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View article: 1,5-Diarylidene-4-Piperidones as Promising Antifungal Candidates Against Cryptococcus neoformans
1,5-Diarylidene-4-Piperidones as Promising Antifungal Candidates Against Cryptococcus neoformans Open
Background/Objectives: The present study investigates the antifungal potential of 1,5-diarylidene-4-piperidones. Methods: These compounds were synthesized via Claisen–Schmidt condensation, and their antifungal efficacy was tested against C…
View article: 1,5-Diarylidene-4-piperidones as Promising Antifungal Candidates Against<em> Cryptococcus neoformans</em>
1,5-Diarylidene-4-piperidones as Promising Antifungal Candidates Against<em> Cryptococcus neoformans</em> Open
The study investigates the antifungal potential of 1,5-diarylidene-4-piperidones. These compounds were synthesized via Claisen-Schmidt condensation, yielding 26 derivatives with varied electronic and hydrophobic properties. Their antifunga…
View article: Closer Look at the Substituent Effects on the Copolymerization of Thionolactones by Radical Ring-Opening Polymerization
Closer Look at the Substituent Effects on the Copolymerization of Thionolactones by Radical Ring-Opening Polymerization Open
International audience
View article: Molecular Stiffening by Macrocycle Clustering
Molecular Stiffening by Macrocycle Clustering Open
Allosteric stiffening of a portion of a protein surface is a strategy used in nature to regulate protein oligomerization and provide crucial functions for cells. However, a similar strategy to selectively control part of a compound dynamic…
View article: Molecular Stiffening by Macrocycle Clustering
Molecular Stiffening by Macrocycle Clustering Open
Allosteric stiffening of a portion of a protein surface is a strategy used in nature to regulate protein oligomerization and provide crucial functions for cells. However, a similar strategy to selectively control part of a compound dynamic…
View article: A Closer Look at the Substituent Effects on the Copolymerization of Thionolactones by Radical Ring-Opening Polymerization
A Closer Look at the Substituent Effects on the Copolymerization of Thionolactones by Radical Ring-Opening Polymerization Open
The negative impact of plastic waste on the environment is a serious issue for the future. Adding cleavable bonds in the polymer backbone can help to impart degradability properties. To this end, radical ring opening polymerization (rROP) …
View article: Correction: Tracking host–guest recognition in cells by a BODIPY·CB[7] complex
Correction: Tracking host–guest recognition in cells by a BODIPY·CB[7] complex Open
Correction for ‘Tracking host–guest recognition in cells by a BODIPY·CB[7] complex’ by Fengbo Liu et al. , Chem. Commun. , 2025, 61 , 6675–6678, https://doi.org/10.1039/D5CC00663E.
View article: Rapid Determination of Methamphetamine, Methylenedioxymethamphetamine, Methadone, Ketamine, Cocaine, and New Psychoactive Substances in Urine Samples Using Comprehensive Two-Dimensional Gas Chromatography
Rapid Determination of Methamphetamine, Methylenedioxymethamphetamine, Methadone, Ketamine, Cocaine, and New Psychoactive Substances in Urine Samples Using Comprehensive Two-Dimensional Gas Chromatography Open
Background/Objectives: This study evaluates the applicability of a comprehensive two-dimensional gas chromatography−flame ionisation detection (GC×GC−FID) approach for the simultaneous determination of 12 underivatised psychoactive drugs, …
View article: Controlled Reactivity of Viologens in Alkaline Solutions Via Cucurbit[7]uril Complexation
Controlled Reactivity of Viologens in Alkaline Solutions Via Cucurbit[7]uril Complexation Open
A series of N ‐alkyl‐ and N ‐aryl‐viologens has been studied in alkaline solutions. In this work, we evaluated the deuteration rate of the viologens in D 2 O solutions of pH values ranging from 7.3 to 12.7. Kinetic experiments and computat…
View article: Efficient DNP at high fields and fast MAS with antenna-sensitized dinitroxides
Efficient DNP at high fields and fast MAS with antenna-sensitized dinitroxides Open
Optimized dinitroxide structures by design for DNP enhanced solid-state NMR at high magnetic field.
