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Molecular Balances as Physical Organic Chemistry Tools to Quantify Noncovalent Interactions.
Chemistry
January 2025
Institute of Chemical Research of Catalonia: Institut Catala d'Investigacio Quimica, -, Av. Països Catalans 16, 43007, Tarragona, SPAIN.
Noncovalent interactions are present in numerous synthetic and biological systems, playing an essential role in vital processes for life such as stabilization of proteins' structures or reversible binding in substrate-receptor complexes. Their study is relevant, but it presents challenges due to its inherent weak nature. In this context, molecular balances (MBs) are one of the most efficient physical organic chemistry tools to quantify noncovalent interactions, bringing beneficial knowledge regarding their nature and strength.
View Article and Find Full Text PDFInfluence of CTAB Reverse Micellar Confinement on the Tetrahedral Structure of Liquid Water.
J Phys Chem B
January 2025
Department of Computational Sciences, School of Basic Sciences, Central University of Punjab, Bathinda 151401, India.
The effect of confinement on the tetrahedral ordering of liquid water plays a vital role in controlling their microscopic structure and dynamics as well as their spectroscopic properties. In this article, we have performed the classical molecular dynamics simulations of four different CTAB/water/chloroform reverse micelles with varied water content to study how the tetrahedral ordering of nanoscale water inside reverse micellar confinement influences the microscopic dynamics and the structural relaxation of water···water hydrogen bonds and its impact on the low-frequency intermolecular vibrational bands. We have noticed from the results obtained from simulated trajectories the lowering trends of tetrahedral ordering of water pools in reverse micellar confinements as we move from bulk to confined and strictly confined environments.
View Article and Find Full Text PDFComplete response of gallbladder cancer treated with gemcitabine and cisplatin chemotherapy combined with durvalumab: A case report and review of literature.
World J Gastrointest Oncol
January 2025
Department of Hepatobiliary Surgery, The First Affiliated Hospital of Chongqing Medical University, Chongqing 400016, China.
Background: Gallbladder cancer (GBC) is the most common and aggressive subtype of biliary tract cancer (BTC) and has a poor prognosis. A newly developed regimen of gemcitabine, cisplatin, and durvalumab shows promise for the treatment of advanced BTC. However, the efficacy of this treatment for GBC remains unclear.
View Article and Find Full Text PDFA comparative analysis of anatomic total shoulder arthroplasty versus reverse shoulder arthroplasty for posterior glenoid wear patterns.
J Clin Orthop Trauma
February 2025
University of Tennessee Health Science Center ¬ Campbell Clinic Department of Orthopaedic Surgery and Biomedical Engineering, 1400 S. Germantown Pkwy, Germantown, TN, 38138, USA.
Introduction: Reverse shoulder arthroplasty (RSA) and anatomic total shoulder arthroplasty (TSA) are well-known methods of treating glenohumeral arthritis, which often leads to posterior wear of the glenoid. This study compared minimum two-year outcome measures in patients treated with RSA and TSA for Walch B2 and B3 glenoids.
Methods: Thirty-eight shoulders underwent TSA and 40 shoulders underwent RSA by two fellowship-trained shoulder surgeons at a tertiary referral center.
Macrophage-mimicking nanotherapy for attenuation of acute pancreatitis.
Mater Today Bio
February 2025
Department of Hepatobiliary Surgery, The First Affiliated Hospital of Wenzhou Medical University, Wenzhou, Zhejiang, 325035, China.
Acute pancreatitis (AP) is a highly fatal pancreatic inflammation. In recent years, synthetic nanoparticles have been extensively developed as drug carriers to address the challenges of systemic adverse reactions and lack of specificity in drug delivery. However, systemically administered nanoparticle therapy is rapidly cleared from circulation by the mononuclear phagocyte system (MPS), leading to suboptimal drug concentrations in inflamed tissues and suboptimal pharmacokinetics.
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