Maciej Spiegel
@maciejspiegel.bsky.social
MPharm PhD | Asst. Prof. at Wroclaw Medical University | Stanford's "World's Top 2% Scientists" | NCN Preludium Grant Recipient | Polish Academy of Sciences Awardee
Excited to be at PSE Meeting 2025 in Funchal, Madeira! Sharing results from my Preludium project, funded by Polish National Science Center, with brilliant scientists 🌿🔬 #PSEMeeting2025 #Phytochemicals #NCN #PolishScience
October 22, 2025 at 4:42 PM
Excited to be at PSE Meeting 2025 in Funchal, Madeira! Sharing results from my Preludium project, funded by Polish National Science Center, with brilliant scientists 🌿🔬 #PSEMeeting2025 #Phytochemicals #NCN #PolishScience
🔬 New paper!
Mapped how vitexin & isovitexin fight free radicals. The mechanism completely flips depending on environment - lipids vs water use different pathways.
Isovitexin edges ahead slightly but both are interesting.
Open access: doi.org/10.1021/acs....
#Chemistry #Antioxidants #OpenAccess
Mapped how vitexin & isovitexin fight free radicals. The mechanism completely flips depending on environment - lipids vs water use different pathways.
Isovitexin edges ahead slightly but both are interesting.
Open access: doi.org/10.1021/acs....
#Chemistry #Antioxidants #OpenAccess
Antioxidant Power of Vitexin and Isovitexin Against OOH Radicals: A Comparative Theoretical Investigation
The antioxidant activity of vitexin and isovitexin─flavonoids widely found in various plants and used in traditional medicine─has been theoretically evaluated against the OOH radical. Multiple reactio...
doi.org
October 11, 2025 at 7:59 AM
🔬 New paper!
Mapped how vitexin & isovitexin fight free radicals. The mechanism completely flips depending on environment - lipids vs water use different pathways.
Isovitexin edges ahead slightly but both are interesting.
Open access: doi.org/10.1021/acs....
#Chemistry #Antioxidants #OpenAccess
Mapped how vitexin & isovitexin fight free radicals. The mechanism completely flips depending on environment - lipids vs water use different pathways.
Isovitexin edges ahead slightly but both are interesting.
Open access: doi.org/10.1021/acs....
#Chemistry #Antioxidants #OpenAccess
Top 2% Scientists Worldwide (2025)! 🎉 Rocketed from 188,367 to 145,380! 🤯 Mixing pharma & computational chem to crack therapeutics. Shouts to mentors & PhD buds. 2026 ranking? Bet on it! 😎 #ScienceVibes #top2scientists
September 21, 2025 at 8:18 AM
Top 2% Scientists Worldwide (2025)! 🎉 Rocketed from 188,367 to 145,380! 🤯 Mixing pharma & computational chem to crack therapeutics. Shouts to mentors & PhD buds. 2026 ranking? Bet on it! 😎 #ScienceVibes #top2scientists
Another study! Now on computational design of anthraquinone-based, heavy-atom-free photosensitizers for two-photon #PDT in hypoxic tumors.
4 leads → Type I / II / III / broad-spectrum 🌟
🔗 doi.org/10.26434/che...
#Chemistry #Photonics #CancerResearch #DrugDesign
4 leads → Type I / II / III / broad-spectrum 🌟
🔗 doi.org/10.26434/che...
#Chemistry #Photonics #CancerResearch #DrugDesign
In Silico Design of Anthraquinone-Based Two-Photon Photosensitizers for NIR-Activated Photodynamic Therapy in Hypoxic Tumors
A computational strategy is presented for the rational design of anthraquinone- based, heavy-atom–free photosensitizers optimized for two-photon photodynamic therapy in hypoxic tumors within NIR regio...
doi.org
September 11, 2025 at 1:01 PM
Another study! Now on computational design of anthraquinone-based, heavy-atom-free photosensitizers for two-photon #PDT in hypoxic tumors.
4 leads → Type I / II / III / broad-spectrum 🌟
🔗 doi.org/10.26434/che...
#Chemistry #Photonics #CancerResearch #DrugDesign
4 leads → Type I / II / III / broad-spectrum 🌟
🔗 doi.org/10.26434/che...
#Chemistry #Photonics #CancerResearch #DrugDesign
🔬 New insights into rubiadin phototoxicity for #PhotodynamicTherapy! Efficient Dexter energy transfer, acid–base speciation effects, & ODE models highlight its potential in #CancerResearch. 📄 Pre-print: doi.org/10.26434/che... #ComputationalChemistry #PDT
Mechanistic and Kinetic Insights into Rubiadin Phototoxicity: Linking Theory to Photodynamic Efficiency
Phototoxic outcomes in photodynamic therapy depend sensitively on photosensitizer speciation, triplet formation pathways, and oxygen availability. Here, first-principles excited-state dynamics was com...
doi.org
September 10, 2025 at 8:43 AM
🔬 New insights into rubiadin phototoxicity for #PhotodynamicTherapy! Efficient Dexter energy transfer, acid–base speciation effects, & ODE models highlight its potential in #CancerResearch. 📄 Pre-print: doi.org/10.26434/che... #ComputationalChemistry #PDT
New preprint on ChemRxiv! 🚀
It shows how aggregation suppresses internal conversion and enables triplet formation in hypericin assemblies.
🔗 doi.org/10.26434/che...
#Chemistry #Photophysics #Photochemistry #OpenScience
It shows how aggregation suppresses internal conversion and enables triplet formation in hypericin assemblies.
