Review
Biochemistry & Molecular Biology
Laura L. Kiessling, Roger C. Diehl
Summary: The text discusses how proteins recognize sugars through CH-π interactions, highlighting the importance of electron-rich aromatic residues in glycan binding.
ACS CHEMICAL BIOLOGY
(2021)
Article
Microbiology
Annie Lebreton, Francois Bonnardel, Yu-Cheng Dai, Anne Imberty, Francis M. Martin, Frederique Lisacek
Summary: Fungal lectins are a type of carbohydrate-binding protein that play important roles in the interactions of fungi with their environment and defense against feeders. Research shows that fungal lectins have highly similar amino acid sequences, indicating an evolutionary relationship among them.
Article
Chemistry, Multidisciplinary
Gloria Tobajas-Curiel, Qingqing Sun, Jeremy K. M. Sanders, Pablo Ballester, Christopher A. Hunter
Summary: This study used chemical double mutant cycles to measure the interaction between a N-methyl pyridinium cation and a pi-box in a calix[4]pyrrole receptor. The cation-pi interaction was found to be attractive (-11 kJ mol-1), but it was 7 kJ mol-1 less favorable than the corresponding aromatic interaction with the isosteric but uncharged tolyl group. The same method was also used to measure the interaction of a pi-box in the calix[4]pyrrole receptor with a cationic N-methyl pyridinium group and neutral isosteric analogues in water.
CHEMICAL COMMUNICATIONS
(2023)
Article
Chemistry, Multidisciplinary
Matej Zabka, Lavakumar Naviri, Ruth M. Gschwind
Summary: The study found that breaking the symmetry of one ligand side chain can induce a strong conformational preference and shift the balance between hetero- and homocomplexes. Modulation of aryl substituents and solvent effects can alter enantioselectivity in metal-catalyzed reactions.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Brian J. J. Timmer, Arjaan Kooijman, Xander Schaapkens, Tiddo J. Mooibroek
Summary: Galectins are a subclass of carbohydrate binding proteins that play a role in various biological processes. A synthetic galectin mimic with high selectivity for a specific galactoside has been designed and synthesized for the first time, showing a selectivity over 65-fold compared to a glucoside.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Muhammad Naeem Ahmed, Maheen Akhtar, Hina Andleeb, Muhammad Adnan Bashir, Mahmoud A. A. Ibrahim, Peter A. Sidhom, Ifzan Arshad, Muhammad Nawaz Tahir, Diego M. Gil, Rosa M. Gomila, Antonio Frontera
Summary: Three new 1,3,4-oxadiazoles were synthesized and their crystal structures were analyzed. The study focused on the weak noncovalent interactions between molecules, including hydrogen bonds and pi interactions. The properties and extent of these interactions were investigated using DFT calculations, QTAIM analysis, NCI plots, and MEP surface plots.
Article
Chemistry, Multidisciplinary
Luhan Zhai, Masayuki Nara, Yuko Otani, Tomohiko Ohwada
Summary: NH-pi and CH-pi interactions, which are weak in nature, are not easily detected in solution. However, a group of isolable short peptides with stable folds have been reported, in which these interactions can be identified using NMR and ATR-IR spectroscopy.
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Angel Sanchez-Gonzalez, Adria Gil
Summary: This study analyzed the intercalation of methylated phenanthroline derivatives in different numbers and positions between guanine-cytosine base pairs. The findings suggest a key and lock mechanism in which interacting fragments fit together to achieve optimal interactions for system stabilization. Interaction energies were calculated using different methods, highlighting the importance of CH/H interactions in the total energy.
Article
Astronomy & Astrophysics
Jing Song, A. Feijoo, E. Oset
Summary: We performed a theoretical study on the D-s(+) ->pi(+)pi(+)pi(-)eta decay, exploring the basic D-s(+) decay at the quark level and the subsequent production of resonances through final state interactions. By applying the G parity filter, we obtained a fair reproduction of the six mass distributions observed in the BESIII experiment.
Article
Polymer Science
Koji Matsuoka, Masaki Nakagawa, Tetsuo Koyama, Takahiko Matsushita, Ken Hatano
Summary: This study investigated the interaction between glycopolymers and proteins by varying the length and density of carbohydrate residues. The results showed that the glycopolymers with the longest methylene length and a specific ratio exhibited the highest interaction strength.
