Materials Literature
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As compared to classical organic aromatic compounds, the evaluation of aromaticity in all-metal and semimetal clusters is much more complex. For a series of these clusters, it is frequently found that different methods used to discuss aromaticity lead to divergent conclusions. For this reason, there is a need to evalu…
In this work, [Al]-SBA-15 samples were prepared by three different direct synthesis methods and one postsynthesis procedure, aiming to study the influence of the preparation procedures on their structural, textural, and physicochemical features. To this aim, samples were investigated by combining different experimenta…
P450cam from Pseudomonas putida is the best characterized member of the vast family of cytochrome P450s, and it has long been believed to have a more rigid and closed active site relative to other P450s. Here we report X-ray structures of P450cam crystallized in the absence of substrate and at high and low [K(+)]. The…
Two polymorphs of the well-known diuretic drug Lasix, generic name furosemide, are characterized by single crystal X-ray diffraction to give a trimorphic cluster of polymorphs: known form 1 in P 1̅ space group, and novel forms 2 and 3 in P 2 1 / n and P 1̅ space groups. The conformationally flexible molecule 4-chloro-…
Photovoltaic cells with the structure of nanocrystalline TiO 2 /Sb 2 S 3 /(LiSCN)CuSCN were prepared following the extremely thin absorber cell concept and characterized under different gas atmospheres. The cells showed an important light soaking effect in which the cell performance typically evolved from an initial l…
The recently developed DNA-gold nanoparticle (DNA-GNP) biobarcode assay provides polymerase chain reaction (PCR)-like sensitivity for nucleic acid and protein targets without a need for enzymatic amplification. However, application of the conventional assay is challenged by its complex, expensive, time-consuming, and…
In an effort to improve upon the recently reported cyclam based zinc sensor 1, the "click"-generated 1,8-disubstituted analogue 2 has been prepared. The ligand shows a 2-fold increase in its fluorescence emission compared to 1 exclusively in the presence of Zn(II) that is typical of switch-on PET fluorescent sensors.…
Micelle formation from a solution of randomly dispersed diblock copolymers in a selective solvent is found to be a three-stage process with a substantial contribution from kinetic processes involving small aggregates (dimers, trimers, etc.) and micelle fusion/fission resulting in a bimodal aggregation number distribut…
An interatomic potential for the diamond and graphite phases of carbon has been created using a neural-network (NN) representation of the ab initio potential energy surface. The NN potential combines the accuracy of a first-principles description of both phases with the efficiency of empirical force fields and allows…
We report an electrochemical synthesis of ultrafine Pt cubic nanoboxes from Pt-on-Ag heteronanostructures. These cubic nanoboxes have an average edge length of about 6 nm and a wall thickness of 1.5 nm. Several reaction parameters including the profile of applied potentials were examined to develop an optimal procedur…
Seven new Zn(II) metal−organic frameworks [Zn(tib) 2 (H 2 O)](ClO 4 ) 2 ( 1 ), [Zn 4 (tib) 2 (PBDA) 3 (OH) 2 ]·4H 2 O ( 2 ), [Zn(tib)(HPBDA)]ClO 4 ( 3 ), [Zn 2 (tib)(PBDA)Cl 2 ]·2H 2 O ( 4 ), [Zn 4 (tib) 2 (PBDA) 3 Cl 2 ] ( 5 ), [Zn 2 (tib) 2 (PBDA)](NO 3 ) 2 ·2H 2 O ( 6 ), and [Zn 2 (tib)(PBDA)I 2 ]·2H 2 O ( 7 ) [tib…
Current and emerging research areas in electronic structure theory promise to greatly extend the scope and quality of quantum chemical computations. Two particularly challenging problems are the accurate description of electronic near-degeneracies (as occur in bond-breaking reactions, first-row transition elements, et…
We have designed and synthesized novel semiconducting polymers by introducing naphtho[1,2-b:5,6-b']dithiophene (NDT) into the polythiophene backbone. These polymers, which have a highly pi-extended heteroarene unit, achieved mobilities (>0.5 cm(2) V(-1) s(-1)) that are among the highest recorded to date for semiconduc…
In this study, porous Bi 2 WO 6 microsphere photocatalysts were obtained via the ultrasonic spray pyrolysis method using bismuth citrate and tungstic acid as precursors in basic aqueous solution. The characteristics of the resulting samples were investigated in detail by X-ray diffraction, scanning electron microscopy…
When placed on rough hydrophobic surfaces, water droplets of diameter larger than a few millimeters can easily form pearls, as they are in the Cassie-Baxter state with air pockets trapped underneath the droplet. Intriguingly, a natural evaporating process can drive such a Fakir drop into a completely wetting (Wenzel)…
We developed a decellularized murine lung matrix bioreactor system that could be used to evaluate the potential of stem cells to regenerate lung tissue. Lungs from 2-3-month-old C57BL/6 female mice were excised en bloc with the trachea and heart, and decellularized with sequential solutions of distilled water, deterge…
Remarkably versatile chemistry of Bodipy dyes allows the design and straightforward synthesis of multivalent-multitopic derivatives, which, with judicious selection of metal ion-ligand pairs based on known affinities, affords control and manipulation of photoinduced electron transfer and internal charge transfer proce…
Graphene oxide (GO), having a large specific surface area and abundant functional groups, provides an ideal substrate for study enzyme immobilization. We demonstrated that the enzyme immobilization on the GO sheets could take place readily without using any cross-linking reagents and additional surface modification. T…
Self-replicating molecules are likely to have played an important role in the origin of life, and a small number of fully synthetic self-replicators have already been described. Yet it remains an open question which factors most effectively bias the replication toward the far-from-equilibrium distributions characteriz…
The effect on the physico-chemical properties of introducing the sulfur atom into the molecular structure of liquid crystals is discussed and rationalized in terms of existent theories; a comparison is made with the corresponding hydrocarbon and oxygen derivatives.