Article
Chemistry, Physical
Sumera Zaib, Aliya Ibrar, Imtiaz Khan, Rosa M. Gomila, Muhammad Umair Tariq, Jim Simpson, Christopher John McAdam, Hamad Alrbyawi, Rami Adel Pashameah, Eman Alzahrani, Abd-ElAziem Farouk, Antonio Frontera
Summary: The present study focuses on the synthesis and characterization of four cyclic aminobenzonitrile compounds through nucleophilic aromatic substitution reactions. The crystal packing of these compounds is predominantly governed by hydrogen bonding interactions and aromatic contacts, which have been further analyzed using computational tools. These findings shed light on the importance of pi-stacking and CH...pi interactions in the complex structural topology of organic crystals.
JOURNAL OF MOLECULAR STRUCTURE
(2023)
Article
Chemistry, Organic
Qing-Qing Bian, Ying-Jie Liu, Zhi-Xiang Zhao, Hao Wu, Qing-Xiang Liu
Summary: In this study, a macrocyclic tetra-imidazolium salt 2 was synthesized and characterized. The recognition ability of 2 towards aromatic compounds was investigated using various spectroscopic techniques.
Article
Biochemistry & Molecular Biology
Sergi Burguera, Antonio Frontera, Antonio Bauza
Summary: In this study, the effects of substituents on silicon tetrel bonding (TtB) complexes were investigated using theoretical calculations. The electronic nature of substituents in both donor and acceptor moieties was found to influence the interaction energy. Different tetrafluorophenyl silane derivatives with various electron donating and electron withdrawing groups were used, along with hydrogen cyanide derivatives as electron donor molecules. The results showed good regression plots between interaction energies and Hammett's sigma parameter.
Article
Chemistry, Organic
Kazuma Matsunaga, Ryusei Endo, Kokoro Nagasawa, Atsushi Kishida, Kazuhiko Takatori
Summary: This article describes a method for synthesizing succinonitrile derivatives bearing alkyl or aryl substituents using low-valent titanium.
JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Physical
N. Almutlaq, A. F. Al-Hossainy, M. Sh Zoromba
Summary: Hydrochloric acid doped poly (p-nitroaniline -co- o-aminophenol) [PpNAoAP] was synthesized and a thin film was fabricated, characterized, and optimized. The optical properties of the film were in good agreement with the computational results, indicating its potential for optoelectronic devices and polymer-solar cell applications.
JOURNAL OF MOLECULAR STRUCTURE
(2021)
Article
Chemistry, Physical
Hyungjun Kim, Sojung Koo, Jaewoon Lee, Jinwoo Lee, Sangeon Park, Maenghyo Cho, Duho Kim
Summary: A novel electrochemistry involving anion redox via oxygen ions has been investigated for high-energy-density cathodes in alkali-ion batteries. The stability of Mg2+ site and interlayer O - O dimerization are found to be critical factors affecting the hysteretic oxygen capacity. These findings provide insights into improving the performance of sodium-ion batteries by utilizing oxygen redox reactions.
ENERGY STORAGE MATERIALS
(2022)
Article
Chemistry, Multidisciplinary
Sang Loon Tan, Laura N. F. Cardoso, Marcus V. N. de Souza, Solange M. S. Wardell, James L. Wardell, Edward R. T. Tiekink
Summary: The crystal of (2-thienyl)CH2CON(H)-N.C(H)Ph was found to exhibit parallel, offset pi[C(= O)N(H)N = C]...pi(phenyl) interactions alongside more conventional non-covalent interactions. Analysis of the interactions showed that the pi[C(= O)N(H)N = C]...pi(phenyl) interactions are attractive, providing an energy of association of about 15 kJ mol(-1) in the molecular packing. These interactions occur in approximately 5-6% of crystals where they can potentially occur, according to a survey of related structures in the literature.
Article
Biochemistry & Molecular Biology
Himansu S. Biswal, Akshay Kumar Sahu, Bartomeu Galmes, Antonio Frontera, Deepak Chopra
Summary: The study examines the importance of selenium-centered noncovalent chalcogen bonds in small molecules and proteins, analyzing their strength, stability, and attractive role in the solid-state through computational analyses. The results from molecules in the Cambridge Structural Database (CSD) and Protein Data Bank (PDB) offer insights for designing futuristic materials with consideration of these interactions, particularly in the field of biology.
