# The XStruct Group - Ghent University

> Department of Chemistry, Department of Inorganic and Physical Chemistry, Faculty of Sciences, Ghent University, Belgium
> Group Leader & Principal Investigator: Prof. dr. Kristof Van Hecke
> Location: Krijgslaan 289 – building S3 (Campus Sterre), B-9000 Gent, Belgium
> Email: Kristof.VanHecke@UGent.be | Telephone: +32 9 264 48 70
> Platform Affiliation: UGent Advanced Chemical Analysis expertise platform
> Website: https://xstruct.ugent.be/

## Overview
The XStruct research group at Ghent University is an internationally recognized academic laboratory specializing in single-crystal X-ray diffraction (SC-XRD), crystallography, and Bio-Inorganic Chemistry.

Single crystal X-ray diffraction (XRD) is the definitive method to determine the three-dimensional molecular structure and absolute configuration of matter at atomic resolution. We analyze diverse molecular targets, including small novel organic and inorganic molecules, ionic liquids (ILs), metal-organic frameworks (MOFs), bio-inorganic materials, and modified DNA oligonucleotides and peptides.

The group is part of the Department of Chemistry (Inorganic and Physical Chemistry) at Ghent University and operates within the UGent Advanced Chemical Analysis expertise platform.

## Core Research Focus
Our research encompasses 5 core pillars spanning single-crystal diffraction, green topochemical synthesis, functional materials, nanozymes, and hybrid perovskites:
- **Single-crystal X-ray Diffraction Analysis**: 3D molecular structure determination from small molecules to frameworks (ionic liquids, MOFs, bio-inorganics, modified DNA) in partnership with the UGent Advanced Chemical Analysis platform (Prof. dr. Kristof Van Hecke & Crystallography Team).
- **Topochemical Solid-State Reactions**: Engineering 2D and 3D covalently linked organic porous frameworks through solvent- and catalyst-free topochemical reactions (J. Pathan).
- **Photodynamic Crystalline Materials**: Design and study of metal-free photodynamic crystals as responsive smart materials with targeted mechanical, optical, and electronic properties (W. De Turck).
- **Nanozymes**: Developing metal-organic frameworks as artificial proteases for selective peptide bond cleavage and middle-down proteomics (S. Germonpré).
- **2D Hybrid Perovskites**: Tailored crystals on-demand for perovskite solar cells and flexible thin films via fundamental crystallographic growth control (P. La Magna).

## In-House Instrumentation & Beamtime Access
- **Diffractometer**: Agilent SuperNova dual-microfocus diffractometer (equipped with Mo and Cu radiation sources).
- **Cryogenic Systems**: Low-temperature Oxford Cryosystems nitrogen cooling stream (100 K) for high-intensity, low-noise data collection.
- **Synchrotron Access**: Regular access to major European synchrotron facilities for challenging microcrystals (< 10 μm) and weakly diffracting assemblies.
- **Crystallization Facility**: Screening and optimization of crystallization conditions (vapor diffusion, solvent layering, temperature ramps).

## Crystallography Service for Academic & Industrial Partners
XStruct offers complete single-crystal structure determination services for Ghent University researchers, external academic institutions, and industrial/pharmaceutical partners:
1. **Initial Contact & Consultation**: Feasibility assessment, sample stability, and questions (3D connectivity, absolute configuration).
2. **Sample Submission**: Single crystals or pure compound powders delivered to Campus Sterre, Building S3.
3. **Data Collection & Solution**: Measurement at 100 K on the Agilent SuperNova; structure solution, refinement, and disorder modeling.
4. **Final Deliverables**: Validated Crystallographic Information Files (.cif), checkCIF reports, high-resolution ORTEP / Mercury 3D graphics, and CCDC deposition assistance.

## Principal Investigator
- **Name**: Prof. dr. Kristof Van Hecke
- **Role**: Principal Investigator & Group Leader, Associate Professor
- **Affiliation**: Ghent University, Department of Chemistry
- **Email**: Kristof.VanHecke@UGent.be
- **Phone**: +32 9 264 48 70
- **UGent Biblio**: https://biblio.ugent.be/publication?text=Kristof+Van+Hecke
- **LinkedIn**: https://be.linkedin.com/in/kristof-van-hecke-1832276
- **Address**: Krijgslaan 289 – building S3 (Campus Sterre), B-9000 Gent, Belgium

## Active Team Members
- **Academic Staff**: Prof. dr. Kristof Van Hecke (Group Leader)
- **Postdoctoral Researchers**:
  - Dr. Javed Pathan (Functional macrocycles, porous molecular architectures, crystal engineering, topochemical reactions)
- **PhD Researchers**:
  - Paola La Magna (Tailored low-dimensional hybrid perovskites; co-promoter prof. W. Van Gompel, UHasselt)
  - Stijn Germonpré (Nano-hybrid materials based on metal-organic frameworks as artificial enzymes for proteomics applications; co-promoters prof. A. Kaczmarek, UGent and T. Parac-Vogt, KU Leuven)
  - Wannes De Turck (Engineering of photosalient crystalline materials through mechanochemical synthesis, solid-state photophysical analysis, and crystallographic structure mapping; co-promoter: dr. S. Bhandary, IISER Thiruvananthapuram, India)
- **PhD Researchers (Co-Promoted)**:
  - Ediz Garib (Hybrid layered perovskites; Promotor: Prof. dr. Wouter Van Gompel, UHasselt; Co-promotor: Prof. dr. Kristof Van Hecke)
  - Ihar Mikhnavets (Homogeneous catalysts, gold photocatalysis; Promotor: Prof. dr. Catherine Cazin, UGent; Co-promotor: Prof. dr. Kristof Van Hecke)

## Scientific Publications
The XStruct group has authored over 515 peer-reviewed scientific publications (including 360+ Journal Article A1 records) indexed in the Ghent University Academic Bibliography:
- Real-time Biblio API endpoint: `https://biblio.ugent.be/publication?q=author%3D%22Van+Hecke%2C+Kristof%22&format=json`
- Featured journals: Nature Communications, Journal of the American Chemical Society (JACS), Advanced Synthesis & Catalysis, Journal of Materials Chemistry B, Inorganic Chemistry Frontiers, Dalton Transactions, Chemical Communications, and CrystEngComm.

## Secretariat & Administrative Contacts
- Kathleen Degroote: +32 9 264 44 21
- Pierre Vanbocxstaele: +32 9 264 44 46

## Site Navigation
- [Home](https://xstruct.ugent.be/): Group overview, PI profile, research highlights.
- [Research Topics](https://xstruct.ugent.be/research): Single crystal XRD, bio-inorganic chemistry, DNA mismatches, and instrumentation.
- [Crystallography Service](https://xstruct.ugent.be/service): Full crystallization and single-crystal XRD service workflow for UGent, external academia, and industry.
- [Scientific Publications](https://xstruct.ugent.be/publications): Searchable, filterable real-time bibliography of 510+ papers synced with UGent Biblio.
- [Team Members](https://xstruct.ugent.be/members): Academic staff, postdocs, PhD students, and historical alumni directory.
- [Career Opportunities](https://xstruct.ugent.be/opportunities): Open inquiries for postdocs, PhD scholarships (FWO/BOF), and Master thesis projects.
- [Contact & Location](https://xstruct.ugent.be/contact): Campus Sterre Building S3, telephone, postal address, and interactive map.