TiO Nanotubes Decorated with MoC for Enhanced Photoelectrochemical Water-Splitting Properties.

The presence of Ti in the structure of TiO nanotube arrays (NTs) has been shown to enhance the photoelectrochemical (PEC) water-splitting performance of these NTs, leading to improved results compared to pristine anatase TiO NTs. To further improve the properties related to PEC performance, we successfully produced TiO NTs using a two-step electrochemical anodization technique, followed by annealing at a temperature of 450 °C. Subsequently, MoC was decorated onto the NTs by dip coating them with precursors at varying concentrations and times.

Microtubular cellulose-derived kapok fibre as a solid electron donor for boosting photocatalytic HO production over C-doped g-CN hybrid complexation.

Cellulose continues to play an important and emerging role in photocatalysis, and its favourable properties, such as electron-rich hydroxyl groups, could enhance the performance of photocatalytic reactions. For the first time, this study exploited the kapok fibre with microtubular structure (t-KF) as a solid electron donor to enhance the photocatalytic activity of C-doped g-CN (CCN) via ligand-to-metal-charge-transfer (LMCT) to improve hydrogen peroxide (HO) production performance. As confirmed by various characterisation techniques, the hybrid complex consisting of CCN grafted on t-KF was successfully developed in the presence of succinic acid (SA) as a cross-linker via a simple hydrothermal approach.

Bio-Doped Microbial Nanosilica as Optosensing Biomaterial for Visual Quantitation of Nitrite in Cured Meats.

A microbial optosensor for nitrite was constructed based on biomimetic silica nanoparticles, which were doped with R5, a polypeptide component of silaffin, as a robust biosilica immobilization matrix entrapped with Raoultella planticola and NAD(P)H cofactor during the in vitro biosilicification process of silica nanoparticles. Ruthenium(II)(bipy)2(phenanthroline-benzoylthiourea), the chromophoric pH probe, was physically adsorbed on the resulting biogenic nanosilica. Optical quantitation of the nitrite concentration was performed via reflectance transduction of the bio-doped microbial nanosilica at a maximum reflectance of 608 nm, due to the deprotonation of phen-BT ligands in the ruthenium complex, while the intracellular enzyme expression system catalyzed the enzymatic reduction of nitrite.

Vertical MoS on SiO/Si and graphene: effect of surface morphology on photoelectrochemical properties.

Two-dimensional materials have attracted intensive attention recently due to their unique optical and electronic properties and their promising applications in water splitting and solar cells. As a representative layer-structured of transition metal dichalcogenides, MoS has attracted considerable devotion owing to its exceptional photo and electro properties. Here, we show that the chemical vapour deposition (CVD) growth of MoS on Si photocathode and graphene/Si photocathode can be used to prepare photoelectrocatalysts for water splitting.

Experimental and computational studies on ruthenium(ii) bis-diimine complexes of N,N'-chelate ligands: the origin of changes in absorption spectra upon oxidation and reduction.

This work presents an interpretation of the origin of changes in absorption spectra upon one-electron oxidation and reduction of two ruthenium polypyridyl complexes based on a combination of UV-Vis spectroelectrochemical experiments and theoretical calculations using the Gaussian 09 program. A bis-chelating ligand containing a p-bromobenzoylthiourea unit connected to 1,10-phenanthroline (phen-p-BrBT) has been prepared. Complexation of phen-p-BrBT to ruthenium bis-diimine centres, Ru(N-N) [N-N = 2,2'-bipyridine (bpy) or 1,10-phenanthroline (phen)], affords octahedral Ru(ii) tris-diimine complexes that are synthesised and structurally characterised.

Supramolecular structures of rhenium(I) complexes mediated by ligand planarity via the interplay of substituents.

The crystal and molecular structures of two Re tricarbonyl complexes, namely fac-tricarbonylchlorido[1-(4-fluorocinnamoyl)-3-(pyridin-2-yl-κN)pyrazole-κN]rhenium(I), [ReCl(CHFNO)(CO)], (I), and fac-tricarbonylchlorido[1-(4-nitrocinnamoyl)-3-(pyridin-2-yl-κN)pyrazole-κN]rhenium(I) acetone monosolvate, [ReCl(CHClNO)(CO)]·CHO, (II), are reported. The complexes form centrosymmetric dimers that are linked into one-dimensional columns by C-H..

Crystal structure of 4-meth-oxy--(piperidine-1-carbono-thio-yl)benzamide.

In the title compound, CHNOS, the piperidine ring has a chair conformation. Its mean plane is twisted with respect to the 4-meth-oxy-benzoyl ring, with a dihedral angle of 63.0 (3)°.

Augmented pH-sensitivity absorbance of a ruthenium(ii) bis(bipyridine) complex with elongation of the conjugated ligands: an experimental and theoretical investigation.

