Article
Agriculture, Multidisciplinary
Xiaobang Hou, Yuanfeng Pan, Roshanak Miraftab, Zhihong Huang, Huining Xiao
Summary: Stimuli-responsive materials like redox- and enzyme-responsive macrospheres have been successfully prepared for controlled-release carriers in farmland soil to reduce chemical reagent abuse. These dual-responsive macrospheres show great promise as smart and effective carriers for the controlled release of agrochemicals.
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY
(2021)
Article
Biochemistry & Molecular Biology
Lee E. Hunt, Susan A. Bourne, Mino R. Caira
Summary: The study investigates the formation of eight new crystalline complexes between methylated cyclodextrins and bioactive phenolic acids. The complexes were classified based on the extent of inclusion of the guest molecules within the cavity of the cyclodextrin molecules. The results revealed three full guest encapsulation compounds, three partial guest inclusion compounds, and two rare 'non-inclusion' compounds.
Article
Chemistry, Organic
Naoyuki Hisano, Takeharu Haino
Summary: The host-guest complexation between a bisporphyrin cleft and electron-deficient guest molecules was studied. The X-ray crystal structures showed that the guest molecules were located within the cleft and formed pi-pi stacking interactions. Binding constants and thermodynamic parameters were determined using isothermal titration calorimetry. Two types of enthalpy-entropy compensation effects were observed based on the guest's movement within the cleft. Chiral guest encapsulation induced bisignate circular dichroism.
JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Xuejiao Yang, Bihan Wu, Jiong Zhou, Honglei Lu, Hongyue Zhang, Feihe Huang, Huaimin Wang
Summary: This study demonstrates that host-guest complexation can efficiently regulate enzymatic self-assembly, leading to controlled cancer cell death.
Article
Chemistry, Multidisciplinary
Jie Lu, Yingying Deng, Peng Liu, Qingqing Han, Long Yi Jin
Summary: In this study, the self-assembly of amphiphilic di-macrocyclic host molecules based on beta-cyclodextrin and pillar[5]arene units linked by azophenyl or biphenyl groups was reported. H-1 formed unique nanorings and exhibited photoresponsive colour change, making it suitable for application in carbon paper materials. H-2 formed spherical micelles. These differences were attributed to changes in intermolecular and hydrophilic-hydrophobic interactions caused by different linker units.
Article
Chemistry, Multidisciplinary
Surajit Singh, Ananda Shit, Sahabaj Mondal, Olamilekan Joseph Ibukun, Debasish Haldar
Summary: A degradable, heat-set supramolecular polymer network gel based on stearic acid appended l-lysine, beta-cyclodextrin and potassium carbonate has been developed. The gel exhibits multiple gelA-sol-gelB transitions and can dissolve and re-form based on temperature changes. The irreversible gel system undergoes supramolecular polymer formation to transform into a heat-set fibrillar gelB. This work opens up new avenues for delivering functional molecules and designing intelligent materials.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Organic
Khaleel Assaf
Summary: The supramolecular complexation of doxepin with cucurbit[7]uril was investigated in aqueous solution, and a host-guest complex was formed. The partial encapsulation of doxepin led to the development of a supramolecular assembly at low concentration.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Xiran Yang, Simin Liu
Summary: Cucurbit[10]uril (CB[10]) forms stable host-guest complexes with tetracationic cyclophanes in H2O and DMSO. Encapsulation of cyclophanes in CB[10] weakens their affinity towards anions due to charge repulsion from electronegative carbonyl oxygens on CB[10]. The conformation of cyclophanes is also fixed upon encapsulation. Interestingly, these complexes exhibit positively cooperative effects when forming heteroternary complexes with neutral phenol guests, driven by multiple hydrogen bonding interactions and hydrophobic effects confirmed by X-ray single crystal analysis.
SUPRAMOLECULAR CHEMISTRY
(2021)
Article
Chemistry, Multidisciplinary
Jan Novotny, Jan Chyba, Anna Hruzikova, Petra Pikulova, Aliaksandra Kursit, Michal Knor, Katerina Markova, Jaromir Marek, Pia Jurcek, Ondrej Jurcek, Radek Marek
Summary: Nuclear magnetic resonance (NMR) spectroscopy is a developing field that helps characterize the structure and magnetism of molecules, molecular assemblies, biomolecules, and materials. This study uses the hyperfine field of ruthenium(III) coordination compounds to investigate their supramolecular host-guest binding with cyclodextrins. By analyzing perturbations in the 1H NMR shifts, the binding mode of the interaction is determined, and the effect of cyclodextrin cavity size and guest structural modification on the binding process is explored. The findings demonstrate the usefulness of paramagnetic NMR spectroscopy in studying molecular encapsulation.
