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The protocol: Synchronized nature-based and other outdoor experiences in virtual reality for hospice patients and their caregivers.
Contemp Clin Trials Commun
August 2024
School of Nursing, Clemson University, 414 Edwards Hall, Epsilon Zeta Dr., Clemson, SC, 29634, USA.
Background: Nature-based and other outdoor virtual reality (VR) experiences in head-mounted displays (HMDs) offer powerful, non-pharmacological tools for hospice teams to help patients undergoing end-of-life (EOL) transitions. However, the psychological distress of the patient-caregiver dyad is interconnected and highlights the interdependence and responsiveness to distress as a unit. Hospice care services and healthcare need strategies to help patients and informal caregivers with EOL transitions.
View Article and Find Full Text PDFThe impact of Hubbard and van der Waals corrections on the DFT calculation of epsilon-zeta transition pressure in solid oxygen.
Phys Chem Chem Phys
September 2023
Institute for Solid State Physics, The University of Tokyo, Kashiwa-no-ha, Kashiwa, Chiba, 277-8581, Japan.
In this study, we aim to clarify the physics that governs the unique properties of the transition between epsilon and zeta phases in solid oxygen observed at 96 GPa by using density functional theory (DFT) calculations. We first conduct the calculation using various functionals, namely, LDA, PBE, BLYP, and TPSS. The results show that LDA and TPSS predict the epsilon-zeta transition pressure at 30 GPa, while PBE and BLYP show the transition at 40 GPa.
View Article and Find Full Text PDFStereoselective synthesis of backbone extended π-conjugated amino esters.
Org Biomol Chem
March 2023
Department of Chemistry, Indian Institute of Science Education and Research, Dr Homi Bhabha Road, Pashan, Pune-411 008, India.
Utilization of the Wittig reaction to synthesize conjugative multiple double bonds is rare. We examined the utility of the Wittig reaction to construct conjugative two and three carbon-carbon double bonds on the N-protected amino acid backbone. The ethyl esters of -Boc amino acids with multiple carbon-carbon double bonds in the backbone were isolated in excellent yields with exceptional -selectivity of the double bonds.
View Article and Find Full Text PDFDirected, Remote Dirhodium C(sp)-H Functionalization, Desaturative Annulation, and Desaturation.
J Am Chem Soc
October 2022
Division of Chemistry, Departments of Biochemistry and Pharmacology, University of Texas Southwestern Medical Center, Dallas, Texas 75390, United States.
Iminodirhodium reactive intermediates generated from -tosyloximes using Rh(esp) in CHCl at rt were exploited for an agile trichotomy of challenging transformations: (1) remote using an exceptionally broad diversity of inorganic and organic nucleophiles including several unconventional examples, for example, ethers and acyl silanes; (2) , a biomimetic 1,3-methylene C-C ring-closure with an overall loss of two hydrogens; and (3) directed desaturation for the acceptor-less, regioselective creation of γ,δ- or γ,δ,ε,ζ-olefins. Compared with typical iminyl transition-metal-mediated and 1,5-hydrogen atom-transfer (1,5-HAT) processes, iminodirhodium intermediates are largely underexplored, especially with respect to C(sp)-H centers and, yet, have the potential to be transformative by virtue of their substrate breadth, regiocontrol, and elusive reaction modality. A substrate scope includes benzylic, allylic, propargylic, tertiary, and α-alkyloxy centers.
View Article and Find Full Text PDFVariability of the DNA Backbone Geometry in DNA-Protein Complexes: Experimental Data Analysis.
J Chem Inf Model
September 2021
N.N. Semenov Federal Research Center for Chemical Physics, Russian Academy of Sciences, 4 Kosygin Street, Moscow 119991, Russia.
We have analyzed and compared the available experimental data (PDB) on the backbone geometry of the DNA in solution (NMR), in crystals (X-rays), and in complexes with proteins (X-rays and cryo-electron microscopy). The deoxyribose (pseudorotational angle τ) and ε/ζ (BI-BII transition in phosphates) flexibilities are practically the same in the four samples. The α/γ mobility is minimal in crystalline DNA: on the histograms, there is one canonical and one noncanonical / peak.
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