@khodov.bsky.social
🔬 New Research Published! 🔬
Our latest study dives into the conformational evolution of bicalutamide in chloroform using NMR spectroscopy.
Read the full paper here: doi.org/10.3390/mole...
#NMR #Bicalutamide #ConformationalChanges #Research #Polymorphism
Our latest study dives into the conformational evolution of bicalutamide in chloroform using NMR spectroscopy.
Read the full paper here: doi.org/10.3390/mole...
#NMR #Bicalutamide #ConformationalChanges #Research #Polymorphism
November 21, 2025 at 9:56 AM
🔬 New Research Published! 🔬
Our latest study dives into the conformational evolution of bicalutamide in chloroform using NMR spectroscopy.
Read the full paper here: doi.org/10.3390/mole...
#NMR #Bicalutamide #ConformationalChanges #Research #Polymorphism
Our latest study dives into the conformational evolution of bicalutamide in chloroform using NMR spectroscopy.
Read the full paper here: doi.org/10.3390/mole...
#NMR #Bicalutamide #ConformationalChanges #Research #Polymorphism
We are pleased to announce the publication of our latest research in JML. Our study investigates the conformational behavior of etoricoxib through NOESY spectroscopy and quantum-chemical calculations.
doi.org/10.1016/j.mo... #PharmaceuticalResearch #MolecularLiquids #DrugDevelopment #NMR #NOESY
doi.org/10.1016/j.mo... #PharmaceuticalResearch #MolecularLiquids #DrugDevelopment #NMR #NOESY
November 20, 2025 at 8:00 AM
We are pleased to announce the publication of our latest research in JML. Our study investigates the conformational behavior of etoricoxib through NOESY spectroscopy and quantum-chemical calculations.
doi.org/10.1016/j.mo... #PharmaceuticalResearch #MolecularLiquids #DrugDevelopment #NMR #NOESY
doi.org/10.1016/j.mo... #PharmaceuticalResearch #MolecularLiquids #DrugDevelopment #NMR #NOESY
Our study examines the reaction between flufenamic acid (FFA) and CO₂ in supercritical CO₂ solutions. The reaction occurs through the carboxyl group, producing a stable product. During crystallization, FFA transforms into a distinct polymorphic form. #Chemistry #CO2 #NMR doi.org/10.1016/j.mo...
October 17, 2025 at 5:48 AM
Our study examines the reaction between flufenamic acid (FFA) and CO₂ in supercritical CO₂ solutions. The reaction occurs through the carboxyl group, producing a stable product. During crystallization, FFA transforms into a distinct polymorphic form. #Chemistry #CO2 #NMR doi.org/10.1016/j.mo...
📢 New review from our group!
We discuss the structural features, polymorphic forms, and design strategies for advanced solid forms of bicalutamide, linking molecular insights with formulation approaches.
#Polymorphism #PharmaceuticalSciences #Bicalutamide #NMR #NMRchat
🔗 doi.org/10.3390/mole...
We discuss the structural features, polymorphic forms, and design strategies for advanced solid forms of bicalutamide, linking molecular insights with formulation approaches.
#Polymorphism #PharmaceuticalSciences #Bicalutamide #NMR #NMRchat
🔗 doi.org/10.3390/mole...
September 22, 2025 at 5:43 AM
📢 New review from our group!
We discuss the structural features, polymorphic forms, and design strategies for advanced solid forms of bicalutamide, linking molecular insights with formulation approaches.
#Polymorphism #PharmaceuticalSciences #Bicalutamide #NMR #NMRchat
🔗 doi.org/10.3390/mole...
We discuss the structural features, polymorphic forms, and design strategies for advanced solid forms of bicalutamide, linking molecular insights with formulation approaches.
#Polymorphism #PharmaceuticalSciences #Bicalutamide #NMR #NMRchat
🔗 doi.org/10.3390/mole...
New study in Journal of Molecular Liquids: ML predicts NMR chemical shifts for metal complexes (45Sc, 49Ti, 89Y, 91Zr, 139La). CatBoost+RDKit ≈7% RMSE (Sc/Y/La); SHAP highlights key features. Read: doi.org/10.1016/j.mo... #NMR #MachineLearning #TransitionMetals
August 29, 2025 at 11:07 AM
New study in Journal of Molecular Liquids: ML predicts NMR chemical shifts for metal complexes (45Sc, 49Ti, 89Y, 91Zr, 139La). CatBoost+RDKit ≈7% RMSE (Sc/Y/La); SHAP highlights key features. Read: doi.org/10.1016/j.mo... #NMR #MachineLearning #TransitionMetals
New paper out! 📄
We refined our single-NOESY method for bicalutamide in scCO₂.
