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USD 60 /hr

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Hire Dr. Lukas U.

Estonia

USD 60 /hr

Senior Researcher in Supramolecular Chemistry | Data Analysis and Automation (Python) | 15 yrs experience

Profile Summary

Expert in Supramolecular Chemistry with a PhD in Organic Chemistry and extensive experience spanning both academia and industry. I specialize in chirality, mechanisms of intermolecular interactions, and the development of automated data solutions for chemical research. Core Expertise & Research Specializations: Physical Organic Chemistry, Analytical Chemistry, and Chirogenesis in Supramolecular Systems. Molecular Systems: Extensive work with macrocycles (Cucurbiturils, hemi-cucurbiturils, biotinurils, and bambusurils) and metalloporphyrins. Scientific Impact: Authored 12 peer-reviewed scientific articles and a definitive book chapter on chirogenesis. Analytical & Laboratory Proficiencies Spectroscopy: Nuclear Magnetic Resonance(NMR), UV-Vis, and Circular Dichroism (CD). Thermodynamics & Kinetics: Isothermal Titration Calorimetry (ITC). Specialized Techniques: Quartz Microbalances (QMB) and Mechanochemistry. Data Science & Python Integration I bridge the gap between complex chemistry and digital efficiency by implementing Python-based solutions for research and industrial workflows: Automation: Streamlining data processing pipelines to increase throughput. Tool Development: Building interactive internal tools and dashboards using the Streamlit library. Mathematical Modeling: Performing nonlinear regressions for binding studies and molecular interactions.

Subject Matter Expertise

• ★ Circular Dichroism Spectroscopy
• ★ Supramolecular Chemistry
• ★ Data Analysis
• ☆ Analytical Chemistry
• ☆ Spectroscopy
• ☆ UV Spectroscopy
• ☆ NMR Spectroscopy
• ☆ Mechanochemistry
• ☆ Physical Organic Chemistry
• ☆ Data Processing
• ☆ Data Exploration
• ☆ Data Visualization
• ☆ Data Manipulation
• ☆ Data Cleaning
• ☆ Statistics
• ☆ Nonlinear Regression
• ☆ Python

Services

• Writing
• Research
• Consulting
• Data & AI

Writing General Proofreading & Editing

Research Fact Checking, Scientific and Technical Research

Consulting Operations Consulting, Scientific and Technical Consulting

Data & AI Statistical Analysis, Data Visualization, Data Cleaning, Data Processing, Data Insights

Work Experience

Research Specialist in Supramolecular Chemistry

Tallinn University of Technology

February 2025 - Present

Data Specialist

Stargate Hydrogen Solutions

June 2024 - Present

Researcher

Tallinna Tehnikaülikool

January 2018 - Present

Post Doctoral Fellow, Senior Researcher

Tallinn University of Technology

January 2018 - December 2023

Education

PhD (Chemistry)

Masaryk University Brno

September 2012 - December 2017

PhD (Department of chemistry)

Masarykova Univerzita Přírodovědecká Fakulta

2012 - December 2017

Certifications

• Certification details not provided.

Publications

JOURNAL ARTICLE

Marko Šakarašvili, Khai-Nghi Truong, Lukáš Ustrnul, Nele Konrad, Kristjan Siilak, Tatsiana Burankova, Reiko Kuroda, Mathias O. Senge, Victor Borovkov, Jas S. Ward, et al. (2025). Chiral Self-Assembly of Zinc and Magnesium Porphyrins with Enantiopure Cyclohexanohemicucurbiturils in Solution and in Solid State . Inorganic Chemistry.

Lukas Ustrnul, Gabriele Magna, Marko Šakarašvili, Manuela Stefanelli, Gabriele Giancane, Simona Bettini, Ludovico Valli, Victor Borovkov, Riina Aav, Donato Monti, et al. (2023). Chiral Recognition by Supramolecular Porphyrin–Hemicucurbit[8]uril-Functionalized Gravimetric Sensors . ACS Applied Materials & Interfaces.

Self-Assembly of Chiral Cyclohexanohemicucurbit[n]urils with Bis(Zn Porphyrin): Size, Shape, and Time-Dependent Binding @article{_akara_vili_2022, doi = {10.3390/molecules27030937}, url = {https://doi.org/10.3390%2Fmolecules27030937}, year = 2022, month = {jan}, publisher = {{MDPI} {AG}}, volume = {27}, number = {3}, pages = {937}, author = {Marko {\v{S}}akara{\v{s}}vili and Lukas Ustrnul and Elina Suut and Jagadeesh Varma Nallaparaju and Kamini A. Mishra and Nele Konrad and Jasper Adamson and Victor Borovkov and Riina Aav}, title = {Self-Assembly of Chiral Cyclohexanohemicucurbit[n]urils with Bis(Zn Porphyrin): Size, Shape, and Time-Dependent Binding}, journal = {Molecules} } . Molecules.

Lukas Ustrnul, Marko Šakarašvili, Elina Suut, Jagadeesh Varma Nallaparaju, Kamini A. Mishra, Nele Konrad, Jasper Adamson, Victor Borovkov, Riina Aav (2022). Self-Assembly of Chiral Cyclohexanohemicucurbit[<i>n</i>]urils with Bis(Zn Porphyrin): Size, Shape, and Time-Dependent Binding . Molecules.

