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Full-Text Articles in Physical Sciences and Mathematics

Inhibitors Of Bacterial N-Succinyl-L,L-Diaminopimelic Acid Desuccinylase (Dape) And Demonstration Of In Vitro Antimicrobial Activity, Danuta Gillner, Nicola Armoush, Richard C. Holz, Daniel P. Becker Nov 2009

Inhibitors Of Bacterial N-Succinyl-L,L-Diaminopimelic Acid Desuccinylase (Dape) And Demonstration Of In Vitro Antimicrobial Activity, Danuta Gillner, Nicola Armoush, Richard C. Holz, Daniel P. Becker

Chemistry: Faculty Publications and Other Works

The dapE-encoded N-succinyl-l,l-diaminopimelic acid desuccinylase (DapE) is a critical bacterial enzyme for the construction of the bacterial cell wall. A screen biased toward compounds containing zinc-binding groups (ZBG’s) including thiols, carboxylic acids, boronic acids, phosphonates and hydroxamates has delivered a number of micromolar inhibitors of DapE from Haemophilus influenzae, including the low micromolar inhibitor l-captopril (IC50 = 3.3 μM, Ki = 1.8 μM). In vitro antimicrobial activity was demonstrated for l-captopril against Escherichia coli.


A Thermodynamic And Kinetic Characterization Of The Solvent Dependence Of The Saddle-Crown Equilibrium Of Cyclotriveratrylene (Ctv) Oxime, David C. French, Marlon R. Lutz Jr., Chichi Lu, Matthias Zeller, Daniel Becker Jul 2009

A Thermodynamic And Kinetic Characterization Of The Solvent Dependence Of The Saddle-Crown Equilibrium Of Cyclotriveratrylene (Ctv) Oxime, David C. French, Marlon R. Lutz Jr., Chichi Lu, Matthias Zeller, Daniel Becker

Chemistry: Faculty Publications and Other Works

The equilibration of the saddle conformer of cyclotriveratrylene (CTV) oxime to the corresponding crown conformer was followed by (1)H NMR in five separate solvents, and kinetic and thermodynamic parameters were determined from the NMR data. The oxime saddle conformers of 3 are favored in CDCl(3) (K(eq) = [saddle]/[crown] = 1.4), whereas the CTV oxime crown conformer 3a is favored in three more polar solvents studied (DMSO-d(6), acetonitrile-d(3), acetone-d(6)). Surprisingly, the CTV oxime crown conformer is also slightly favored in the nonpolar solvent 1,4-dioxane-d(8). These behaviors are discussed in terms of hydrogen bonding, entropy, and possible host-guest considerations. An X-ray crystal …


Universal Scaling Of Nonequilibrium Transport In The Kondo Regime Of Single Molecule Devices, G D. Scott, Z K. Keane, Jacob W. Ciszek, J M. Tour, D Natelson Apr 2009

Universal Scaling Of Nonequilibrium Transport In The Kondo Regime Of Single Molecule Devices, G D. Scott, Z K. Keane, Jacob W. Ciszek, J M. Tour, D Natelson

Chemistry: Faculty Publications and Other Works

Scaling laws and universality are often associated with systems exhibiting emergent phenomena possessing a characteristic energy scale. We report nonequilibrium transport measurements on two different types of single molecule transistor devices in the Kondo regime. The conductance at low bias and temperature adheres to a scaling function characterized by two parameters. This result, analogous to that reported recently in semiconductor dots with Kondo temperatures two orders of magnitude lower, demonstrates the universality of this scaling form. We compare the extracted values of the scaling coefficients to previous experimental and theoretical results.


An Aza-Cyclophane Stacked In Racemic Columnar Assemblies: Whole-Molecule Disorder In A Two-Dimensional Solid Solution, M Zeller Jan 2009

An Aza-Cyclophane Stacked In Racemic Columnar Assemblies: Whole-Molecule Disorder In A Two-Dimensional Solid Solution, M Zeller

Chemistry: Faculty Publications and Other Works

The oxime derivative of [1.1.1]cyclophane cyclotriveratrylene (CTV) was ring expanded utilizing a Beckmann rearrangement to provide a ten-membered N-acetyl macrocyclic amide that crystallizes as a chloroform monosolvate in columnar assemblies manifesting an unusual disorder within the crystal. Columns made up of this structure consist of infinite columnar assemblies of alternating D and L enantiomers and therefore necessarily are made up of a racemate, yet the chiralities of individual molecules in adjacent columns are independent of one another, leading to the overall formation of a two-dimensional solid solution. The random arrangement of the columns within the structure leads to the …