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Doping stability of nonphotorefractive ions in stoichiometric and congruent LiNbO3
The doping stability of various nonphotorefractive ions including Mg, Zn, In, Sc, Sn, Hf, and Zr in stoichiometric, congruent, and Fe-doped LiNbO3 has been investigated by hybrid density functional theory. It is found to be energetically prefer for all the dopants to incorporate into Li sites of all...

Creating Capsules with Cubanes
A sextuply linked capsule incorporating two Ni(II) cubane units is formed when Ni(II) salts are reacted with N-aminoalkyl salicylamidato ligands in a 4:3 ratio in methanol. With a short (propyl) alkyl substituent, additional chloride counter ions are included in the cavity by occupation of one apex ...

Novel magnetite nanorods decorated Si-Schiff base complex for efficient immobilization of U(VI) and Pb(II) from water solutions
A novel silicon Schiff base complex (Si-SBC) and magnetite nanorods decorated Si-SBC (M/SiO2-Si-SBC) were synthesized and well characterized in detail. The synthesized materials were applied for the removal of U(VI) and Pb(II) from water solutions under various experimental conditions. The monolayer...

In Silico Study of Bombyx Mori Fibroin Enhancement by Graphene in Acidic Environment
Bombyx Mori Fibroin has been widely used long time ago and becoming popular materials. Here, we carry out the Molecular Dynamics simulation based docking simulation of small fragment of graphene in order to seek for the best binding position on the N-termini domain of Bombyx Mori fibroin. We report ...

Design Concepts in Absorbance Optical Systems for Analytical Ultracentrifugation
Analytical ultracentrifugation is a powerful technique for analyzing particles in solution, and has proved valuable for a wide range of applications in chemistry, biochemistry and material sciences for many years. The field is presently seeing a resurgence of instrument development from commercial a...

Molecular dynamics simulation of the electrical conductive network formation of polymer nanocomposites with polymer-grafted nanorod
Grafting chains on the surface of filler is an effective strategy to tune and control the filler conductive network, which can be utilized to fabricate polymer nanocomposites (PNCs) with high electrical conductivity. In this work, by employing the coarse-grained molecular dynamics simulation, we inv...

Synthesis of cationic molybdenum-cobalt heterometallic clusters protected against hydrolysis by macrocyclic triazacyclononane complexes
Four kinds of cobalt-polyoxomolybdenum clusters were synthesized by a combination of polyoxomolybdates and a Co-tacn (tacn = 1,4,7-triazacyclononane) complex. The heterometallic polynuclear clusters were obtained by the reaction of Na2MoO4 and [Co(tacn)(H2O)3](CF3SO3)3∙H2O in aqueous solution. The p...

A novel mechanism for user-friendly and self-activated microdroplet generation capable of programmable control
Unlike conventional approaches that require bulky and expensive pumping equipment, herein, we present a simple method for self-activated microdroplet generation and transport inside a long microchannel. The high gas-pressure in the syringes is used to provide the built-in power of self-priming so th...

Kinetic barriers to [small alpha]-synuclein protofilament formation and conversion into mature fibrils
Oligomeric and protofibrillar aggregates that are populated along the pathway of amyloid fibril formation appear generally to be more toxic than the mature fibrillar state. In particular, α-synuclein, the protein associated with Parkinson's disease, forms kinetically trapped protofibrils in the pres...

Direct water-based synthesis and characterization of new Zr/Hf-MOFs with dodecanuclear clusters as IBU
Two new metal-organic framework compounds of composition [M12(μ3-O)8(μ3-OH)8(μ-OH)6(OH)6(H2O)6(APDC)6], with M = Zr and Hf denoted as M-CAU-39, containing the azopyridinedicarboxylate ion (APDC2-) as a new linker, were obtained by a water based synthesis. The crystal structure was determined from po...

Directed Assembly of Fullerene on Modified Au(111) Electrodes
Here we show a conceptual approach to realize the scanning probe based induced-assembly of fullerene (C60) molecules on top of a buffer organic adlayer at room temperature in solution environment. The realization of spatially-defined C60 assembly is attributed to modulation of substrate-molecular in...

Charge effects regulate reversible CO2 reduction catalysis
Modular but geometrically constrained ligands were used to investigate the impact of key ligand design parameters (charge and bite angle) on CO2 hydrogenation and formic acid dehydrogenation activity. These studies yielded an optimized catalyst that achieved over 118 000 turnovers in CO2 hydrogenati...

Rapid access to RNA resonances by proton-detected solid-state NMR at >100 kHz MAS
Fast (>100 kHz) magic angle spinning (MAS) Nuclear Magnetic Resonance (NMR) allows to combine the high sensitivity of proton detection with the absence of an intrinsic molecular weight limit in solid-state NMR. This technique enables observing for the first time narrow 1H NMR resonances for an RNA-p...

Change in collective motion of colloidal particles driven by optical vortex with driving force and spatial confinement
We studied the change in collective behavior of optically driven colloidal particles on a circular path. The particles are simultaneously driven by the orbital angular momentum of an optical vortex beam generated by a holographic optical tweezer. The driving force is controlled by the topological ch...

A versatile biosynthetic approach to amide bond formation
The development of versatile and sustainable catalytic strategies for amide bond formation is a major objective for the pharmaceutical sector and the wider chemical industry. Herein, we report a biocatalytic approach to amide synthesis which exploits the diversity of Nature's amide bond forming enzy...


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