Doctoral Researchers

Anna Luisa Upterworth

Supervisor: Prof. Daniel Sebastiani
Co-Supervisor: Prof. Rebecca Waldecker
Contact: anna-luisa.upterworth@chemie.uni-halle.de

In mixtures, diverse structural phenomena occur due to different philicities of the components. The concept of philicity can be understood as the result of competing intermolecular interactions of different nature, but a quantitative formulation of philicity in terms of interaction energies remains difficult. Our goal is to develope such a description in order to get a better understanding of how the interplay of interactions is related to structural phenomena in complex multi-component systems. For this purpose, we will use various methods of quantum-chemistry as well as classical and quantum-mechanical molecular dynamics (MD) simulations.

Elise Johanna Hingst

Supervisor: Prof. Dariush Hinderberger
Co-Supervisor: Prof. Rebecca Waldecker
Contact: elise-johanna.hingst@chemie.uni-halle.de

Being part of professor Hinderberger’s team during my diploma thesis I already had the chance to gather practical experience in the field of amphiphilicity. My research focused on structure and organization of monoclonal antibodies at the air/water interface in presence of pharmaceutical polymers. The experiments were conducted by Langmuir Film Balance measurements, Drop Shape Tensiometry and Infrared Reflection-Absorption-Spectroscopy (IRRAS). I was impressed by the practical relevance, the topicality of the subject and the chance to cooperate with the commercial enterprise Boehringer Ingelheim. I’m very glad about the opportunity to continue my diploma project and to start doing research on the myelin basic protein (MBP) and lipid model systems within the framework of a doctoral thesis. Studies on MBP at the air/water interface open up new possibilities for me to apply and expand acquired knowledge of proteins interacting with interfaces. For example, with Infrared Reflection-Absorption measurements, I will be able to contribute to discovering structural properties of soft matter. My motivation is to pave the way for biophysical research in the field of membrane proteins using model membrane systems.

Subham Ojha

Supervisor: Prof. Frederik Haase
Co-Supervisor: Prof. Dr. Daniel Sebastiani
Contact: subham.ojha@chemie.uni-halle.de

During my masters I was really interested in Metal Organic Frameworks and always wanted to do further research on MOFs and other similar porous materials. I was intrigued by these materials due to their various applications, including gas separation/storage, water purification, catalysis, electrode materials, chemical sensing, drug delivery, and so on. For my doctorate research, I will be focusing on the new and some known reticular framework materials based on frustrated pseudo-C5- symmetrical building blocks and their applications in a variety of field such as gas and water adsorption, Proton conductivity, etc. The frustration in these frameworks arises from the conflict of the framework lattice and the fascinating thing about the geometric frustration possessed by these building blocks is that it can be used as a strategy to obtain highly complex porous materials.

Annika Blum

Supervisor: Prof. Dariush Hinderberger
Co-Supervisor: Prof. Kirsten Bacia & PD Dr. Maria Hoernke
Contact: annika.blum@chemie.uni-halle.de

To prevent therapeutic agents, like vaccines, from becoming trapped in the endosome and undergoing lysosomal degradation, various compounds have been examined. This is achieved by facilitating endosomal escape, i.e. overcoming the endosomal membrane. The lowering of the endosomal pH and the occurrence of the negatively charged lipid BMP during endolysosomal development can be used to selectively permeabilize endosomal membranes.

In my work, I investigate different lengths of the membrane-active polymers P(NAiPP)_n and P(NAMP)_n regarding their pH-sensitive ability to permeabilize membranes of various lipid compositions. These polymers are quite hydrophilic, positively charged at high pH values, and have different transfection efficiencies. I characterize membrane perturbations caused by the polymers by using fluorescence and monolayer methods as well as microcalorimetry methods. Perturbations like membrane leakage, electrostatic lipid clustering, and membrane fusion can play important roles for membrane permeabilization and thus endosomal escape. These interactions are examined using

• different membrane models (large/giant unilamellar vesicles, multilamellar vesicles, lipid monolayer)
• different membrane lipid compositions (PC lipids, PC/PG lipid mix, PC/BMP lipid mix)
• different pH values (7.4, 6.5, 5.0)

A pH of 7.4 and net-uncharged membranes are a simple model of the cytoplasmic membrane. Lower pH values (6.5, 5.0) and the addition of negatively charged membranes (with PG- and BMP-lipids) represent different maturation stages of the endosome.

My overall goal is to understand the underlying membrane biophysics of the endosomal escape of these polymers to enable a directed design or selection of suitable new polymers for endosomal escape applications.

