Results 91 to 100 of about 598,727 (266)

Crystal structure and Hirshfield surface analysis of 4-phenyl-3-(thiophen-3-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione

Acta Crystallographica Section E: Crystallographic Communications, 2018
In the title compound, C13H11N3S2, the phenyl ring is twisted from the 1,2,4-triazole plane by 63.35 (9)° and by 47.35 (9)° from the thiophene plane.
Trung Vu Quoc, Linh Nguyen Ngoc, Dai Do Ba, Thang Pham Chien, Hung Nguyen Huy, Luc Van Meervelt   +5 more
doaj   +1 more source

Aquaporin‐3 and aquaporin‐5 impact the development of pancreatic ductal adenocarcinoma spheroids

FEBS Open Bio, EarlyView.
Schematic representation of the role of aquaporin‐3 (AQP3) and aquaporin‐5 (AQP5) in pancreatic ductal adenocarcinoma (PDAC). Both proteins are upregulated in PDAC and are associated with tumor progression and metastatic potential. Silencing AQP3 or AQP5 in PDAC spheroids results in decreased diameter, area, and overall growth, underscoring their key ...
Catarina Pimpão, Diogo M. Engrácia, Graça Soveral, Filipa Mendes   +3 more
wiley   +1 more source

Crystal structure and Hirshfeld surface analysis of 1-[(1-butyl-1H-1,2,3-triazol-4-yl)methyl]-3-methylquinoxalin-2(1H)-one

Acta Crystallographica Section E: Crystallographic Communications, 2018
The title compound, C16H19N5O, is built up from a planar quinoxalinone ring system linked through a methylene bridge to a 1,2,3-triazole ring, which in turn carries an n-butyl substituent.
Nadeem Abad, Youssef Ramli, Tuncer Hökelek, Nada Kheira Sebbar, Joel T. Mague, El Mokhtar Essassi   +5 more
doaj   +1 more source

Cl(−) Exchange SN2 Reaction inside Carbon Nanotubes: C–H···π and Cl···π Interactions Govern the Course of the Reaction [PDF]

, 2014
The carbon nanotube (CNT)-confined chloride exchange SN2 reaction for methyl chloride has been examined using either a full quantum mechanical (QM) DFT approach based on the M06-2X functional or a hybrid approach where a (6,6) CNT is satisfactorily ...
P. Giacinto, ZERBETTO, FRANCESCO, CALVARESI, MATTEO, BOTTONI, ANDREA   +3 more
core   +1 more source

Malformin A1–mediated cytotoxicity in ovarian cancer cells occurs through pyroptosis and autophagy

FEBS Open Bio, EarlyView.
This study investigated the effects of the natural compound Malformin A1 (MA1) on the cytoskeleton that regulates cell proliferation and migration. Disruption of the cytoskeleton can impair these processes and promote cancer cell death. MA1 disrupted cytoskeletal organization, induced DNA damage, inflammation, activated autophagy, and pyroptosis ...
Nada Abdullah Hassan, Ikram A. Burney, Shika Hanif Malgundkar, Siva Ramamoorthy, Ressin Varghese, Mohamed A. Al‐Kindi, Hamad Al Riyami, Shadia Al Bahlani, Sergey Dobretsov, Syed Imran Hassan, Benjamin K. Tsang, Yahya Tamimi   +11 more
wiley   +1 more source

Miniature β-Hairpin Mimetic by Intramolecular Hydrogen Bond and C-H···π Interactions. [PDF]

ACS Omega, 2022
Nandi SK, Sarkar R, Jaiswar A, Roy S, Haldar D.   +4 more
europepmc   +1 more source

Different N—H...π interactions in two indole derivatives [PDF]

, 2016
We describe the syntheses and crystal structures of two indole derivatives, namely 6-isopropyl-3-(2-nitro-1-phenylethyl)-1H-indole, C19H20N2O2, (I), and 2-(4-methoxyphenyl)-3-(2-nitro-1-phenylethyl)-1H-indole, C23H20N2O3, (II); the latter crystallizes ...
Wardell, James L., Storey, John M. D., Harrison, William T. A., John M. D. Storey, William T. A. Harrison, Jamie R. Kerr, Laurent Trembleau, Trembleau, Laurent, James L. Wardell, Kerr, Jamie R.   +9 more
core   +1 more source

Value of MRI Outcomes for Preventive and Early‐Stage Trials in Spinocerebellar Ataxias 1 and 3

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objective To examine the value of MRI outcomes as endpoints for preventive and early‐stage trials of two polyglutamine spinocerebellar ataxias (SCAs). Methods A cohort of 100 participants (23 SCA1, 63 SCA3, median Scale for the Assessment and Rating of Ataxia (SARA) score = 5, 42% preataxic, and 14 gene‐negative controls) was scanned at 3T up ...
Thiago J. R. Rezende, Emilien Petit, Young Woo Park, Sophie Tezenas du Montcel, James M. Joers, Jonathan M. DuBois, H. Moore Arnold, Michal Povazan, Ipek Özdemir, Guita Banan, Romain Valabregue, Philipp Ehses, Jennifer Faber, Chiadi U. Onyike, Peter B. Barker, Jeremy D. Schmahmann, Eva‐Maria Ratai, Sub H. Subramony, Thomas H. Mareci, Khalaf O. Bushara, Henry Paulson, Thomas Klockgether, Alexandra Durr, Tetsuo Ashizawa, Christophe Lenglet, Gülin Öz, READISCA Investigators   +26 more
wiley   +1 more source

Fullerene Complexation in a Hydrogen-Bonded Porphyrin Receptor via Induced-Fit: Cooperative Action of Tautomerization and C-H···π Interactions. [PDF]

J Am Chem Soc, 2023
Jozeliu Naitė A, Neniškis A, Bertran A, Bowen AM, Di Valentin M, Raišys S, Baronas P, Kazlauskas K, Vilčiauskas L, Orentas E.   +9 more
europepmc   +1 more source

Crystal structure and Hirshfeld surface analysis of 4-methyl-N-[2-(5-methylfuran-2-yl)phenyl]-N-[(5-phenylfuran-2-yl)methyl]benzenesulfonamide

Acta Crystallographica Section E: Crystallographic Communications
In the title compound, C29H25NO4S, the molecular conformation is stable with intramolecular C—H...O and C—H...N interactions being observed. In the crystal, molecules are linked by C—H...O interactions, forming layers parallel to the (100) plane.
Selbi Annadurdyyeva, Anastasia E. Levina, Victor N. Khrustalev, Roya Z. Nazarova, Khudayar I. Hasanov, Nurlana D. Sadikhova, Mehmet Akkurt, Gizachew Mulugeta Manahelohe   +7 more
doaj   +1 more source