Materials Literature
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Photoinduced electron transfer in two molecular triads comprised of a triarylamine donor, a d(6) metal diimine photosensitizer, and a 9,10-anthraquinone acceptor was investigated with particular focus on the influence of hydrogen-bonding solvents on the electron transfer kinetics. Photoexcitation of the ruthenium(II)…
Domain walls (DWs) substantially influence a large number of applications involving ferroelectric materials due to their limited mobility when shifted during polarization switching. The discovery of greatly enhanced conduction at BiFeO(3) DWs has highlighted yet another role of DWs as a local material state with uniqu…
Dendrimers and regular hyperbranched polymers are two classic families of macromolecules, which can be modeled by Cayley trees and Vicsek fractals, respectively. In this paper, we study the trapping problem in Cayley trees and Vicsek fractals with different underlying geometries, focusing on a particular case with a p…
Abstract The aim of the paper is to present the changes in the surface film composition on AISI 316L stainless steel (SS) after electropolishing (EP) and magnetoelectropolishing (MEP) in a broad range of the process conditions. The X‐ray photoelectron spectroscopy surface analyses were performed to reveal the effect o…
Pyridoxal 5'-phosphate (PLP) is a cofactor for dozens of B(6) requiring enzymes. PLP reacts with apo-B(6) enzymes by forming an aldimine linkage with the ε-amino group of an active site lysine residue, thus yielding the catalytically active holo-B(6) enzyme. During protein turnover, the PLP is salvaged by first conver…
In this work, we will discuss the optical properties of NiO nanoparticles that we have investigated recently by photoluminescence (PL) spectroscopy. In particular, we will show the blue-shifts of PL, originating from the electron–hole recombination of the self-trapped exciton (STE), observed in smaller-sized NiO nanop…
Gelling and encapsulation: Oleanolic acid (1) is a nanosized triterpenoid that self-assembles in different solvents to form nanosized vesicles. The vesicles formed can encapsulate fluorophores, including the well-known anitcancer drug doxorubicin, and 1 can also gelate many of the solvents tested. This strategy of gel…
There are numerous radio frequency and microwave device applications which require materials with high electrical tunability and low dielectric loss. For phased array antenna applications there is also a need for materials which can operate above room temperature and which have a low temperature coefficient of capacit…
Abstract Enhancement of the oxygen gas barrier properties of polyethylene terephthalate (PET), used in the packaging industry, is the main objective here. For this purpose, nanocomposites of PET containing graphite nanoplatelets (GNPs) were prepared by melt compounding. The effects of the nanocomposites' structural mo…
We demonstrate that the intrinsic aqueous solubility of crystalline druglike molecules can be estimated with reasonable accuracy from sublimation free energies calculated using crystal lattice simulations and hydration free energies calculated using the 3D Reference Interaction Site Model (3D-RISM) of the Integral Equ…
The Worldwide Protein Data Bank (wwPDB) is the international collaboration that manages the deposition, processing and distribution of the PDB archive. The wwPDB's mission is to maintain a single archive of macromolecular structural data that are freely and publicly available to the global community. Its members [RCSB…
Gold (Au), silver (Ag), and Ag(core)Au(shell) nanoparticles (NPs) were explored as optical sensing agents for the sensitive detection of dopamine (DA) neurotransmitters in surface-enhanced Raman scattering (SERS) measurements. In these colloidal systems, dopamine (DA) molecules played as a cross-linker between M NPs (…
In the field of drug delivery, pH-sensitive polymeric microparticles can be used to release therapeutic payloads slowly in extracellular conditions (pH 7.4) and faster in more acidic areas in vivo, such as sites of inflammation, tumors, or intracellular conditions. Our group currently uses and is further developing th…
Despite considerable efforts in developing curve-fitting protocols to evaluate the crystallinity index (CI) from X-ray diffraction (XRD) measurements, in its present state XRD can only provide a qualitative or semi-quantitative assessment of the amounts of crystalline or amorphous fraction in a sample. The greatest ba…
Abstract Nanocomposites of polypyrrole (PPy) containing copper sulfide (CuS) were synthesized by an in situ chemical oxidative polymerization. The nanocomposites were characterized by FTIR, SEM, XRD, DSC, TGA, and conductivity studies. The FTIR spectra ascertained the chemical interlinking of polypyrole with metal sul…
Magnetic nanoparticles (MNPs) have proven themselves to be useful in biomedical research; however, previous reports were insufficient to address the potential dangers of nanoparticles. Here, we investigated gene expression and metabolic changes based on the microarray and gas chromatography-mass spectrometry with huma…
We present a first-principles study on the interface between perovskite ferroelectrics (PbTiO${}_{3}$) and conducting magnetic manganites (La${}_{1\ensuremath{-}x}$Sr${}_{x}$MnO${}_{3}$). We show that by switching the ferroelectric polarization, additional carriers are accumulated or depleted at the interfacial region…
We report hole and electron doping in La-doped YBa$_2$Cu$_3$O$_y$(YBCO) thin films synthesized by pulsed laser deposition technique and subsequent \emph{in-situ} postannealing in oxygen ambient and vaccum. The $n$-type samples show a metallic behavior below the Mott limit and a high carrier density of $\sim2.8$ $\time…
The flexibility of common generalized gradient approximation for the exchange-correlation energy is investigated by monitoring the equilibrium volume of transition metals. It is shown that no universal gradient-level approximation yielding consistent errors for all metals exists. Based on an element-specific optimizat…
We report measurements of the optical response of polycrystalline DyN thin films. The frequency-dependent complex refractive index in the near IR-visible-near UV was determined by fitting reflection/transmission spectra. In conjunction with resistivity measurements these identify DyN as a semiconductor with 1.2 eV opt…