Result: 24% open / 76% closed conformers — consistent with earlier work ✅ Robust methodology confirmed.
#NMR #NOESY #StructuralChemistry #DrugDesign
🔗 doi.org/10.1016/j.mo...
We refined our single-NOESY method for bicalutamide in scCO₂.
Result: 24% open / 76% closed conformers — consistent with earlier work ✅ Robust methodology confirmed.
#NMR #NOESY #StructuralChemistry #DrugDesign
🔗 doi.org/10.1016/j.mo...
August 19, 2025 at 10:46 AM
New paper out! 📄
We refined our single-NOESY method for bicalutamide in scCO₂.
Result: 24% open / 76% closed conformers — consistent with earlier work ✅ Robust methodology confirmed.
#NMR #NOESY #StructuralChemistry #DrugDesign
🔗 doi.org/10.1016/j.mo...
We refined our single-NOESY method for bicalutamide in scCO₂.
Result: 24% open / 76% closed conformers — consistent with earlier work ✅ Robust methodology confirmed.
#NMR #NOESY #StructuralChemistry #DrugDesign
🔗 doi.org/10.1016/j.mo...
Our team has a new paper in JML! ✨
Using 1D NOESY & quantum chemistry in supercritical CO₂, we explored how pressure & temperature shift bicalutamide between “closed” and “open” conformers — key for solid form design in pharma.
🔗 doi.org/10.1016/j.mo...
#NMR #SupercriticalCO2 #PharmaScience
Using 1D NOESY & quantum chemistry in supercritical CO₂, we explored how pressure & temperature shift bicalutamide between “closed” and “open” conformers — key for solid form design in pharma.
🔗 doi.org/10.1016/j.mo...
#NMR #SupercriticalCO2 #PharmaScience
August 19, 2025 at 10:01 AM
Our team has a new paper in JML! ✨
Using 1D NOESY & quantum chemistry in supercritical CO₂, we explored how pressure & temperature shift bicalutamide between “closed” and “open” conformers — key for solid form design in pharma.
🔗 doi.org/10.1016/j.mo...
#NMR #SupercriticalCO2 #PharmaScience
Using 1D NOESY & quantum chemistry in supercritical CO₂, we explored how pressure & temperature shift bicalutamide between “closed” and “open” conformers — key for solid form design in pharma.
🔗 doi.org/10.1016/j.mo...
#NMR #SupercriticalCO2 #PharmaScience
🧬 Excited to share our latest review published in Biophysical Reviews!
"The interaction of small molecules with phospholipid membranes studied by solid-state NMR and molecular dynamics simulation"
📖 doi.org/10.1007/s125...
#biophysics #NMR #membranes #MDsimulation #pharmacology
"The interaction of small molecules with phospholipid membranes studied by solid-state NMR and molecular dynamics simulation"
📖 doi.org/10.1007/s125...
#biophysics #NMR #membranes #MDsimulation #pharmacology
July 31, 2025 at 7:39 AM
🧬 Excited to share our latest review published in Biophysical Reviews!
"The interaction of small molecules with phospholipid membranes studied by solid-state NMR and molecular dynamics simulation"
📖 doi.org/10.1007/s125...
#biophysics #NMR #membranes #MDsimulation #pharmacology
"The interaction of small molecules with phospholipid membranes studied by solid-state NMR and molecular dynamics simulation"
📖 doi.org/10.1007/s125...
#biophysics #NMR #membranes #MDsimulation #pharmacology
Excited to announce our new paper in The Journal of Physical Chemistry Letters! 🎉 We reveal two distinct phase states of flufenamic acid inside cellulose aerogels—an amorphous phase in the pores and a liquid-like phase on the surface. doi.org/10.1021/acs....
#Nanocellulose #NMR #MaterialsScience
#Nanocellulose #NMR #MaterialsScience
June 26, 2025 at 6:39 AM
Excited to announce our new paper in The Journal of Physical Chemistry Letters! 🎉 We reveal two distinct phase states of flufenamic acid inside cellulose aerogels—an amorphous phase in the pores and a liquid-like phase on the surface. doi.org/10.1021/acs....
#Nanocellulose #NMR #MaterialsScience
#Nanocellulose #NMR #MaterialsScience