Materials Literature
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Paclitaxel, an antimicrotubular agent used in the treatment of ovarian and breast cancer, was encapsulated in nanoparticles of poly(DL-lactide-co-glycolide) and poly(ε-caprolactone) polymers using the double emulsion-solvent evaporation technique. The morphology, size distribution, drug encapsulation efficiency, therm…
Flexibility studies of macromolecules modeled as mechanical frameworks rely on computationally expensive, yet numerically imprecise simulations. Much faster approaches for degree-of-freedom counting and rigid component calculations are known for finite structures characterized by theorems of Maxwell-Laman type, but su…
The raw ionic solvation free energies calculated on the basis of atomistic (explicit-solvent) simulations are extremely sensitive to the boundary conditions and treatment of electrostatic interactions used during these simulations. However, as shown recently [Kastenholz, M. A.; Hünenberger, P. H. J. Chem. Phys.2006, 1…
A state-of-the-art review of experimental and analytical studies on fire-induced spalling in concrete structures is presented. The limitations in current code provisions related to spalling are discussed. A hydrothermal-based spalling model is applied to undertake parametric studies to investigate the effect of critic…
The luminescence spectra of Eu(3+) doped in a series of double perovskite lattices Ba(2)LnMO(6) (Ln = Y, Gd; M = Nb, Ta) have been recorded at room temperature and 10 K. Together with FT-IR and FT-Raman spectra and aided by DFT vibrational energy calculations, assignments have been made for the crystal field levels of…
Highly crystalline magnesium hydroxide (Mg(OH) 2 ) was obtained by sol–gel process using magnesium nitrate (Mg(NO 3 ) 2 ) with ammonium hydroxide (NH 4 OH) in a hydrophilic ionic liquid, 1-butyl-3-methylimidazolium chloride ([Bmim]Cl) as a medium. Crystallite size of Mg(OH) 2 obtained in [Bmim]Cl was larger than that…
A one-step synthesis of a curcumin-derived hydrogel (curcumin content of 25-75 mol %) is reported. Curcumin is incorporated into the hydrogel backbone and cross-linked through biodegradable carbonate linkages. Curcumin as a part of the polymer backbone is protected from oxidation and degradation, while hydrogel hydrol…
MOTIVATION: Electrostatic calculations are an important tool for deciphering many functional mechanisms in proteins. Generalized Born (GB) models offer a fast and convenient computational approximation over other implicit solvent-based electrostatic models. Here we present a novel GB-based web server, using the progra…
Manufactured nanoparticles (MNP) represent a growth area in industry where their interesting and useful properties bestow advantage over conventional particles for many purposes. This review specifically addresses the potential for lung cancer in those who might be exposed to airborne MNP. There is no strong evidence…
A strategy for gold nanoparticle (AuNP) assembly driven by a dynamic DNA-fueled molecular machine is revealed here. In this machine, the aggregation of DNA-functionalized AuNPs is regulated by a series of toehold-mediated strand displacement reactions of DNA. The aggregation rate of the AuNPs can be regulated by contr…
The innate immune system is the first line of defense against microbial invasion and involves the recognition of pathogen-associated molecular patterns (PAMPs) by pattern recognition receptors on the surface of phagocytic cells. The immune system also responds to tissue damage, a process that is triggered by so-called…
We describe here the development of multifunctional nanocarriers, based on amine-functionalized biodegradable polyacrylamide nanoparticles (NPs), for cancer theranostics, including active tumor targeting, fluorescence imaging, and photodynamic therapy. The structural design involves adding primary amino groups and bio…
An ideal technique for observing nanoscale assembly would provide atomic-resolution images of both the products and the reactants in real time. Using a transmission electron microscope we image in situ the electrochemical deposition of lead from an aqueous solution of lead(II) nitrate. Both the lead deposits and the l…
The synthesis and anion binding properties of a new family of fluorescent halogen bonding (XB) macrocyclic halo-imidazolium receptors are described. The receptors contain chloro-, bromo-, and iodo-imidazolium motifs incorporated into a cyclic structure using naphthalene spacer groups. The large size of the iodine atom…
The controlled placement of gold nanoparticles (AuNPs) in poly(styrene- b -isoprene- b -styrene) [SIS] triblock copolymer thin films was achieved by tuning the surface chemistry of the AuNPs. Facile thiol ligand exchanges permitted quick and thorough exploration of the surface chemistry effects on AuNP segregation beh…
The thermal decomposition reactions of CH 3 CH 2 C(CH 3 ) 2 COOAg (1) , (CH 3 ) 3 SiCH 2 COOAg ( 2 ), CF 3 COOAg ( 3 ), (CH 3 ) 3 CCOOAg ( 4 ), C 2 H 5 COOAg ( 5 ), C 3 F 7 COOAg ( 6 ), C 6 F 13 COOAg ( 7 ) and (CF 2 ) 3 (COOAg) 2 ( 8 ) were studied in N 2 atmosphere using thermogravimetry (TG), derivative thermogravi…
We demonstrate a unique capability in partially oxidizing the oligoaniline shell on gold nanoparticles to polyaniline. Because of the solubility difference, the unreacted inner shell section can be selectively dissolved by 2-propanol, giving yolk-shell nanostructures and, thus, making it possible for assessing the oxi…
CuxO-TiO2 (x = 1, 2) nanomaterials are synthesized on polycrystalline Ti substrates by a convenient chemical vapor deposition (CVD) approach, based on the initial growth of a CuxO matrix (at 400 and 550 °C for x = 1 and 2, respectively) and the subsequent overdispersion of TiO2 at 400 °C. All CVD processes are carried…
We investigated the structural stability of colloidal PbS nanocrystals (NCs) self-assembled into superlattice (SL) allotropes of either face-centered cubic (fcc) or body-centered cubic (bcc) symmetry. Small-angle X-ray scattering analysis showed that the NC packing density is higher in the bcc than in the fcc SL; this…
Lisinopril was used as the targeting moiety to prepare gold nanoparticle-based functional CT contrast agents. Pure lisinopril, thioctic acid-lisinopril conjugate, and reduced thioctic acid-lisinopril conjugate were used to obtain GNP-Lis, GNP-TA-Lis, and GNP-RTA-Lis, respectively, via ligand exchange reaction on citra…