina Angelova, Maria Spassova
  • Year: 2013
  1. Excited state proton transfer in 3,6-bis(4,5-dihydroxyoxazo-2-yl)benzene-1, 2-diol
  • Authors: Venelin Enchev, Nadezhda Markova, Milena Stoyanova, Plamen Petrov, Milen Rogozherov, Natalia Kuchukova, Ivanka Timtcheva, Vasil Monev, Snezhina Angelova, Maria Spassova
  • Year: 2013
  1. Tautomeric equilibria of 5-fluorouracil anionic species in water
  • Authors: Nadezhda Markova, Venelin Enchev, Gergana Ivanova
  • Year: 2010
  1. Physicochemical characterization and in vitro behavior of daunorubicin-loaded poly(butylcyanoacrylate) nanoparticles
  • Authors: Maria Simeonova, Gergana Ivanova, Venelin Enchev, Nadezhda Markova, Milen Kamburov, Chavdar Petkov, Aidan Devery, Rod O’Connor, Declan Brougham
  • Year: 2009
  1. Ab initio and DFT study of the structure of metal ion complexes with N-benzalaniline-15-crown-5
  • Authors: Venelin Enchev, Snezhina Angelova, Nadezhda Markova, Ireneusz Wawer, Evgenia Stanoeva, Mariana Mitewa
  • Year: 2008
  1. Ab initio study of 2,4-substituted azolidines. II. Amino-imino tautomerism of 2-aminothiazolidine-4-one and 4-aminothiazolidine-2-one in water solution
  • Authors: Venelin Enchev, Nadezhda Markova, Snezhina Angelova
  • Year: 2005