EUROPEAN POLYMER JOURNAL
(2022)
Article
Chemistry, Multidisciplinary
Hongxia Zhao, Chao Liu, Wenlong Ding, Ling Tang, Yu Fang, Yulin Chen, Linzhen Hu, Ying Yuan, Dong Fang, Shixian Lin
Summary: This study reports an approach to greatly increase the binding energy of cation-pi interactions by replacing Trp in the aromatic box with an electron-rich Trp derivative. By using this approach, the binding affinity between histone H3K4me3 and its reader can be significantly enhanced, and a high-affinity H3K4me3 Super-Reader can be constructed.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2022)
Review
Chemistry, Medicinal
Karolina Wojtczak, Joseph P. Byrne
Summary: In this review, the authors discuss the pathogenic bacterium Pseudomonas aeruginosa and its characteristic carbohydrate-binding proteins LecA and LecB, as well as the inhibitors targeting these proteins. The article highlights the structural features of these inhibitors and their impact on binding affinity and therapeutic effects, including carbohydrate selection, linker length and rigidity, and scaffold topology of multivalent candidates. Additionally, the emerging therapeutic strategies based on targeting LecA and LecB, such as anti-biofilm activity, anti-adhesion, and drug delivery, are also discussed, showing promising prospects for medicinal chemistry.
Article
Chemistry, Multidisciplinary
Bright U. Emenike, Amiel Farshadmand, Matthias Zeller, Armando J. Roman, Arzu Sevimler, David W. Shinn
Summary: This study investigates the physical origins of fluorine gauche effects and reveals that the intramolecular CH center dot center dot center dot pi aromatic interactions play a significant role in inducing these effects. The experimental results demonstrate that the CH center dot center dot center dot pi interaction has electrostatic features.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Physical
Jun-Ying Feng, Yuan-Pern Lee, Po-Jen Hsu, Jer-Lai Kuo, Takayuki Ebata
Summary: The structures of (pyrazine)2 and (pyrazine)(benzene) hetero-dimer in a supersonic beam were investigated. The most stable structures for both dimers were identified as the cross-displaced K-K stacked structure. The analysis of the infrared spectra and quantum-chemical calculations confirmed the coexistence of multiple isomers in the supersonic jet.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Article
Chemistry, Physical
Favour E. Odubo, Matthias Zeller, Sergiy V. Rosokha
Summary: The nature and properties of anion-π complexes with different types of anions were studied using experimental and computational analysis. Co-crystals of π-acceptors with fluoro- and oxoanions showed shorter interatomic contacts compared to van der Waals separations. The binding energies between the neutral π-acceptors and polyatomic noncoordinating oxo- and fluoroanions were comparable to those with halides, but the absorption spectra differed due to charge transfer and orbital interactions.
JOURNAL OF PHYSICAL CHEMISTRY A
(2023)
Editorial Material
Multidisciplinary Sciences
David N. Sheppard, Anthony P. Davis
Review
Chemistry, Multidisciplinary
Jinqiao Dong, Anthony P. Davis
Summary: Hydrogen bonding plays a key role in molecular recognition, and recent research has focused on utilizing it in water. Synthetic receptors combining hydrogen bonding with hydrophobic interactions show promise for biomedical applications in the future.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Article
Chemistry, Multidisciplinary
Javier Ramos-Soriano, Sergio J. Benitez-Benitez, Anthony P. Davis, M. Carmen Galan
Summary: The development of chemosensors to detect analytes in biologically relevant solutions is a challenging task. This study successfully synthesized a fluorescent receptor that can detect glucose in aqueous media and distinguish between closely related monosaccharides, highlighting the potential of VIE-type receptors for the quantitative determination of saccharides in biological samples.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2021)
Editorial Material
Chemistry, Multidisciplinary
Luis Martinez-Crespo, Sarah H. Hewitt, Nicola Alessandro De Simone, Vladimir Sindelar, Anthony P. Davis, Stephen Butler, Hennie Valkenier
Summary: The cover of this issue features the transport of bicarbonate anions across the lipid bilayer of a liposome, contrasting with the spontaneous diffusion of CO2.