🔗 doi.org/10.26434/che...
#Chemistry #Photophysics #Photochemistry #OpenScience
Aggregation Suppresses Internal Conversion and Enhances Triplet Yield in π-Rich Dyes by Vibronic Coupling Control: A Case Study of Hypericin Supramolecular Assembly
Hypericin, a naturally occurring anthraquinone dye, displays unusually high triplet quantum yields despite its weak spin–orbit coupling and strong propensity to aggregate in solution—an apparent contr...
doi.org
September 9, 2025 at 8:37 AM
New preprint on ChemRxiv! 🚀
It shows how aggregation suppresses internal conversion and enables triplet formation in hypericin assemblies.
🔗 doi.org/10.26434/che...
#Chemistry #Photophysics #Photochemistry #OpenScience
It shows how aggregation suppresses internal conversion and enables triplet formation in hypericin assemblies.
🔗 doi.org/10.26434/che...
#Chemistry #Photophysics #Photochemistry #OpenScience
🎉Good news!
I’ve been awarded a 2024 Molecular Physics Early Career Researcher Prize for research done during my visit to Weizmann Institute of Science, supervised by Prof. Jan M. L. Martin:
doi.org/10.1080/0026...
I’m shocked — more info soon!🤯
#quantumchemistry #science #award #compchem
I’ve been awarded a 2024 Molecular Physics Early Career Researcher Prize for research done during my visit to Weizmann Institute of Science, supervised by Prof. Jan M. L. Martin:
doi.org/10.1080/0026...
I’m shocked — more info soon!🤯
#quantumchemistry #science #award #compchem
Post-CCSD(T) corrections to bond distances and vibrational frequencies: the power of Λ
The importance of post-CCSD(T) corrections as high as CCSDTQ56 for ground-state spectroscopic constants ( De, ωe, ωexe, and αe) has been surveyed for a sample of two dozen mostly heavy-atom diat...
doi.org
July 18, 2025 at 12:12 PM
🎉Good news!
I’ve been awarded a 2024 Molecular Physics Early Career Researcher Prize for research done during my visit to Weizmann Institute of Science, supervised by Prof. Jan M. L. Martin:
doi.org/10.1080/0026...
I’m shocked — more info soon!🤯
#quantumchemistry #science #award #compchem
I’ve been awarded a 2024 Molecular Physics Early Career Researcher Prize for research done during my visit to Weizmann Institute of Science, supervised by Prof. Jan M. L. Martin:
doi.org/10.1080/0026...
I’m shocked — more info soon!🤯
#quantumchemistry #science #award #compchem
New paper out in Journal of Physical Chemistry B with Dr Adam Kowalczyk!
We explored how structural differences—aglycone, glycoside, or glucuronide—affect flavonoid antioxidant activity using both experiments and quantum modeling.
🔗 doi.org/10.1021/acs....
#chemistry #DFT #antioxidants #science
We explored how structural differences—aglycone, glycoside, or glucuronide—affect flavonoid antioxidant activity using both experiments and quantum modeling.
🔗 doi.org/10.1021/acs....
#chemistry #DFT #antioxidants #science
Aglycone, Glycoside, or Glucuronide? Experimental and Mechanistic Insights into the Antioxidative Potential of Gossypetin, Gossypin, and Hibifolin
Oxidative stress, caused by an imbalance between reactive oxygen species and antioxidants, drives chronic diseases such as cancer and neurodegeneration. This study investigates the antioxidant potenti...
doi.org
July 16, 2025 at 8:27 PM
New paper out in Journal of Physical Chemistry B with Dr Adam Kowalczyk!
We explored how structural differences—aglycone, glycoside, or glucuronide—affect flavonoid antioxidant activity using both experiments and quantum modeling.
🔗 doi.org/10.1021/acs....
#chemistry #DFT #antioxidants #science
We explored how structural differences—aglycone, glycoside, or glucuronide—affect flavonoid antioxidant activity using both experiments and quantum modeling.
🔗 doi.org/10.1021/acs....
#chemistry #DFT #antioxidants #science
Pre-proof out! 🌟
Soranjidiol emerges as a promising heavy-atom-free photosensitizer: doi.org/10.1016/j.jp...
⚡ Ultrafast ESIPT → long-lived triplet states
🔦 2-photon absorption → deep tissue action
#PDT #Photochemistry #Photosensitizer #CompChem #TDDFT #Pharmacy #TDDFT
Soranjidiol emerges as a promising heavy-atom-free photosensitizer: doi.org/10.1016/j.jp...
⚡ Ultrafast ESIPT → long-lived triplet states
🔦 2-photon absorption → deep tissue action
#PDT #Photochemistry #Photosensitizer #CompChem #TDDFT #Pharmacy #TDDFT
Redirecting
doi.org
June 24, 2025 at 9:10 AM
Pre-proof out! 🌟
Soranjidiol emerges as a promising heavy-atom-free photosensitizer: doi.org/10.1016/j.jp...
⚡ Ultrafast ESIPT → long-lived triplet states
🔦 2-photon absorption → deep tissue action
#PDT #Photochemistry #Photosensitizer #CompChem #TDDFT #Pharmacy #TDDFT
Soranjidiol emerges as a promising heavy-atom-free photosensitizer: doi.org/10.1016/j.jp...
⚡ Ultrafast ESIPT → long-lived triplet states
🔦 2-photon absorption → deep tissue action
#PDT #Photochemistry #Photosensitizer #CompChem #TDDFT #Pharmacy #TDDFT