scholarly journals Disclosing the multi-faceted world of weakly interacting inorganic systems by means of NMR spectroscopy

2016 ◽  
Vol 45 (7) ◽  
pp. 2785-2790 ◽  
Author(s):  
Luca Rocchigiani ◽  
Alceo Macchioni
Keyword(s):  
Nmr Spectroscopy ◽  
Intermolecular Forces ◽  
Supramolecular Assemblies ◽  
Inorganic Systems ◽  
Weakly Interacting ◽  
Non Covalent Interactions ◽  
Covalent Interactions

The potential of NMR spectroscopy to investigate inorganic systems whose structure and reactivity is affected by non-covalent interactions is described; supramolecular assemblies based on relatively unusual intermolecular forces or on more classical ones, still rather unexplored in solution, are considered.

scholarly journals Probing the Interactions of Porphyrins with Macromolecules Using NMR Spectroscopy Techniques

Molecules ◽  
2021 ◽  
Vol 26 (7) ◽  
pp. 1942
Author(s):  
Ilche Gjuroski ◽  
Julien Furrer ◽  
Martina Vermathen
Keyword(s):  
Nmr Spectroscopy ◽  
Photophysical Properties ◽  
Optical Methods ◽  
Spectroscopic Techniques ◽  
Control Mechanisms ◽  
Dynamic Information ◽  
Non Covalent Interactions ◽  
And Control ◽  
And Diffusion ◽  
Covalent Interactions

Porphyrinic compounds are widespread in nature and play key roles in biological processes such as oxygen transport in blood, enzymatic redox reactions or photosynthesis. In addition, both naturally derived as well as synthetic porphyrinic compounds are extensively explored for biomedical and technical applications such as photodynamic therapy (PDT) or photovoltaic systems, respectively. Their unique electronic structures and photophysical properties make this class of compounds so interesting for the multiple functions encountered. It is therefore not surprising that optical methods are typically the prevalent analytical tool applied in characterization and processes involving porphyrinic compounds. However, a wealth of complementary information can be obtained from NMR spectroscopic techniques. Based on the advantage of providing structural and dynamic information with atomic resolution simultaneously, NMR spectroscopy is a powerful method for studying molecular interactions between porphyrinic compounds and macromolecules. Such interactions are of special interest in medical applications of porphyrinic photosensitizers that are mostly combined with macromolecular carrier systems. The macromolecular surrounding typically stabilizes the encapsulated drug and may also modify its physical properties. Moreover, the interaction with macromolecular physiological components needs to be explored to understand and control mechanisms of action and therapeutic efficacy. This review focuses on such non-covalent interactions of porphyrinic drugs with synthetic polymers as well as with biomolecules such as phospholipids or proteins. A brief introduction into various NMR spectroscopic techniques is given including chemical shift perturbation methods, NOE enhancement spectroscopy, relaxation time measurements and diffusion-ordered spectroscopy. How these NMR tools are used to address porphyrin–macromolecule interactions with respect to their function in biomedical applications is the central point of the current review.

scholarly journals A rationally designed perfluorinated host for the extraction of PFOA from water utilising non-covalent interactions

2018 ◽  
Vol 42 (10) ◽  
pp. 7956-7968 ◽  
Author(s):  
Harrison Omorodion ◽  
Miguel Palenzuela ◽  
Manuel Ruether ◽  
Brendan Twamley ◽  
James A. Platts ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Perfluorooctanoic Acid ◽  
Multinuclear Nmr ◽  
Multinuclear Nmr Spectroscopy ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Three hosts for the encapsulation of perfluorooctanoic acid have been synthesized. The host:guest complexes have been characterized by multinuclear NMR spectroscopy in solution and the solid state.

Non-covalent interactions between poly(N-isopropylacrylamide) and small aromatic probe molecules studied by NMR spectroscopy

2017 ◽  
Vol 93 ◽  
pp. 750-760
Author(s):  
Márk Szabó ◽  
Barbara Berke ◽  
Krisztina László ◽  
Zsófia Osváth ◽  
Attila Domján
Keyword(s):  
Nmr Spectroscopy ◽  
Probe Molecules ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Non-Covalent Interactions in Supramolecular Assemblies Investigated with Electron Spectroscopies

ChemPhysChem ◽  
2009 ◽  
Vol 10 (6) ◽  
pp. 896-900 ◽  
Author(s):  
Miguel Ruiz-Osés ◽  
Dimas G. de Oteyza ◽  
Isabel Fernández-Torrente ◽  
Nora Gonzalez-Lakunza ◽  
Phillipp M. Schmidt-Weber ◽  
...  
Keyword(s):  
Supramolecular Assemblies ◽  
Non Covalent Interactions ◽  
Covalent Interactions

scholarly journals A combined experimental and computational study on supramolecular assemblies in hetero-tetranuclear nickel(ii)–cadmium(ii) complexes with N2O4-donor compartmental Schiff bases

