Giudici, Ana Marcela Díaz-García, Clara Renart, Maria Lourdes Coutinho, Ana Prieto, Manuel González-Ros, José M Poveda, José Antonio
Published in
International journal of molecular sciences
Alkylammonium salts have been used extensively to study the structure and function of potassium channels. Here, we use the hydrophobic tetraoctylammonium (TOA+) to shed light on the structure of the inactivated state of KcsA, a tetrameric prokaryotic potassium channel that serves as a model to its homologous eukaryotic counterparts. By the combined...
Wzgarda-Raj, Kinga Rybarczyk-Pirek, Agnieszka Justyna Wojtulewski, Sławomir Palusiak, Marcin
Published in
Acta crystallographica. Section C, Structural chemistry
Cocrystals of trithiocyanuric acid with 2,2'-bipyridyl [1,3,5-triazinane-2,4,6-trithione-2,2'-bipyridine (2/1), 2C3H3N3S3·C10H8N2, (I)] and 4-methylbenzohydrazide [1,3,5-triazinane-2,4,6-trithione-4-methylbenzohydrazide (1/1), C8H10N2O·C3H3N3S3, (II)] crystallize in the monoclinic crystal system. In the crystals, molecules of both components are li...
Mellot, Gaëlle Guigner, Jean-Michel Jestin, Jacques Bouteiller, Laurent Stoffelbach, François Rieger, Jutta
Hypothesis: Thermoresponsive polymers are important materials for various applications. However, the number of polymers that exhibit this property in the temperature range of interest remains limited. The development of novel rational design strategies through the understanding of the thermal transition’s origin is therefore of utmost importance.Ex...
Guillén, Marilia Mora, Asiloé J Belandria, Lusbely M Seijas, Luis E Ramírez, Jeans W Burgos, José L Rincón, Luis Delgado, Gerzon E
Published in
Acta crystallographica Section B, Structural science, crystal engineering and materials
4-Methylhippuric acid {systematic name: 2-[(4-methylbenzoyl)amino]ethanoic acid}, a p-xylene excreted metabolite with a backbone containing three rotatable bonds (R-bonds), is likely to produce more than one stable molecular structure in the solid state. In this work, we prepared polymorph I by slow solvent evaporation (plates with Z' = 1) and poly...
Junor, Glen P Lorkowski, Jan Weinstein, Cory M Jazzar, Rodolphe Pietraszuk, Cezary Bertrand, Guy
Selenium NMR has become a standard tool for scaling the π-accepting character of carbenes. Herein, we highlight that non-classical hydrogen bonding (NCHB), likely resulting from hyperconjugation, can play a significant role in the carbene-selenium 77 Se NMR chemical shift, thus triggering a non-linear behavior of the Se-Scale.
Li, Xiaolong Lu, Tao Obenchain, Daniel A Zhang, Jiaqi Herbers, Sven Grabow, Jens-Uwe Feng, Gang
Published in
Angewandte Chemie (International ed. in English)
The disulfide-centered hydrogen bonds in the three different model systems of diethyl disulfide∙∙∙H 2 O/H 2 CO/HCONH 2 clusters were characterized by high-resolution Fourier transform microwave spectroscopy and quantum chemical computations. The global minimum energy structures for each cluster are experimentally observed, and are characterized by ...
Ohara, Hiroaki Yamamoto, Shunsuke Kuzuhara, Daiki Koganezawa, Tomoyuki Oikawa, Hidetoshi Mitsuishi, Masaya
Published in
ACS applied materials & interfaces
We demonstrate growth control of Cu-based metal-organic framework (MOF) (HKUST-1) thin films assembled by the layer-by-layer technique on polymer films. The crystallinity and crystal face of MOF thin films were found to be controlled by reaction sites in polymer films such as hydroxy groups (the (100) crystal face), carbonyl groups (the (111) cryst...
Biswas, Pronay Kumar Goswami, Abir Saha, Suchismita Schmittel, Michael
Published in
Chemistry (Weinheim an der Bergstrasse, Germany)
The dynamics of hydrogen bonding do not only play an important role in many biochemical processes but also in Nature's multicomponent machines. Here, a three-component nanorotor is presented where both the self-assembly and rotational dynamics are guided by hydrogen bonding. In the rate-limiting step of the rotational exchange, two phenolic O-H-N,N...
Cichosz, Stefan Masek, Anna
Published in
Materials
The following article is the first attempt to investigate the supramolecular structure of cellulose with the varied moisture content by the means of Fourier-transform and near infrared spectroscopy techniques. Moreover, authors aimed at the detailed and precise presentation of IR spectra interpretation approach in order to create a reliable guideli...
Lomas, John S Rosenberg, Robert E Brémond, Eric
Published in
Magnetic resonance in chemistry : MRC
A corona, consisting of 18 carbon atoms bearing 12 hydroxy groups in a continuous hydrogen-bonded chain, is built up by alternating degenerate conformations of alternating alkane-1,2-diol and 1,3-diol motifs. Geometries, proton nuclear magnetic resonance shifts and interaction energies for the dodecahydroxycyclo-octadecane and selected fragments ar...