View article: CCDC 2182217: Experimental Crystal Structure Determination
CCDC 2182217: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Development of an Efficient Thionolactone for Radical Ring-Opening Polymerization by a Combined Theoretical/Experimental Approach
Development of an Efficient Thionolactone for Radical Ring-Opening Polymerization by a Combined Theoretical/Experimental Approach Open
The environmental impact of plastic waste has been a real problem for the past decades. The incorporation of cleavable bonds in the polymer backbone is a solution to making a commodity polymer degradable. When radical polymerization is use…
View article: Internal Dynamics and Modular Peripheral Binding in Stimuli‐Responsive 3 : 2 Host:Guest Complexes
Internal Dynamics and Modular Peripheral Binding in Stimuli‐Responsive 3 : 2 Host:Guest Complexes Open
Now that the chemistry of 1 : 1 host:guest complexes is well‐established, it is surprising to note that higher stoichiometry (oligomeric) complexes, especially those with excess host, remain largely unexplored. Yet, proteins tend to oligom…
View article: Internal Dynamics and Modular Peripheral Binding in Stimuli‐Responsive 3 : 2 Host:Guest Complexes
Internal Dynamics and Modular Peripheral Binding in Stimuli‐Responsive 3 : 2 Host:Guest Complexes Open
Now that the chemistry of 1 : 1 host:guest complexes is well‐established, it is surprising to note that higher stoichiometry (oligomeric) complexes, especially those with excess host, remain largely unexplored. Yet, proteins tend to oligom…
View article: Development of an Efficient Thionolactone for Radical Ring-Opening Polymerization by a Combined Theoretical/Experimental Approach
Development of an Efficient Thionolactone for Radical Ring-Opening Polymerization by a Combined Theoretical/Experimental Approach Open
The environmental impact of plastic waste has been a real problem for the past decades. The incorporation of cleavable bonds in the polymer backbone is a solution to make a commodity polymer degradable. When radical polymerization is used,…
View article: Oligomers. Relations between their computed free energies
Oligomers. Relations between their computed free energies Open
Free energies G (X) n of 12 1,ω‐dihydrooligomers (X) n ( n , number of the monomeric units) have been determined by quantum calculations. We note that these values are correlated by (a) an excellent linear relationship: G (X) n = A n – 761…
View article: Deuterated TEKPol Biradicals and the Spin‐Diffusion Barrier in MAS DNP
Deuterated TEKPol Biradicals and the Spin‐Diffusion Barrier in MAS DNP Open
The sensitivity of NMR spectroscopy is considerably enhanced by dynamic nuclear polarization (DNP). In DNP polarization is transferred from unpaired electrons of a polarizing agent to nearby proton spins. In solids, this transfer is follow…
View article: Deuterated TEKPol Biradicals and the Spin‐Diffusion Barrier in MAS DNP
Deuterated TEKPol Biradicals and the Spin‐Diffusion Barrier in MAS DNP Open
The sensitivity of NMR spectroscopy is considerably enhanced by dynamic nuclear polarization (DNP). In DNP polarization is transferred from unpaired electrons of a polarizing agent to nearby proton spins. In solids, this transfer is follow…
View article: Deuterated TEKPol Biradicals and the Spin-Diffusion Barrier in MAS DNP
Deuterated TEKPol Biradicals and the Spin-Diffusion Barrier in MAS DNP Open
Raw data set for the publication "Deuterated TEKPol Biradicals and the Spin-Diffusion Barrier in MAS DNP". The file contains data from DFT, EPR, NMR and DNP-calculations, and a text file describing the contents of all the folders. DOI of p…
View article: Deuterated TEKPol Biradicals and the Spin-Diffusion Barrier in MAS DNP
Deuterated TEKPol Biradicals and the Spin-Diffusion Barrier in MAS DNP Open
Raw data set for the publication "Deuterated TEKPol Biradicals and the Spin-Diffusion Barrier in MAS DNP". The file contains data from DFT, EPR, NMR and DNP-calculations, and a text file describing the contents of all the folders. DOI of p…
View article: Unraveling the reaction mechanism of AlCl<sub>3</sub>Lewis acid catalyzed acylation reaction of pyrene from the perspective of the molecular electron density theory
Unraveling the reaction mechanism of AlCl<sub>3</sub>Lewis acid catalyzed acylation reaction of pyrene from the perspective of the molecular electron density theory Open
Deciphering the C–C bond formation process along the electrophilic attack of the methylacylium ion on pyrene via bonding evolution theory (BET).
View article: Energy‐Efficient Iodine Uptake by a Molecular Host⋅Guest Crystal
Energy‐Efficient Iodine Uptake by a Molecular Host⋅Guest Crystal Open
Recently, porous organic crystals (POC) based on macrocycles have shown exceptional sorption and separation properties. Yet, the impact of guest presence inside a macrocycle prior to adsorption has not been studied. Here we show that the i…
View article: Energy‐Efficient Iodine Uptake by a Molecular Host⋅Guest Crystal
Energy‐Efficient Iodine Uptake by a Molecular Host⋅Guest Crystal Open
Recently, porous organic crystals (POC) based on macrocycles have shown exceptional sorption and separation properties. Yet, the impact of guest presence inside a macrocycle prior to adsorption has not been studied. Here we show that the i…
View article: Sequential Formation of Heteroternary Cucurbit[10]uril (CB[10]) Complexes
Sequential Formation of Heteroternary Cucurbit[10]uril (CB[10]) Complexes Open
The globular and monocationic guest molecule trimethyl‐azaphosphatrane ( AZAP , a protonated Verkade superbase) was shown to form a host:guest 1 : 1 complex with the cucurbit[10]uril (CB[10]) macrocycle in water. Molecular dynamics calcula…
View article: Novel Sterically Crowded and Conformationally Constrained α-Aminophosphonates with a Near-Neutral pKa as Highly Accurate 31P NMR pH Probes. Application to Subtle pH Gradients Determination in Dictyostelium discoideum Cells
Novel Sterically Crowded and Conformationally Constrained α-Aminophosphonates with a Near-Neutral pKa as Highly Accurate 31P NMR pH Probes. Application to Subtle pH Gradients Determination in Dictyostelium discoideum Cells Open
In order to discover new 31P NMR markers for probing subtle pH changes (<0.2 pH unit) in biological environments, fifteen new conformationally constrained or sterically hindered α-aminophosphonates derived from diethyl(2-methylpyrrolidin-2…
View article: Degradable Polystyrene via the Cleavable Comonomer Approach
Degradable Polystyrene via the Cleavable Comonomer Approach Open
Polystyrene (PS) is a major commodity polymer, widely used in various applications ranging from packaging to insulation thanks to its low cost, high stiffness and transparency as well as its relatively high softening temper-ature. Similarl…