CELL REPORTS PHYSICAL SCIENCE
(2023)
Article
Chemistry, Multidisciplinary
Mingshi Zhang, Jayanta Samanta, Chenfeng Ke
Summary: This study focuses on the arrangement of multiple guests in large-pore organic framework materials. It demonstrates the formation of cyclic tetramers through strong hydrogen bonding and other interactions between the framework and the guests. The research also shows the potential of utilizing the framework for catalytic reactions.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Medicinal
Jyotsnamayee Nayak, Ashita Sood, Mahesh Kulharia, Suban K. Sahoo, Rajender Kumar
Summary: This study investigated the effect of pH on the inclusion of DOX into thiolated fi-CD and found that DOX forms a strong inclusion complex with fi-CD-SH at neutral pH. The MD simulation results suggest that the CD ring undergoes flipping at neutral pH, leading to stronger inclusion. The study provides molecular binding information for designing an effective fi-CD-based targeted drug delivery system.
JOURNAL OF CHEMICAL INFORMATION AND MODELING
(2023)
Article
Engineering, Chemical
Anna Marinopoulou, Vassilis Karageorgiou, Dimitris Petridis, Stylianos N. Raphaelides
Summary: In this study, spray dried molecular inclusion complexes of starch with paracetamol were produced using an industrial-scale spray drying unit. Various analytical techniques were employed to investigate the structure, morphology, and physical properties of the spray dried products. The experimental results showed that spray drying technique is suitable for producing starch molecular inclusion complexes with enhanced functional properties.
Article
Chemistry, Multidisciplinary
Benita Barton, Mino R. Caira, Ulrich Senekal, Eric C. Hosten
Summary: This study evaluated the selectivity behavior of a roof-shaped host compound, H1, in different anisole mixtures. The results showed that H1 exhibited remarkable selectivities for ANI or mMANI when oMANI or pMANI was also present. Additionally, high selectivities were noted for ANI and mMANI in ternary experiments with ANI/oMANI/pMANI and oMANI/mMANI/pMANI solutions.
CRYSTAL GROWTH & DESIGN
(2022)
Article
Chemistry, Multidisciplinary
Sanaz Panahandeh, Siyu Li, Bogdan Dragnea, Roya Zandi
Summary: This paper reveals the mechanism of viral shell growth by conducting a series of simulations, and explores how cargo-coat protein interactions can impact the structure and stability of the viral shells. The study finds that coat proteins can assemble around a nucleic acid core to form nonicosahedral structures, which are strained and can easily split into fragments. However, if the larger wild-type genome is available, these metastable nonicosahedral intermediates can be reassembled into stable icosahedral shells.
Article
Chemistry, Multidisciplinary
Laurent Severy, Jacek Szczerbinski, Mert Taskin, Isik Tuncay, Fernanda Brandalise Nunes, Chiara Cignarella, Gabriele Tocci, Olivier Blacque, Jurg Osterwalder, Renato Zenobi, Marcella Iannuzzi, S. David Tilley
Summary: The study demonstrates a non-covalent 'click' chemistry approach to reversibly bind molecular electrocatalysts to electrode surfaces through host-guest complexation. This efficient method enables the replacement and reuse of molecular catalysts, enhancing the attractiveness of electrosynthetic systems.
Article
Materials Science, Multidisciplinary
Lohona K. Soro, Richard C. Knighton, Fernando Avecilla, Waygen Thor, Frederic Przybilla, Olivier Jeannin, David Esteban-Gomez, Carlos Platas-Iglesias, Loic J. Charbonniere
Summary: Two homometallic ytterbium dimers were studied for their solution-state photoluminescence and upconversion properties. Both complexes displayed two-photon cooperative luminescence upconversion in the visible region (lambda(em) approximate to 510 nm) when excited at the near-infrared Yb F-2(5/2) <- F-2(7/2) absorption band at 980 nm. This miniaturization of the cooperative luminescence phenomenon to just two Yb ions provides conclusive evidence for the mechanistic origins of this process. Time-resolved measurements and excited-state modeling revealed a slow recombination of two singly excited ions Yb*Yb* into a virtual excited state, which ultimately resulted in the observed emission at approximate to 510 nm.
