Filling the Void: A Low Cost, High-Yield Method to Addressing Incidental Findings in Trauma Patients

In this study we: Report the incidence of incidental findings in a suburban trauma center treating primarily blunt and elderly trauma Propose simple solutions to increase the rate of disclosure to patientshttps://jdc.jefferson.edu/patientsafetyposters/1070/thumbnail.jp

Unraveling the reaction mechanism, enantio and diastereoselectivities of selenium ylide promoted epoxidation

1001-1009The reaction between chiral selenium ylide and benzaldehyde leads to the formation of (2S,3S)-trans-epoxide with high enantio- and diastereoselectivity. Density functional theory and Hartree-Fock calculations using 6-31G(d) basis set have been performed to understand the reaction mechanism and factors associated with enantio- and diastereoselectivities. Conformation of chiral selenium ylide has been found to have a strong influence on the stability of the initial addition transition state between ylide and benzaldehyde. Calculated enantio- and diastereoselectivities from the energy differences between B3LYP/6-31G(d) addition TSs are in good agreement with the experimental data. The rate and diastereoselectivity are controlled by the <i style="mso-bidi-font-style: normal">cisoid-transoid rotational transition state. Analysis of transition state geometries clearly reveals that unfavorable eclipsing interaction between phenyl groups of the benzaldehyde and ylidic substituents mainly governs the energy differences between the enantio and diastereomeric transition states. The favourable reactivity is also explained through Fukui function calculations

Water-Soluble Mono- and Binuclear Ru(η⁶‑<i>p</i>‑cymene) Complexes Containing Indole Thiosemicarbazones: Synthesis, DFT Modeling, Biomolecular Interactions, and <i>In Vitro</i> Anticancer Activity through Apoptosis

Indole thiosemicarbazone ligands were prepared from indole-3-carboxaldehyde and <i>N</i>-(un)­substituted thiosemicarbazide. The Ru­(η⁶-<i>p</i>-cymene) complexes [Ru­(η⁶-<i>p</i>-cymene)­(HL1)­Cl]Cl (<b>1</b>) and [Ru­(η⁶-<i>p</i>-cymene)­(L2)]₂Cl₂ (<b>2*</b>) were exclusively synthesized from thiosemicarbazone (TSC) ligands HL1 and HL2, and [RuCl₂(<i>p-</i>cymene)]₂. The compounds were characterized by analytical and various spectroscopic (electronic, FT-IR, 1D/2D NMR, and mass) tools. The exact structures of the compounds (HL1, HL2, <b>1</b>, and <b>2*</b>) were confirmed by single-crystal X-ray diffraction technique. In complexes <b>1</b> and <b>2*</b>, the ligand coordinated in a bidentate neutral (<b>1</b>)/monobasic (<b>2*</b>) fashion to form a five-membered ring. The complexes showed a piano-stool geometry around the Ru ion. While <b>2*</b> existed as a dimer, <b>1</b> existed as a monomer, and this was well explained through free energy, bond parameter, and charge values computed at the B3LYP/SDD level. The intercalative binding mode of the complexes with calf thymus DNA (CT DNA) was revealed by spectroscopic and viscometric studies. The DNA (pUC19 and pBR322 DNA) cleavage ability of these complexes evaluated by an agarose gel electrophoresis method confirmed significant DNA cleavage activity. Further, the interaction of the complexes with bovine serum albumin (BSA) was investigated using spectroscopic methods, which disclosed that the complexes could bind strongly with BSA. A hemolysis study with human erythrocytes revealed blood biocompatibility of the complexes. The <i>in vitro</i> anticancer activity of the compounds (HL1, HL2, <b>1</b>, and <b>2*</b>) was screened against two cancer cell lines (A549 and HepG-2) and one normal cell line (L929). Interestingly, the binuclear complex <b>2*</b> showed superior activity with IC₅₀ = 11.5 μM, which was lower than that of cisplatin against the A549 cancer cell line. The activity of the same complex (IC₅₀ = 35.3 μM) was inferior to that of cisplatin in the HepG-2 cancer cell line. Further, the apoptosis mode of cell death in the cancer cell line was confirmed by using confocal microscopy and DNA fragmentation analysis