CHEMISTRY-A EUROPEAN JOURNAL
(2021)
Article
Multidisciplinary Sciences
Jinqiao Dong, Lingmei Liu, Chunxia Tan, Qisong Xu, Jiachen Zhang, Zhiwei Qiao, Dandan Chu, Yan Liu, Qun Zhang, Jianwen Jiang, Yu Han, Anthony P. Davis, Yong Cui
Summary: Researchers showed that crystals composed of discrete supramolecular coordination complexes can be exfoliated by sonication to produce free-standing monolayers. These monolayers have complex chiral surfaces and good crystallinity, and the intermolecular interactions sustaining them are purely due to apolar interactions. This unique material exhibits enhanced selectivity towards carbohydrate recognition.
Article
Chemistry, Organic
Claire S. S. Webster, Federica Balduzzi, Anthony P. P. Davis
Summary: In this study, two water-soluble tricyclic Temple macrocycles were synthesized and evaluated as receptors for aromatic compounds in aqueous media. The results showed that these macrocycles exhibited good selectivity for methylated purine alkaloids and displayed significant changes in fluorescence. Additionally, a geometrically complementary guest was identified with strong binding ability.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Federica Balduzzi, Patrick Stewart, Soumen K. Samanta, Tiddo J. Mooibroek, Thomas Hoeg-Jensen, Kejia Shi, Bradley D. Smith, Anthony P. Davis
Summary: This study discovers a new macrocyclic host that exhibits exceptional affinity and selectivity towards squaraine dyes in water, forming stable complexes with near-infrared fluorescence. This macrocyclic host has the potential to be used as a supramolecular glue in biomedical techniques.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
(2023)
Review
Chemistry, Organic
Alister J. Flint, Anthony P. Davis
Summary: This article provides an overview of vancomycin's structure and action, surveys past work on vancomycin mimicry, and makes the case for renewed effort in the future.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Ondrej Jurcek, Nonappa, Elina Kalenius, Pia Jurcek, Juha M. Linnanto, Rakesh Puttreddy, Hennie Valkenier, Nikolay Houbenov, Michal Babiak, Miroslav Peterek, Anthony P. Davis, Radek Marek, Kari Rissanen
Summary: Constructing structurally complex architectures using unique ligands is a challenge in metallosupramolecular chemistry, but a superchiral Pd3L6 complex can be obtained via supramolecular transmetalation reactions. These complexes can self-organize into hexagonal microparticles in aqueous media, potentially leading to the development of novel metal-organic functional materials made of natural, abundant, and relatively inexpensive steroidal compounds.
CELL REPORTS PHYSICAL SCIENCE
(2021)
Article
Materials Science, Multidisciplinary
Awais Siddique Saleemi, Muhammad Hafeez, Aqsa Munawar, Naeem Akhtar, Waseem Abbas, Muhammad Ehsan Mazhar, Zahid Shafiq, Anthony P. Davis, Shern-Long Lee
JOURNAL OF MATERIALS CHEMISTRY C
(2020)
Article
Chemistry, Multidisciplinary
Danny Van Eker, Soumen K. Samanta, Anthony P. Davis
CHEMICAL COMMUNICATIONS
(2020)
Article
Chemistry, Multidisciplinary
Victoria L. Heywood, Thomas P. J. Alford, Julius J. Roeleveld, Siebe J. Lekanne Deprez, Abraham Verhoofstad, Jarl Ivar van der Vlugt, Sergio R. Domingos, Melanie Schnell, Anthony P. Davis, Tiddo J. Mooibroek
Review
Chemistry, Multidisciplinary
Anthony P. Davis
CHEMICAL SOCIETY REVIEWS
(2020)
Article
Chemistry, Multidisciplinary
Robert A. Tromans, Soumen K. Samanta, Andy M. Chapman, Anthony P. Davis
Article
Chemistry, Multidisciplinary
Hongyu Li, Hennie Valkenier, Abigail G. Thorne, Christopher M. Dias, James A. Cooper, Marion Kieffer, Nathalie Busschaert, Philip A. Gale, David N. Sheppard, Anthony P. Davis