ADVANCED OPTICAL MATERIALS
(2023)
Article
Chemistry, Inorganic & Nuclear
Valeria Lagostina, Fabio Carniato, David Esteban-Gomez, Carlos Platas-Iglesias, Mario Chiesa, Mauro Botta
Summary: In this study, the magnetic and relaxation properties of a series of oxovanadium(IV) complexes were investigated. The complexes include [VO(H2O)5]2+, [VO(ox)2]2-, [VO(nta)]-, [VO(dtpa)] 3-, and [VO(acac)2]. The complexes were characterized using EPR measurements and NMRD studies. The results showed differences in the relaxation times and coordination behavior of [VO(acac)2]. The NMRD profiles had contributions from outer- and inner-sphere mechanisms, with the latter including dipolar and scalar mechanisms. The analysis provided information on the exchange rate of coordinated water molecules.
INORGANIC CHEMISTRY FRONTIERS
(2023)
Article
Chemistry, Multidisciplinary
Juan P. Mora-Fuentes, Marcos D. Codesal, Marco Reale, Carlos M. Cruz, Vicente G. Jimenez, Alice Sciortino, Marco Cannas, Fabrizio Messina, Victor Blanco, Araceli G. Campana
Summary: We synthesized and characterized a new type of nanohoop that contains a curved heptagon-containing pi-extended polycyclic aromatic hydrocarbon (PAH) unit. This nanohoop showed strong binding abilities with curved pi-systems such as fullerenes C-60 and C-70. The host-guest complexes formed between the nanohoop and fullerenes displayed rapid charge separation upon photoexcitation, indicating promising electron-donor properties.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Article
Chemistry, Inorganic & Nuclear
Alessandro Nucera, Fabio Carniato, Zsolt Baranyai, Carlos Platas-Iglesias, Mauro Botta
Summary: The Fe(III)-Tiron system was investigated using a combination of experimental and theoretical methods to obtain the speciation in aqueous solution at different pH values. The relaxometric properties of [Fe(Tiron)3]9-, [Fe(Tiron)2(H2O)2]5-, and [Fe(Tiron)(H2O)4]- complexes were characterized using NMR experiments and calculations. The geometry of the Fe3+ coordination environment significantly affects the electronic relaxation, as evidenced by NMR profiles and calculations. Dissociation kinetics studies showed that the [Fe(Tiron)3]9- complex is relatively inert, while the [Fe(Tiron)2(H2O)2]5- complex is more labile.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Katharina Zimmeter, Bertrand Vileno, Carlos Platas-Iglesias, Bharath Vinjamuri, Angeïlique Sour, Peter Faller
Summary: Two new Cu-II-ligand complexes (Cu-II-L1 and Cu-II-L2) inspired by the ATCUN motif were reported. The Cu-II affinity of L2 was substantially increased by replacing the amine and amidate with a pyridine and an amine respectively, reaching a level similar to EDTA. Both Cu-II-L1 and Cu-II-L2 retained several properties of the ATCUN motif, including high selectivity for Cu-II and redox silencing of Cu(II). Cu chelation in biological systems is important for studying the metabolism of Cu and for the treatment of diseases with Cu overload. The synthesis and characterization of these Cu-binding ligands provide valuable insights for the development of Cu-II chelators in biological systems.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Marie M. Le Roy, Simon Hery, Nathalie Saffon-Merceron, Carlos Platas-Iglesias, Thibault Troadec, Raphael Tripier
Summary: In this study, two phosphine oxide-appended cyclam ligands were synthesized efficiently through Kabachnik-Fields type reactions. These ligands exhibited strong affinity for copper(II) ions and demonstrated unprecedented selectivity towards copper(II) ions compared to other divalent cations. This new ligand has great significance in various applications.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Organic
Pablo Corton, Natalia Fernandez-Labandeira, Mauro Diaz-Abellas, Carlos Peinador, Elena Pazos, Arturo Blanco-Gomez, Marcos D. Garcia
Summary: A new polycationic pseudo[1]rotaxane was successfully synthesized through hydrazone bonds, self-assembled in excellent yield in aqueous media. The thermodynamically controlled process involves the [1 + 1] reaction of a bisaldehyde and a trishydrazine, formation of the macrocyclic part, conversion into pseudo[1]rotaxane, and the one-pot [1 + 1 + 1] condensation process. The obtained molecule exhibited the ability to form self-inclusion complexes and supramolecular aggregates in different concentration ranges.