Article
Spectroscopy
Karolina Baranowska, Michal Monka, Agnieszka Kowalczyk, Zbigniew Kaczynskr, Piotr Bojarski, Marek Jozefowicz
Summary: This research aims to investigate the noncovalent supramolecular interactions between four methyl benzoate derivatives and chemical and biological nanocavities. Spectroscopic techniques were used to study the photophysical and photochemical properties of the molecules in aqueous solution with the presence of macrocyclic host psulfocalix[6]arenes. The study found that the inclusion complexes formed between the molecules and the macrocycles depend on the stoichiometry and the hydrophobicity of the cavity.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Chemistry, Multidisciplinary
Chunchun Li, Zheng Chen, Yiming Huang, Yingrui Zhang, Xinyuan Li, Ziwei Ye, Xin Xu, Steven E. J. Bell, Yikai Xu
Summary: This study demonstrates the direct probing of p-metal interactions under ambient conditions using surface-enhanced Raman spectroscopy (SERS). The findings of this long-neglected interaction have significant implications for various applications.
Review
Chemistry, Multidisciplinary
Qin Xiang, Lei Ye, Lan Ma, Zhe Sun
Summary: This minireview summarizes the early studies on the olympicenyl radical (OR) and recent advances in the field, including substituted OR derivatives, heteroatom-containing OR derivatives, and OR-based diradicals and polyradicals. The synthesis, stabilization strategies, self-association behaviors, reactivities, and applications in the biological field of these compounds are discussed.
Article
Chemistry, Physical
Joseph Grondin, Christian Aupetit, Jean-Marc Vincent, Raphael Mereau, Thierry Tassaing
Summary: The visible light promoted perfluoroalkylation reactions involving halogen bonding interactions have been recognized as a powerful tool in radical synthetic chemistry. Studies showed that the halogen-bonded complexes are the main species present in solution during perfluoroalkylation reactions, with UV-Vis spectroscopy revealing a significant increase in absorption from 225 to 350 nm, proportional to the basicity of the Lewis base.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Sergi Burguera, Antonio Bauza, Antonio Frontera
Summary: This study provides evidence that Hg(II)& sdot;& sdot;& sdot;d(8)[M] interactions should be more accurately described as spodium bonds.
Article
Multidisciplinary Sciences
Ankit Thakuri, Mainak Banerjee, Amrita Chatterjee
Summary: In this study, a rapid and convenient method for the synthesis of unsymmetrical azo dyes was developed using microwave-assisted and metal-catalyst-free techniques. The effects of electronic and substituent groups on the reaction were thoroughly understood through competitive reactions.
Article
Biochemistry & Molecular Biology
Jiri Czernek, Jiri Brus, Vladimira Czernekova, Libor Kobera
Summary: This study investigates the strength of C-H···O and O-H···O hydrogen bonding in C-2h-symmetric dimers of acrylic acid. The intrinsic strength of the C-H···O interaction is found to be about a quarter of its O-H···O counterpart, contrary to expectation.
Article
Optics
Rosalba Juarez-Mosqueda, Sami Malola, Hannu Hakkinen
EUROPEAN PHYSICAL JOURNAL D
(2019)
Article
Chemistry, Multidisciplinary
Sami Malola, Hannu Hakkinen
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2019)
Article
Chemistry, Multidisciplinary
Mina R. Narouz, Shinjiro Takano, Paul A. Lummis, Tetyana Levchenko, Ali Nazemi, Sami Kaappa, Sami Malola, Goonay Yousefalizadeh, Larry A. Calhoun, Kevin G. Stamplecoskie, Hannu Hakkinen, Tatsuya Tsukuda, Cathleen M. Crudden
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
(2019)
Article
Chemistry, Multidisciplinary
Malgorzata Pamula, Maija Nissinen, Kaisa Helttunen
CHEMISTRY-A EUROPEAN JOURNAL
(2020)
Article
Chemistry, Multidisciplinary
Emilia J. Virtanen, Siiri Peramaki, Kaisa Helttunen, Ari Vaisanen, Jani O. Moilanen
Summary: This study investigates six simple water-soluble aminobis(phosphonate) ligands as precipitating agents for rare earth elements, thorium, and uranium, achieving efficient separation with high separation factors. The ligands also demonstrate improved separation efficiency for adjacent lanthanoids compared to traditional precipitation agents, while enabling the recovery of precipitated metals without decomposition for potential recycling in the separation process.
Article
Chemistry, Organic
Kaisa Helttunen
Summary: A calix[4]pyrrole receptor with two proximally meso-meso linking isophthaloyl straps displays open and closed states depending on the calix[4]pyrrole conformation. Anion binding triggers a closed state of the receptor providing two types of interactions with an aromatic benzoate guest. NMR experiments show slow exchange dynamics of benzoate, acetate, and chloride anions in the receptor.
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
(2022)
Article
Chemistry, Multidisciplinary
Romain Chevigny, Efstratios D. Sitsanidis, Johanna Schirmer, Eero Hulkko, Pasi Myllyperkio, Maija Nissinen, Mika Pettersson
Summary: A nanoscale infrared (IR) spectroscopy study was conducted to assess the heterogeneity and supramolecular assembly of a two-component supramolecular gel. Near-field IR spectroscopy revealed differences in the secondary structures and non-covalent interactions at different nano-locations of the gel network. The study found that a beta-sheet arrangement and strong hydrogen bonding are dominant in the gel, with an intense pi-pi stacking contribution at the crossing point of fibers. Near-field nanospectroscopy can be a powerful tool for distinguishing non-covalent interactions and advancing the spectroscopic assessment of supramolecular gels.