Lukas Ustrnul and Tatsiana Burankova and Mario Öeren and Kristina Juhhimenko and Jenni Ilmarinen and Kristjan Siilak and Kamini A. Mishra and Riina Aav(2021). Binding Between Cyclohexanohemicucurbit[n]urils and Polar Organic Guests . Frontiers in Chemistry. 9. Frontiers Media {SA}

(2019). Heterocomponent ternary supramolecular complexes of porphyrins: a review . Journal of Porphyrins and Phthalocyanines.

Ustrnul, L., Kaabel, S., Burankova, T., Mart&#245;nova, J., Adamson, J., Konrad, N., Burk, P., Borovkov, V., Aav, R.(2019). Supramolecular chirogenesis in zinc porphyrins by enantiopure hemicucurbit[n] urils (n = 6, 8) . Chemical Communications. 55. (96). p. 14434-14437.

Lukas Ustrnul, Sandra Kaabel, Tatsiana Burankova, Jevgenija Mart&#245;nova, Jasper Adamson, Nele Konrad, Peeter Burk, Victor Borovkov, Riina Aav(2019). Supramolecular chirogenesis in zinc porphyrins by enantiopure hemicucurbit[n]urils (n = 6, 8) . Chemical Communications. Royal Society of Chemistry ({RSC})

Prigorchenko, E., Ustrnul, L., Borovkov, V., Aav, R.(2019). Heterocomponent ternary supramolecular complexes of porphyrins: A review . Journal of Porphyrins and Phthalocyanines. 23. (11-12). p. 1308-1325.

(2016). Propanediurea-Based Molecular Clips Bind Halide Anions: An Insight into the Mechanism of Cucurbituril Formation . The Journal of Organic Chemistry.

(2016). A Cucurbituril Derivative That Exhibits Cation-Modulated Self-Assembly . The Journal of Organic Chemistry.

Ustrnul, L., Babiak, M., Kulhanek, P., Sindelar, V.(2016). A Cucurbituril Derivative That Exhibits Cation-Modulated Self-Assembly . Journal of Organic Chemistry. 81. (14). p. 6075-6080.

Lizal, T., Ustrnul, L., Necas, M., Sindelar, V.(2016). Propanediurea-Based Molecular Clips Bind Halide Anions: An Insight into the Mechanism of Cucurbituril Formation . Journal of Organic Chemistry. 81. (19). p. 8906-8910.

(2015). Pressocucurbit[5]uril . Organic Letters.

Ustrnul, L., Kulhanek, P., Lizal, T., Sindelar, V.(2015). Pressocucurbit[5]uril . Organic Letters. 17. (4). p. 1022-1025.

(2014). Synthesis and supramolecular properties of glycoluril tetramer . Supramolecular Chemistry.

Stancl, M., Gilberg, L., Ustrnul, L., Necas, M., Sindelar, V.(2014). Synthesis and supramolecular properties of glycoluril tetramer . Supramolecular Chemistry. 26. (3-4). p. 168-172.

PREPRINT

Elina Suut-Tuule, Tatsiana Jarg, Priit Tikker, Ketren-Marlein Lootus, Jevgenija Mart&#245;nova, Rauno Reitalu, Lukaš Ustrnul, James Ward, Vitalijs Rjabovs, Kirill Shubin, et al. (2024). Mechanochemically-Driven Self-Assembly of a Chiral Mono-Biotinylated Hemicucurbit[8]uril .

Lukas Ustrnul, Tatsiana Jarg, Martin Jantson, Irina Osadchuk, Lauri Anton, Riina Aav (2024). MatchMass: A Web-Based Tool for Efficient Mass Spectrometry Data Analysis .

BOOK CHAPTER

Lukas Ustrnul, Victor Borovkov, Riina Aav(2023). Chirogenesis in Supramolecular Systems . Chirogenesis in Chemical Science. p. 69--123. {WORLD} {SCIENTIFIC}

OTHER

Lukas Ustrnul, Tatsiana Shalima, Kamini A. Mishra, Sandra Kaabel, Simona Bartkova, Kaia T&#245;nsuaadu, Ivo Heinmaa, Riina Aav(2021). Cyclohexanohemicucurbit[8]uril forms inclusion complexes with heterocycles and removes sulfuric guests from water via solid-phase extraction . American Chemical Society ({ACS})

Lukas Ustrnul, Tatsiana Shalima, Kamini A. Mishra, Sandra Kaabel, Simona Bartkova, Kaia T&#245;nsuaadu, Ivo Heinmaa, Riina Aav(2021). Cyclohexanohemicucurbit[8]uril forms inclusion complexes with heterocycles and removes sulfuric guests from water via solid-phase extraction . American Chemical Society ({ACS})

Lukas Ustrnul, Tatsiana Shalima, Kamini A. Mishra, Sandra Kaabel, Simona Bartkova, Kaia T&#245;nsuaadu, Ivo Heinmaa, Riina Aav (2021). Binding of Heterocycles by Cyclohexanohemicucurbiturils and Solid-Phase Extraction of Sulfur-Containing Heterocycles from Water .