The title compound [systematic name: 4-amino-5-fluoro-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine], C(11)H(13)FN(4)O(4), exhibits an anti glycosylic bond conformation, with a chi torsion angle of -124.7 (3) degrees. The furanose moiety shows a twisted C2'-endo sugar pucker (S-type), with P = 169.8 (3) degrees and tau(m) = 38.7 (2) degrees. The orientation of the exocyclic C4'-C5' bond is +sc (gauche, gauche), with a gamma torsion angle of 59.3 (3) degrees. The nucleobases are stacked head-to-head. The extended crystal structure is a three-dimensional hydrogen-bond network involving O-H...O, O-H...N and N-H...O hydrogen bonds. The crystal structure of the title nucleoside demonstrates that the C-C bonds nearest the F atom of the pyrrole system are significantly shortened by the electronegative halogen atom.
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http://dx.doi.org/10.1107/S0108270108010160 | DOI Listing |
Materials (Basel)
January 2025
School of Automobile and Traffic Engineering, Wuhan University of Science and Technology, Wuhan 430081, China.
The Diamond lattice cylindrical shell (Diamond LCS) was proposed by a mapping approach based on the triply periodic minimal surfaces (TPMS). The finite element models were built and their accuracy was verified by experimental results. Parameter studies were carried out to investigate the effect of geometric and loading parameters on the bending properties of the Diamond LCSs by the finite element model.
View Article and Find Full Text PDFMicromachines (Basel)
December 2024
Institute of Nanostructure Technologies and Analytics (INA), Technological Electronics Department and Center for Interdisciplinary Nanostructure Science and Technology (CINSaT), University of Kassel, Heinrich-Plett-Straße 40, 34132 Kassel, Germany.
Millions of electrostatically actuatable micromirror arrays have been arranged in between windowpanes in inert gas environments, enabling active daylighting in buildings for illumination and climatization. MEMS smart windows can reduce energy consumption significantly. However, to allow personalized light steering for arbitrary user positions with high flexibility, two main limitations must be overcome: first, limited tuning angle spans by MEMS pull-in effects; and second, the lack of a second orthogonal tuning angle, which is highly required.
View Article and Find Full Text PDFBMC Oral Health
January 2025
Department of Conservative Dentistry, School of Dentistry, Dental Research Institute, Dental and Life Science Institute, Pusan National University, Yangsan, Korea.
Background: This study compared the torsional resistance, bending stiffness, and cyclic fatigue resistances of different heat-treated NiTi files for minimally invasive instrumentation.
Methods: TruNatomy (TN) and EndoRoad (ER) file systems were compared with ProTaper Gold (PG). Torsional load, distortion angle, and bending stiffness were assessed using a custom device AEndoS, and toughness was calculated using the torsional data.
Zhongguo Gu Shang
January 2025
Ningbo Beilun People's Hospital, Ningbo 315800, Zhejiang, China.
Objective: To investigate the effects of bone density, plate bending degree and proximal screw type on the stress fracture of clavicle hook.
Methods: Three sows weighing between 45 and 50 kg were selected, from which a total of 40 rivs were collected. The 15 ribs of sows were divided into 3 groups according to bone density and bone hardness with 5 rivs in each group.
J Chem Theory Comput
January 2025
Institute of Physical Chemistry, RWTH Aachen University, Aachen 52074, Germany.
Exploring the conformational space of molecules remains a challenge of fundamental importance to quantum chemistry: identification of relevant conformers at ambient conditions enables predictive simulations of almost arbitrary properties. Here, we propose a novel approach, called TTConf, to enable conformational sampling of large organic molecules where the combinatorial explosion of possible conformers prevents the use of a brute-force systematic conformer search. We employ tensor trains as a highly efficient dimensionality reduction algorithm, effectively reducing the scaling from exponential to polynomial.
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