Jana Krüger

Supervisor: Prof. Dariush Hinderberger
Contact: jana.krueger@few.de

The goal for my PhD ist to develop migration-stable reagents For the purpose of photopolymerization. These reagents should be incorporated into the polymer in different ways to prevent diffusion from the end product. For this purpose, monomers based on acrylates and methacrylates are being developed, as they exhibit excellent properties for photopolymerization. Various iodonium salts are used as photoinitiators to initiate the process, and Coulomb interactions arising from their charge could be utilized to reduce diffusion. Depending on the intended application of the products, photosensitizers in the form of novel dyes and absorbers are also used to support initiation and must be bound within the polymer.

Jonas Lührs

Supervisor: Prof. Daniel Sebastiani
Co-Supervisor: Prof. Martin Weissenborn
Contact: jonas.luehrs@chemie.uni-halle.de

Philicity in biological systems plays an important role in explaining the functions as well as the structures of such systems. Further philicity describes the different intermolecular interaction energies competing with each other. In my PhD study I am interested in describing these different intermolecular interactions occurring in solvents by using quantum-mechanical and classical methods . These methods include molecular dynamics (MD) simulations as well as geometry optimizations to explore and determine the structural behaviour of different molecules/compounds in solvents.

Hajar Amal

Supervisor: Prof. Dariush Hinderberger
Co-Supervisor: Dr. Haleh Haeri
Contact: hajar.amal@chemie.uni-halle.de

My PhD project focuses on understanding how metal ions and other amphiphilic molecules influence the self-assembly, structure, and dynamics of short peptides. I study peptide–metal systems ranging from ultra-short peptides to metal-chelating peptides and neuropeptides, with the aim of clarifying how local, metal interactions, and peptide sequence determine structural behavior. My main method is EPR spectroscopy, which I combine with spin probes, spin-labeled peptides, optical spectroscopy, morphology, rheology, and computational approaches. My goal is to contribute to a molecular-level understanding of peptide self-assembly and peptide–metal interactions, and to help establish design principles for complex soft-matter systems.

Anuradha B. Ghorpade

Supervisor: Jun. Prof. Frederik Haase
Co-Supervisor: tbd
Contact: anuradha-bajirao.ghorpade@chemie.uni-halle.de

I joined this project because of my strong interest in understanding how molecular-level interactions govern the formation of complex functional materials. The concept of self-organization in covalent organic frameworks through multiple noncovalent interactions particularly fascinated me, as it highlights how weak forces can collectively direct precise structural assembly. I am especially interested in understanding how these interactions can be strategically tuned to control structural organization, responsiveness, and functionality at a deeper level. I see this project as an opportunity to explore concepts beyond amphiphilicity, particularly how multiple noncovalent interactions can be harnessed to guide the rational design of smart, adaptive amphiphilic materials with broad applications in areas such as selective transport, catalysis, energy storage, chemical sensing, and drug delivery. Additionally, working on this project will enable me to deepen my understanding of covalent organic frameworks (COFs) while developing a more design-oriented approach to functional material synthesis.

Tara Mazaheri

Supervisor: Dr. Wolfgang Binder
Co-Supervisor: tbd
Contact: tara.mazaheri@chemie.uni-halle.de

tbd

Tom Erik Steinkopf

Supervisor: Dr. Daniel Sebatiani
Co-Supervisor: tbd
Contact: tom-erik.steinkopf@chemie.uni-halle.de

tbd

Daylin Fernandez-Pacheco

Supervisor: Prof. Dariush Hinderberger
Co-Supervisor: Prof. Daniel Sebastiani
Contact: daylin.fernandez-pacheco@chemie.uni-halle.de

My doctoral research focuses on studying the self-assembly process of small and medium-sized charged molecules in mixtures of binary and ternary solvents. My primary interest lies initially in synthesizing the molecules I will be using in this study, followed by the analysis of how these molecules interact and assemble in solution. To conduct this analysis, I will employ a variety of techniques, including X-ray diffraction, as well as light scattering methods such as Dynamic Light Scattering (DLS) and Electrophoretic Light Scattering (ELS), along with Electron Paramagnetic Resonance spectroscopy (EPR) . As an organic chemist by training, I consider immersing myself in the realm of physical chemistry to be an exciting challenge. However, I am eager to learn and apply new methods, and I hope to contribute novel insights to the field of self-assembled materials chemistry and physics.

Simona Bassoli

Supervisor: Prof. Frederik Haase
Co-Supervisor: Prof. Dariush Hinderberger
Contact: simona.bassoli@chemie.uni-halle.de

Given the structural versatility of COFs and their ability to tune and customize pore size and shape, these materials provide an opportunity to design materials with specific properties and tailored pores for targeted applications. Additionally, most COFs exhibit a single type of linear pore, which is usually uniform in size and chemical environment.
Therefore, the focus of my research is to explore the use amphiphilicity and beyond to create pores, within a single material, with distinct chemical environments.