JOURNAL OF ORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Axia Marlin, Angus Koller, Eniko'' Madarasi, Marie Cordier, David Esteban-Gomez, Carlos Platas-Iglesias, Gyula Tircso, Eszter Boros, Veironique Patinec, Raphael Tripier
Summary: In this study, two new derivatives of 1,4,7-triazacyclononane, Hnoapy and H-2 noapa, were synthesized and characterized as potential Ga3+ chelators for nuclear medicine. The corresponding Ga3+ complexes were synthesized and structurally characterized in solution. The stability and labeling efficiency of Hnoapy and H-2 noapa were found to be superior to H-3 nota, making them potential alternatives for Ga-67/68-based radiopharmaceuticals.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Charlene Harriswangler, Juan Frias, M. Teresa Albelda, Laura Valencia, Enrique Garcia-Espana, David Esteban-Gomez, Carlos Platas-Iglesias
Summary: In this study, a set of donor radii for rare-earth cations is presented based on the analysis of structural data. The donor radii are obtained by fitting experimental bond distances, allowing for the prediction of Ln-donor distances regardless of the nature of the rare-earth cation. These donor radii have important implications in understanding the stability and reactivity of complexes of these metal ions.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Charlene Harriswangler, Fatima Lucio-Martinez, Lena Godec, Lohona Kevin Soro, Sandra Fernandez-Farina, Laura Valencia, Aurora Rodriguez-Rodriguez, David Esteban-Gomez, Loic J. Charbonniere, Carlos Platas-Iglesias
Summary: In this study, the H-1 NMR chemical shifts and transverse relaxation rates of three small Dy(III) complexes with different symmetries were analyzed. These complexes exhibited significant emissions in the visible region and near-infrared region. The analysis of H-1 NMR paramagnetic shifts indicated the dominant role of the pseudocontact mechanism. The transverse relaxation data showed a linear correlation with the distance between the Dy(III) ion and the observed proton.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Fatima Lucio-Martinez, David Esteban-Gomez, Laura Valencia, David Horvath, Daniel Szucs, Aniko Fekete, Dezso Szikra, Gyula Tircso, Carlos Platas-Iglesias
Summary: Octadentate ligands with ethyl, cyclohexyl, or cyclopentyl spacers were studied as chelators for Bi(iii)-based radiopharmaceuticals. Among them, the H(4)CHXOCTAPA ligand showed excellent properties, including mild labelling conditions for Bi-205/206 nuclides, high stability in serum and in the presence of competing cations or H(5)DTPA. The poor performance of H(4)CpOCTAPA is attributed to the stereochemical activity of the Bi(iii) lone pair.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Szilvia Bunda, Norbert Lihi, Zsofia Szaniszlo, David Esteban-Gomez, Carlos Platas-Iglesias, Monika Keri, Gabor Papp, Ferenc Krisztian Kalman
Summary: In the field of MRI contrast agents, research on the improvement of in vivo stability has become more important due to the emergence of NSF. This paper reports the thermodynamic, kinetic and structural features of the Gd(III) complex formed with DIPTA, a potential ligand for MRI contrast agents. The results show that the inertness of [Gd(DIPTA)](-) is lower than that of [Gd(EGTA)](-) and [Gd(DTPA)](2-), indicating that the bipyridine backbone is not favorable for the inertness of the chelate.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Nadege Hamon, Lena Godec, Elsa Jourdain, Fatima Lucio-Martinez, Carlos Platas-Iglesias, Maryline Beyler, Loic J. Charbonniere, Raphael Tripier
Summary: Synthetic methodologies were developed to prepare ligands with specific functional groups, and their coordination behavior with Ln(3+) ions was investigated through photophysical studies. The results showed that the phosphonate functions enhance the affinity of the ligands towards Ln(3+) ions and favor the formation of less-hydrated complexes.
INORGANIC CHEMISTRY
(2023)
Article
Chemistry, Inorganic & Nuclear
Szilvia Bunda, Norbert Lihi, Zsofia Szaniszlo, David Esteban-Gomez, Carlos Platas-Iglesias, Monika Keri, Gabor Papp, Ferenc Krisztian Kalman
Summary: In the last 20 years, research on MRI contrast agents has been intensified due to the emergence of nephrogenic systemic fibrosis (NSF) which has been linked to the in vivo dissociation of certain Gd(III)-based compounds used in MRI as contrast agents. This paper reports the thermodynamic, kinetic, and structural features of the complex formed between Gd(III) and DIPTA. It is found that Gd(III) chelates with DIPTA have lower inertness compared to other commonly used contrast agents.
DALTON TRANSACTIONS
(2023)
Article
Chemistry, Inorganic & Nuclear
Alessandro Nucera, Carlos Platas-Iglesias, Fabio Carniato, Mauro Botta
Summary: In this study, a detailed investigation of the relaxation properties of three Gd(III) complexes was conducted. The hydration equilibrium was found to have a significant effect on the fitting of experimental data for some complexes, and accurate parameters for these complexes were obtained.
DALTON TRANSACTIONS
(2023)