2016 ◽  
Vol 45 (38) ◽  
pp. 15048-15059 ◽  
Author(s):  
Sourav Roy ◽  
Anik Bhattacharyya ◽  
Sourav Purkait ◽  
Antonio Bauzá ◽  
Antonio Frontera ◽  
...  
Keyword(s):  
Schiff Bases ◽  
Computational Study ◽  
Supramolecular Assembly ◽  
Supramolecular Assemblies ◽  
Non Covalent Interactions ◽  
Covalent Interactions

The contribution of various non-covalent interactions in the supramolecular assembly of two new hetero-polynuclear nickel(ii)–cadmium(ii) complexes with salicylidine Schiff bases were estimated.

Non-covalent interactions in the crystallization of the enantiomers of 1,7-dioxaspiro[5.5]undecane (olive fly sex pheromone) by enantiospecific cyclodextrin hosts, hexakis(2,3,6-tri-O-methyl)-α-cyclodextrin and heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin

2001 ◽  
Vol 57 (3) ◽  
pp. 399-409 ◽  
Author(s):  
Stella Makedonopoulou ◽  
Konstantina Yannakopoulou ◽  
Demetrios Mentzafos ◽  
Victor Lamzin ◽  
Alexander Popov ◽  
...  
Keyword(s):  
Sex Pheromone ◽  
Intermolecular Forces ◽  
Racemic Mixture ◽  
Olive Fly ◽  
Non Covalent Interactions ◽  
First Time ◽  
Weak Intermolecular Forces ◽  
Covalent Interactions ◽  
Insight Into

The enantiomers of racemic olive fly sex pheromone 1,7-dioxaspiro[5.5]undecane (1) have been isolated by crystallization with enantiospecific cyclodextrin hosts: (S)-(1) crystallizes with heptakis(2,3,6-tri-O-methyl)-β-cyclodextrin (TMβCD) and (R)-(1) with hexakis(2,3,6-tri-O-methyl)-α-cyclodextrin (TMαCD). The crystal structure of TMβCD/(S)-(1) from synchrotron radiation data at 100 K, determined for the first time, proves that TMβCD crystallizes with only the (S)-enantiomer from the racemic mixture. Comparison with the 100 K structure of TMαCD/(R)-(1) redetermined with synchrotron data has provided insight into the interactions between each of the hosts with the corresponding enantiomeric guests. Owing to the high resolution of the data and the unusually high quality of the crystals, localization of the H atoms has been achieved, a rare accomplishment for cyclodextrin X-ray structures. This made possible, apart from the geometry of the complexes, the detailed description of a five-membered-ring water cluster with very well ordered hydrogen bonding. The enantiospecificity exhibited by the described systems reveals the subtle differences of the weak intermolecular forces involved in the selective binding of the two optical antipodes by the two hosts. The binding geometry in the two complexes is different, but it is effected in both by numerous host–guest C—H...O interactions, resulting from induced fit of the hosts toward each of the enantiomeric guests. In TMαCD/(R)-(1) two of these H...O host–guest distances, directed toward the acetal O atoms defining the chirality of the guest, are much shorter than the rest and also shorter than all the H...O distances in TMβCD/(S)-(1). Moreover, (R)-(1) interacts not only with the enclosing host, but with other hosts in the crystal lattice, in contrast to (S)-(1) in the TMβCD/(S)-(1) complex which is isolated inside channels formed by the host molecules. The above differences are reflected in the much higher binding constant of TMαCD/(R)-(1) compared with that of TMβCD/(S)-(1) (∼6800 and ∼935 M−1, respectively), determined by NMR in aqueous solution, and the ability of TMαCD to selectively precipitate (R)-(1) from racemic (1) in much higher yield than TMβCD precipitates (S)-(1).

A combined experimental and computational study of supramolecular assemblies in ternary copper(ii) complexes with a tetradentate N4donor Schiff base and halides

RSC Advances ◽  
2014 ◽  
Vol 4 (102) ◽  
pp. 58643-58651 ◽  
Author(s):  
Anik Bhattacharyya ◽  
Prasanta Kumar Bhaumik ◽  
Antonio Bauzá ◽  
Partha Pratim Jana ◽  
Antonio Frontera ◽  
...  
Keyword(s):  
Schiff Base ◽  
Dft Calculations ◽  
Computational Study ◽  
Supramolecular Assemblies ◽  
Schiff Base Complexes ◽  
Molecular Networks ◽  
Non Covalent Interactions ◽  
Covalent Interactions

Three new copper(ii) Schiff base complexes have been prepared and characterized. DFT calculations were employed to estimate the contribution of different non-covalent interactions in the extended supra-molecular networks.

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