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Beyond the Dailey-Townes Model: Chemical Information from the Electric Field Gradient.
J Phys Chem A
January 2025
Laboratoire de Chimie et Physique Quantique, UMR 5626 CNRS - Université Toulouse III-Paul Sabatier, 118 Route de Narbonne, F-31062 Toulouse, France.
In this work, we reexamine the Dailey-Townes model by systematically investigating the electric field gradient (EFG) in various chlorine compounds, dihalogens, and the uranyl ion (). Through the use of relativistic molecular calculations and projection analysis, we decompose the EFG expectation value in terms of atomic reference orbitals. We show how the Dailey-Townes model can be seen as an approximation to our projection analysis.
View Article and Find Full Text PDFPoly Lactic Co-glycolic Acid d-α-tocopheryl Polyethylene Glycol 1000 Succinate Fabricated Polyethylene Glycol Hybrid Nanoparticles of Imatinib Mesylate for the Treatment of Glioblastoma Multiforme.
Curr Med Chem
January 2025
Shree S. K. Patel College of Pharmaceutical Education and Research, Ganpat University, Kherva, 384012, India.
Aims: This study aimed to develop Imatinib Mesylate (IMT)-loaded Poly Lactic-co-Glycolic Acid (PLGA)-D-α-tocopheryl polyethylene glycol succinate (TPGS)- Polyethylene glycol (PEG) hybrid nanoparticles (CSLHNPs) with optimized physicochemical properties for targeted delivery to glioblastoma multiforme.
Background: Glioblastoma multiforme (GBM) is the most destructive type of brain tumor with several complications. Currently, most treatments for drug delivery for this disease face challenges due to the poor blood-brain barrier (BBB) and lack of site-specific delivery.
MXene-based SERS spectroscopic analysis of exosomes for lung cancer differential diagnosis with deep learning.
Biomed Opt Express
January 2025
Key Laboratory of Optical Technology and Instrument for Medicine, Ministry of Education, University of Shanghai for Science and Technology, 200093 Shanghai, China.
Lung cancer with heterogeneity has a high mortality rate due to its late-stage detection and chemotherapy resistance. Liquid biopsy that discriminates tumor-related biomarkers in body fluids has emerged as an attractive technique for early-stage and accurate diagnosis. Exosomes, carrying membrane and cytosolic information from original tumor cells, impart themselves endogeneity and heterogeneity, which offer extensive and unique advantages in the field of liquid biopsy for cancer differential diagnosis.
View Article and Find Full Text PDFEncapsulation of astilbin in zein nanoparticles with fructo-oligosaccharides and caseinate as costabilizers: Formation, stability, bioavailability, and antioxidant capacity.
Int J Biol Macromol
January 2025
National Engineering Institute for the Research and Development of Endangered Medicinal Resources in Southwest China, Guangxi Botanical Garden of Medicinal Plants, Nanning 530023, China; Guangxi Key Laboratory of High-Quality Formation and Utilization of Dao-Di Herbs, National Center for TCM Inheritance and Innovation, Guangxi Botanical Garden of Medicinal Plants, Nanning 530023, China. Electronic address:
Zein-based nanoparticles (NPs) have attracted considerable attention as potential delivery systems for bioactive compounds. However, their application has been limited by poor stability and redispersibility. In this study, we addressed these challenges by fabricating zein nanocarriers using branching structural fructo-oligosaccharides (P-FOS) and sodium caseinate (NaCas) as costabilizers.
View Article and Find Full Text PDFExploring the Activation of Atomically Precise [Pt(CO)(PPh)] Clusters: Mechanism and Energetics in Gas Phase and on an Inert Surface.
ACS Nano
January 2025
Institute of Physical Chemistry, Karlsruhe Institute of Technology, Kaiserstraße 12, Karlsruhe 76131, Germany.
Atomically precise clusters such as [Pt(CO)(PPh)] ( = 1,2) (PPh is triphenylphosphine) are known as precursors for making oxidation catalysts. However, the changes occurring to the cluster upon thermal activation during the formation of the active catalyst are poorly understood. We have used a combination of hybrid mass spectrometry and surface science to map the thermal decomposition of [Pt(CO)(PPh)](NO).
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