CHEMISTRY-A EUROPEAN JOURNAL
(2023)
Article
Chemistry, Multidisciplinary
Efstratios D. Sitsanidis, Lara A. L. Dutra, Johanna Schirmer, Romain Chevigny, Manu Lahtinen, Andreas Johansson, Carmen C. Piras, David K. Smith, Marja Tiirola, Mika Pettersson, Maija Nissinen
Summary: In this study, the Fmoc-F/GO hybrid hydrogel was formed by combining Fmoc-F amino acid with graphene oxide (GO) flakes for the first time. GO flakes did not affect Fmoc-F self-assembly but modulated the gel's elasticity and accelerated its formation. The hybrid hydrogel exhibited significant bactericidal activity against Gram-negative Escherichia coli (E. coli), but intermittent bacterial recovery due to the inoculum effect was observed.
Article
Chemistry, Physical
Johanna Schirmer, Romain Chevigny, Aleksei Emelianov, Eero Hulkko, Andreas Johansson, Pasi Myllyperkio, Efstratios D. Sitsanidis, Maija Nissinen, Mika Pettersson
Summary: This study investigates the effects of laser-oxidized single layer graphene (SLG) surface on the self-assembly of amphiphilic gelator N-fluorenylmethoxycarbonyl-l-phenylalanine (Fmoc-Phe) towards a gel-SLG interface. The laser oxidation modulates the hydrophobicity/hydrophilicity levels on the SLG surface. Various microscopy techniques were used to assess the effects of surface properties on the organization of Fmoc-Phe fibers at the SLG-gel interface. The findings underline the sensitivity of assembled structures to surface properties and demonstrate the potential of the characterization approach for the development of bionic devices.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Organic
Malgorzata Pamula, Evgeny Bulatov, Luis Martinez-Crespo, Anniina Kiesilae, Julia Naulapaeae, Elina Kalenius, Kaisa Helttunen
Summary: Calix[4]pyrroles with hydroxyl or urea groups attached to the meso-positions were synthesized and screened for their anion binding properties. The results showed that the compounds could form complexes with various anions. Further studies were conducted to compare their affinities for chloride and dihydrogenphosphate anions. The findings indicated that appending calix[4]pyrroles with two hydrogen bonding arms could enhance their anion affinity and make them potential anion transporters and receptors.
ORGANIC & BIOMOLECULAR CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Johanna Schirmer, Ester Iatta, Aleksei V. Emelianov, Maija Nissinen, Mika Pettersson
Summary: Biosensors based on graphene and bio-graphene interfaces have gained popularity due to their excellent electronic and mechanical properties. This study investigates the catalytic activity of horseradish peroxidase immobilized on graphene surfaces with varying degrees of oxidation. The results show that the catalytic activity decreases with increasing oxidation, indicating surface-related effects on enzyme activity.
ADVANCED MATERIALS INTERFACES
(2023)
Article
Chemistry, Multidisciplinary
Erich See, Elsa Korhonen, Maija Nissinen, Mika Pettersson
Summary: In this study, a novel boron-dipyrromethene (BODIPY)-caged amine was synthesized and its release behavior with green light was demonstrated both in solution and adhered to a graphene surface. The non-covalent conjugation of a BODIPY-capped PPG amine with a graphene surface opens up possibilities for space-selective functionalization.
NEW JOURNAL OF CHEMISTRY
(2023)
Article
Chemistry, Multidisciplinary
Romain Chevigny, Johanna Schirmer, Carmen C. Piras, Andreas Johansson, Elina Kalenius, David K. Smith, Mika Pettersson, Efstratios D. Sitsanidis, Maija Nissinen
Summary: The experiment describes a transient organo-gelation system with spatiotemporal dynamic properties, in which the solvent actively controls a complex set of equilibria that underpin the dynamic assembly event, leading to the observed metastability.
CHEMICAL COMMUNICATIONS
(2021)
Article
Chemistry, Multidisciplinary
Efstratios D. Sitsanidis, Johanna Schirmer, Aku Lampinen, Kamila K. Mentel, Vesa-Matti Hiltunen, Visa Ruokolainen, Andreas Johansson, Pasi Myllyperkio, Maija Nissinen, Mika Pettersson
Summary: The approach involves controlled protein immobilization on laser-induced two-photon (2P) oxidation patterned graphene oxide (GO) surfaces. By adjusting parameters such as laser pulse energy, irradiation time, protein concentration, and duration of incubation, the localization and oxidation levels of proteins can be controlled, leading to guided protein assembly over graphene surfaces.
NANOSCALE ADVANCES
(2021)