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open access

The Melatonin Conformer Space: Benchmark and Assessment of Wave Function and DFT Methods for a Paradigmatic Biological and Pharmacological Molecule

Description: This article describes reference quality conformational energies for the 52 unique conformers of melatonin by means of explicitly correlated ab initio methods as well as the ccCA composite method.
Date: February 4, 2013
Creator: Fogueri, Uma R.; Kozuch, Sebastian; Karton, Amir & Martin, Jan M. L.
open access

Validation of a Non-Targeted LC-MS Approach for Identifying Ancient Proteins: Method Development on Bone to Improve Artifact Residue Analysis

Description: This article discusses validation of the potential of an extraction and characterization approach via application to ancient bone proteins, as part of a larger method-development project for innovation and improvement of liquid chromatography - mass spectrometry analysis of protein residues from cooking pottery.
Date: September 4, 2015
Creator: Barker, Andrew; Dombrosky, Jonathan; Chaput, Dale; Venables, Barney J.; Wolverton, Steven J. & Stevens, Stanley M.
open access

A Dual-Modality System for Both Multi-Color Ultrasound-Switchable Fluorescence and Ultrasound Imaging

Description: This article discusses the development of a dual-modality imaging system by combining recently developed ultrasound-switchable fluorescence (USF) imaging technology with the conventional ultrasound (US) B-mode imaging.
Date: February 4, 2017
Creator: Kandukuri, Jayanth; Yu, Shuai; Cheng, Bingbing; Bandi, Venugopal; D'Souza, Francis; Nguyen, Kytai T. et al.
open access

Reactive oxygen species, abiotic stress and stress combination

Description: This article reviews recent studies on the role of reactive oxygen species (ROS) in abiotic stress in plants, and propose that different abiotic stresses, such as drought, heat, salinity and high light, result in different ROS signatures that determine the specificity of the acclimation response and help tailor it to the exact stress the plant encounters.
Date: August 4, 2016
Creator: Choudhury, Feroza K.; Rivero, Rosa M. & Blumwald, Eduardo
open access

Crystal structure of (3E,5E)-3,5-bis[4-(diethylazaniumyl)benzylidene]-1-methyl-4-oxopiperidin-1-ium trichloride dihydrate: a potential biophotonic material

Description: This article describes the crystal structure of the title compound, and examines application as an agent for locating cancer cells with two-photon excited fluorescence as as a potential agent for a photodynamic treatment of cancer. This article includes supporting information with computing details of the study.
Date: November 4, 2015
Creator: Nesterov, Volodymyr V.; Zakharov, Lev N.; Nesterov, Vladimir N. & Shulaev, Vladimir
open access

Tissue biodistribution of intravenously administrated titanium dioxide nanoparticles revealed blood-brain barrier clearance and brain inflammation in rat

Description: This article reports time-related responses from single-dose intravenous administration of 1 mg/kg Ti₂ NPs to rats, with particular emphasis on titanium quantification in the brain.
Date: September 4, 2015
Creator: Disdier, Clémence; Devoy, Jérôme; Cosnefroy, Anne; Chalansonnet, Monique; Herlin-Boime, Nathalie; Brun, Emilie et al.
open access

IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures-Revised and Updated. Part 3. Neat Organic Solvents

Description: Article on the solubility of polycyclic aromatic hydrocarbons in pure and organic solvent mixtures. This work updates volumes 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in neat organic solvents.
Date: March 4, 2013
Creator: Acree, William E. (William Eugene)
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