Dimers of inclusion complexes were formed from a new cryptand and viologens (paraquats) driven by dipole-dipole and face-to-face pi-stacking interactions as shown by mass spectrometric characterization and X-ray analysis.
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http://dx.doi.org/10.1039/b411234b | DOI Listing |
J Phys Chem A
January 2025
Department of Chemistry, University of Louisville, Louisville, Kentucky 40292, United States.
Triplet-triplet energy transfer (TEnT) is of particular interest in various photochemical, photobiological, and energy science processes. It involves the exchange of spin and energy of electrons between two molecular fragments. Here, quasi-diabatic self-consistent field solutions were used to obtain the diabatic states involved in TEnT.
View Article and Find Full Text PDFJ Inflamm Res
January 2025
Department of Cardiothoracic Surgery, Taizhou Hospital of Zhejiang Province Affiliated to Wenzhou Medical University, Taizhou, Zhejiang, People's Republic of China.
Objective: To investigate the prognostic value of the preoperative lymphocyte-to-monocyte ratio (LMR) for postoperative adverse events in patients with acute type A aortic dissection (ATAAD).
Methods: A retrospective study of the clinical data collected in our hospital between March 2015 and January 2024 was performed on 290 patients diagnosed with ATAAD who underwent surgical treatment and met the inclusion criteria for patient selection. The included patients were divided into a low LMR group (<1.
Neurol Genet
February 2025
Department of Medical Genetics, Faculty of Medicine and Dentistry, University of Alberta, Edmonton, Canada.
Background And Objectives: Neonatal encephalopathy (NE) is characterized by an abnormal level of consciousness with or without seizures in the neonatal period. It affects 1-6/1,000 live term newborns. We applied genome sequencing (GS) in term newborns with NE to investigate the underlying genetic causes.
View Article and Find Full Text PDFProtein Expr Purif
January 2025
Department of Chemistry, Indian Institute of Technology, Delhi, India. Electronic address:
The aim of this study was to purify BMP-2 in an easy and time-efficient way. We have developed a new method in which BMP-2 is produced through leaky expression in E. coli BL21 (DE3) cells as inclusion bodies, eliminating the need for inducer Isopropyl β-D-1-thiogalactopyranoside (IPTG).
View Article and Find Full Text PDFJ Phys Chem B
January 2025
Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830, United States.
Molten salts are promising candidates in numerous clean energy applications, where knowledge of thermophysical properties and vapor pressure across their operating temperature ranges is critical for safe operations. Due to challenges in evaluating these properties using experimental methods, fast and scalable molecular simulations are essential to complement the experimental data. In this study, we developed machine learning interatomic potentials (MLIP) to study the AlCl molten salt across varied thermodynamic conditions ( = 473-613 K and = 2.
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