The Raman and Fourier transform infrared (FTIR) spectra of p-, m- and o-nitrobenzamides, p-, m- and o-nitrobenzaldehydes and p-, m- and o-nitrotoluenes were recorded. Raman polarisation measurements were made for the liquid samples. A normal coordinate analysis was carried out for both in-plane and out-of-plane vibrations of these molecules using 111-parameter modified valence force field. The force constants were refined using 316 frequencies of nine molecules in an overlay least-square technique. The reliability of the force constants was tested by making a zero-order calculation for nine related molecules. Unambiguous vibrational assignments of all the fundamentals were made by using the potential energy distributions and eigen vectors.
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http://dx.doi.org/10.1016/s1386-1425(03)00227-0 | DOI Listing |
Circ Heart Fail
January 2025
Bruce Rapport Faculty of Medicine, Technion-Israel Institute of Technology, Haifa, Israel (I.R.H., N.K., C.B., O.C.).
Background: The therapeutic armamentarium for heart failure with preserved ejection fraction (HFpEF) remains notably constrained. A factor contributing to this problem could be the scarcity of in vitro models for HFpEF, which hinders progress in developing new therapeutic strategies. Here, we aimed at developing a novel, comorbidity-inspired, human, in vitro model for HFpEF.
View Article and Find Full Text PDFJ Phys Chem Lett
January 2025
Astronomy Department, University of Maryland, College Park, Maryland 20742, United States.
The CN stretch frequency of neutral, gas-phase 9-cyanoanthracene is 2207 cm (4.531 μm) based on high-resolution infrared absorption experiments coupled with a new hybrid anharmonic quantum chemical methodology. A broad band (full-width at half-maximum of 47 cm) is observed and assigned to multiple transitions, including the CN stretch fundamental and various combination bands that gather intensity from strong anharmonic coupling with the bright CN stretch.
View Article and Find Full Text PDFChemphyschem
January 2025
Southern Methodist University, Chemistry, 3251 Daniel Ave, 75275, Dallas, UNITED STATES.
We analyzed the intrinsic strength of distal and proximal FeN bonds and the stiffness of the axial NFeN bond angle in a series of cytochrome b5 proteins isolated from various species, including bacteria, animals, and humans. Ferric and ferrous oxidation states were considered. As assess- ment tool, we employed local vibrational stretching force constants ka(FeN) and bending force constants ka(NFeN) derived from our local mode theory.
View Article and Find Full Text PDFJ Gen Physiol
March 2025
Department of Animal, Veterinary, and Food Sciences, College of Agricultural and Life Sciences, University of Idaho, Moscow, ID, USA.
The mechanisms underlying cooperative activation and inactivation of myocardial force extend from local, near-neighbor interactions involving troponin-tropomyosin regulatory units (RU) and crossbridges (XB) to more global interactions across the sarcomere. To better understand these mechanisms in the hearts of small and large mammals, we undertook a simplified mathematical approach to assess the contribution of three types of near-neighbor cooperative interactions, i.e.
View Article and Find Full Text PDFAdv Mater
January 2025
Department of Electrical and Computer Engineering, and Department of Physics and Astronomy, University of California, Los Angeles, CA, 90095, USA.
In the burgeoning field of spintronics, antiferromagnetic materials (AFMs) are attracting significant attention for their potential to enable ultra-fast, energy-efficient devices. Thin films of AFMs are particularly promising for practical applications due to their compatibility with spin-orbit torque (SOT) mechanisms. However, studying these thin films presents challenges, primarily due to the weak signals they produce and the rapid dynamics driven by SOT, that are too fast for conventional electric transport or microwave techniques to capture.
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