Sebastian Michler

Supervisor: Prof. Dariush Hinderberger
Contact: sebastian.michler@chemie.uni-halle.de

All living vertebrates need to synthesize, incorporate and metabolize hydrophobic molecules inside their tissues. For a smooth transport between cell organelles, membranes and blood, evolution created a system of amphiphilic transport proteins which can non-covalently bind these molecules. In my PhD-project I am going to analyze the binding characteristics and dynamic structures of human transport proteins from blood plasma (serum albumin) and myelin (FABP8). Combining modern EPR-spectroscopy, binding studies and comparative genetic analyses, their functionalities and evolutionary purpose will be further illuminated. Additionally, the role of proteins in human myelin will be analyzed by interaction studies with myelin-mimicking model membranes of rising complexity. Beyond the achievement of basic understanding, this approach could provide new cues for advanced diagnostics and therapeutic treatment of neuropathies such as multiple sclerosis.

Li Wan

Supervisor: Prof. Martin Weissenborn
Co-Supervisor: Prof. Carsten Tschierske
Contact: li.wan@chemie.uni-halle.de

My doctorate study is to explore the catalytic potential of fungal unspecific peroxygenases (UPOs) through directed evolution and apply it to the oxyfunctionalization of terpenes and terpenoids. A novel method will be developed to screen the reactivity of UPOs mutants toward multiple substrates. Then, the reaction specificity, regioselectivity, and enantioselectivity of the positive mutants can be further determined and altered. My goal is to develop and refine this method to adapt to different UPOs and substrates.

Clara Vogt

Supervisor: Prof. Martin Weissenborn
Co-Supervisor: Prof. Robert Langer
Contact: clara.vogt@chemie.uni-halle.de

A protein’s function emerges through the complex interplay of all its constituent amino acids. This renders the effect of an amino acid context-dependent, a phenomenon known as epistasis. The mechanisms underlying epistasis are multifaceted and lack comprehensive understanding, resulting in unpredictability that challenges enzyme engineering. My PhD aims to investigate how mutations accumulate during an enzyme engineering campaign, and address questions such as how the substrate-enzyme interplay evolves, or how the active site is remodeled for reaction optimization. I am working with MthUPO as my model system, an unspecific peroxygenase from Myceliophthora thermophila. UPOs are a highly sought-after fungal enzyme family because they catalyze a wide range of oxyfunctionalization reactions. I am applying an enzyme engineering workflow combining high-throughput wet-lab methods with computational approaches to MthUPO, to investigate the mechanisms underlying its evolution during the engineering campaign.

Leo Dewitz

Supervisor: Prof. Robert Langer
Co-Supervisor: Prof. Dariush Hinderberger
Contact: leo.dewitz@chemie.uni-halle.de

Micellar reaction systems in water provide a sustainable alternative to organic solvents while enabling highly efficient and selective catalytic processes. The amphiphilic nature of surfactants drives the formation of micelles, which act as nanoscale reaction compartments that spatially organize reactants and catalysts. Beyond amphiphilicity, parameters such as pH and salt concentration critically influence the behavior and localization of active catalytic species. My PhD-project focuses on rhodium-catalyzed hydroaminomethylation (HAM), where these factors can induce a switch in the operative reaction mechanism and thereby control selectivity. The aim of this project is to elucidate how noncovalent interactions control catalyst speciation, reactivity, and spatial organization within micelles. By combining spectroscopic and physicochemical methods with quantum chemical calculations, I will correlate micellar properties with catalytic performance and derive principles for the rational design of more efficient and sustainable micellar catalytic systems.

Shanza

Supervisor: Prof. Kay Saalwächter
Co-Supervisor: tbd
Contact: shanza.shanza@physik.uni-halle.de

My research focuses on understanding the crystallization and assembly of Covalent Organic Frameworks (COFs), highly ordered porous materials with applications in catalysis, gas storage, and molecular separation. I investigate how solvent-linker and supramolecular interactions influence their formation, particularly using amphiphilic building blocks as a tunable platform.
By systematically modifying side-chain properties, I aim to uncover the fundamental mechanisms that govern COF crystallization and structural organization. What drives my work is a strong curiosity to understand how complex, ordered materials emerge from simple molecular interactions.

Vaishnavi Singh

Supervisor: Dr. Kirsten Bacia
Co-Supervisor: tbd
Contact: vaishnavi.singh@chemie.uni-halle.de

tbd