Unraveling Terminal Cobalt–Antimony Double Bond: Breaking New Ground in Heavy Pnictogen Multiple Bonds

N-heterocyclic carbenes (NHCs) function as “molecular scissors,” cleaving otherwise inert Sb═Sb bonds in distibenes to generate monomeric, zwitterionic stibinide species. These intermediates act as e...

onlinelibrary.wiley.com

Deriving General Energy Predictors for Pnictogen Bonding

This study derives general energetic predictors for pure pnictogen bonds from nitrogen to bismuth based on the potential energy density at the bond critical point. The research highlights the increas...

chemistry-europe.onlinelibrary.wiley.com

La química supramolecular obre la porta a materials intel·ligents gràcies a una molècula dissenyada a la UIB

Un equip d’investigadors del Departament de Química de la Universitat de les Illes Balears (UIB) ha desenvolupat una nova molècula capaç d’autoorganitzar-se en estructures de dimensions diferents, un fenomen clau per desenvolupar nous  materials moleculars avançats que podrien substituir els plàstics en diferents àmbits d’aplicació.

uib.es

Halogen-Dependent Switching between σ-Hole and π-Hole Donor Modes in Bifunctional Halopolyfluorobiphenyl Platforms: From Perfluoroarene–Arene Stacking to Dominant Halogen Bonding

This study systematically investigates the halogen-dependent interplay between σ-hole (halogen bonding) and π-hole (perfluoroarene–arene stacking) interactions using a bifunctional perfluoroarene–aren...

pubs.acs.org

Fluorinated Pentanidium-Enabled Enantioselective Desymmetrization of Phosphinic Acids

Catalyst design within chiral cationic phase-transfer catalysts (ccPTCs) has commonly relied on the assistance of hydrogen bonding and steric hindrance to achieve high stereochemical control. In contr...

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Norfloxacin–NSAID Pharmaceutical Salts: Structure–Property Relationships for Enhanced Solubility and Stability

The use of antibiotics is usually associated with mucosal damage and antimicrobial resistance due to inefficient dosing. This issue is particularly relevant for norfloxacin (NOR), whose amphoteric nat...

doi.org

Norfloxacin–NSAID Pharmaceutical Salts: Structure–Property Relationships for Enhanced Solubility and Stability

The use of antibiotics is usually associated with mucosal damage and antimicrobial resistance due to inefficient dosing. This issue is particularly relevant for norfloxacin (NOR), whose amphoteric nature leads to strongly pH-dependent solubility and low oral bioavailability. To overcome these limitations, this work presents three novel drug–drug pharmaceutical salts of NOR with the anti-inflammatory drugs ketoprofen (KET), dexketoprofen (DKT), and niflumic acid (NIF). Salts were synthesized by mechanochemical and slurry strategies and fully characterized using thermal, spectroscopic, and X-ray diffraction techniques. The crystal structure, along with DFT and QTAIM computational analyses, showed that salts are governed by tetrameric assembly formation. However, while NOR–KET and NOR–DKT are stabilized by robust charge-assisted hydrogen bonds, NOR–NIF packing arrangement is dominated by weaker hydrogen bonds together with π–π and CF3···π interactions. These supramolecular differences were directly reflected in the pharmaceutical performance. The salts suppressed the rapid hydration of NOR under aqueous environments and showed improved stability at physiological pH. Moreover, NOR–KET and NOR–DKT significantly enhanced the solubility of both NOR and the corresponding NSAIDs in PBS at pH 6.8, while all salts provided a more controlled NOR dissolution profile under acidic conditions. These findings demonstrate that salt formation is an effective strategy to overcome the solubility and stability limitations in NOR and NSAIDs, offering a framework for improving the performance not only of NOR but also of other APIs facing similar challenges.

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Perfluoroaromatic Selenoxides: Synthesis, Crystal Engineering via Se···O/Se···N Chalcogen Bonding, and Theoretical Analysis

Chalcogen-bonded (ChB) synthons have become essential tools for crystal engineering and supramolecular chemistry. This work explores perfluoroarylselenoxide (Ar2FSe═O) moieties as a promising class of...

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Sustainable high-throughput microwell spectrophotometric methods for avapritinib quality control via charge-transfer complexation - Scientific Reports

Scientific Reports - Sustainable high-throughput microwell spectrophotometric methods for avapritinib quality control via charge-transfer complexation

nature.com

Cooperativity and Anticooperativity Effects in a Cadmium-Based Metal−Organic Framework: Structural Characterization, Non-Covalent Interaction Analysis, and Catalytic Activity

Two polynuclear cadmium(II)-based metal−organic framework complexes, [CdL1bpy]n·nH2L1(1) (H2L1 = 4-hydroxy-7-(trifluoromethyl)quinoline-3-carboxylic acid, bpy = 4,4′-bipyridine) and [CdL2ClH2O]n(2) (H...

pubs.acs.org

Supramolecular assembly of lead(II) complexes with a hexamethyleneimine-bearing thiosemicarbazone: interplay between traditional tetrel bonds and “like-like” Pb···Pb interactions.

Three novel coordination compounds, namely [Pb(L)Cl]2 (1), [Pb(L)(NO2)]2.2(CH3OH) (2), and [Pb6(L)4(Cl)2(NCS)6].2(CH3OH) (3), where HL is 1-(pyridine-…

sciencedirect.com

Interplay between Inter- and Intramolecular Halogen-/Chalcogen-Bonding in Two-Molecule Aggregates Featuring TeII···I Secondary-Bonding Interactions and in Their Congeners

The Cambridge Structural Database (CSD) was searched for crystals containing both tellurium(II) and iodine, revealing ten molecular crystals featuring distinct two-molecule aggregates encompassing Te·...

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Synthesis and Systematic Reactivity of a Bispyrrole-based Germylene

Germylenes have attracted considerable attention over the last four decades, owing to their stability and versatile reactivity in bond activation and catalysis. In parallel, dipyrromethene-derived fra...

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Engineering Ultrafast Molecular Rotors via Chalcogen bonds

Chalcogen bonds are emerging σ-hole interactions with untapped potential in amphidynamic materials. We report the first crystalline molecular rotors held by chalcogen bonds and their ultrafast rotatio...

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Terminal Substituent Control of Trifunctional σ/π-Hole Donor Behavior in Iodoselane Cocrystals: From Discrete Heterotrimers to Extended Polymeric Networks

This study systematically investigates the supramolecular assembly of iodoselanes (organoselenenyl iodides of the general type ArFSeI, where ArF is a perfluoroaryl group) bearing different terminal pe...

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