An absorbance-based sensor employing ruthenium bipyridyl with a phenanthroline-fused benzoylthiourea moiety formulated as [Ru(ii)(bpy)(phen-nBT)](PF) {bpy = 2,2'-bipyridine, phen = 1,10-phenanthroline, nBT = n-benzoylthiourea} has been synthesized and characterized by elemental analyses, mass spectrometry, and infrared, ultraviolet-visible, luminescence and nuclear magnetic resonance spectroscopy. The changes in the intensity of absorption and emission of the complex induced by functionalization of the benzoylthiourea ligands with amino and carbonyl in their protonated and deprotonated forms were studied experimentally. The absorption and emission properties of the complex exhibit a strong dependence on the pH (1-11) of the aqueous medium.

Crystal structure of ()-4-hy-droxy-'-(3-meth-oxy-benzyl-idene)benzohydrazide.

The title compound, CHNO, crystallizes with two independent mol-ecules ( and ) in the asymmetric unit that differ in the orientation of the 3-meth-oxy-phenyl group with respect to the methyl-idenebenzohydrazide unit. The dihedral angles between the two benzene rings are 24.02 (10) and 29.

Crystal structure of 4-meth-oxy-N-[(pyrrolidin-1-yl)carbo-thio-yl]benzamide.

In the title compound, C13H16N2O2S, the pyrrolidine ring has a twisted conformation on the central -CH2-CH2- bond. Its mean plane is inclined to the 4-meth-oxy-benzoyl ring by 72.79 (15)°.

Recipient characteristics and outcome of pediatric kidney transplantation at the King Fahad Specialist Hospital-Dammam.

The success of a pediatric kidney transplantation program can only be judged by reviewing its results. We aim to audit our short-term outcome of pediatric kidney transplantation at the King Fahad Specialist Hospital-Dammam. A retrospective chart review was performed to collect data about recipient demographics, etiology of end-stage kidney disease, type of dialysis, type of donor and outcome.

A DFT analyses for molecular structure, electronic state and spectroscopic property of a dithiolene tungsten carbonyl complex.

Bis(dithiolene) tungsten carbonyl complex, W(S2C2Ph2)2(CO)2 was successfully synthesized and the structure, frontier molecular orbital and optical properties of the complex were investigated theoretically using density functional theory calculations. The investigation started with a molecular structure construction, followed by an optimization of the structural geometry using generalized-gradient approximation (GGA) in a double numeric plus polarization (DNP) basis set at three different functional calculation approaches. Vibrational frequency analysis was used to confirm the optimized geometry of two possible conformations of [W(S2C2Ph2)2(CO)2], which showed distorted octahedral geometry.

Synthesis, structure and theoretical investigation into a homoleptic tris(dithiolene) tungsten.

A new homoleptic dithiolene tungsten complex, tris-{1,2-bis(3,5-dimethoxyphenyl)-1,2-ethylenodithiolene-S,S'}tungsten, was successfully synthesized via a reaction of the thiophosphate ester and sodium tungstate. The thiophosphate ester was prepared from 3,5-dimethoxybenzaldehyde via benzoin condensation to produce the intermediate 1,2-bis-(3,5-dimethoxyphenyl)-2-hydroxy-ethanone compound, followed by a reaction of the intermediate with phosphorus pentasulfide. FTIR, UV-Vis spectroscopy, 1H NMR and 13C NMR and elemental analysis confirmed the product as tris{1,2-bis-(3,5-dimethoxyphenyl)-1,2-ethylenodithiolene-S,S'}tungsten with the molecular formula of C54H54O12S6W.

1,4-Dibromo-2,5-dibut-oxy-benzene.

The asymmetric unit of the title compound, C(14)H(20)Br(2)O(2), contains one half-mol-ecule located on an inversion centre. The mol-ecule is essentially planar, with a maximum deviation from the best plane of the non-H atoms of 0.054 (2) Å for the O atoms.

2,2'-[2,5-Bis(hex-yloxy)-1,4-phenyl-ene]dithio-phene.

The asymmetric unit of the title compound, C(26)H(34)O(2)S(2), comprises one half-mol-ecule located on an inversion centre. The thio-phene groups are twisted relative to the benzene ring, making a dihedral angle of 5.30 (7)°, and the n-hexyl groups are in a fully extended conformation.

N-(Pyrrolidin-1-ylcarbothio-yl)benzamide.

In the title compound, C(12)H(14)N(2)OS, the pyrrolidine ring adopts an envelope conformation with the C atom at the 3-position as the flap and makes a dihedral angle of 65.80 (9)° with the benzene ring. In the crystal, N-H⋯O hydrogen bonds join c-glide related mol-ecules into chains extended along [001] that are further connected into (100) layers via C-H⋯O inter-actions.

3-Amino-5-(piperidin-1-yl)thio-phene-2,4-dicarbonitrile.

In the title compound, C(11)H(12)N(4)S, the thio-phene ring is roughly planar, with a maximum deviation of 0.012 (1) Å for the S atom, and makes a dihedral angle of 7.89 (8)° with the mean plane of the piperidine ring, which is in a chair conformation.

1,1-Diethyl-3-(4-meth-oxy-benzo-yl)thio-urea.

In the title compound, C(13)H(18)N(2)O(2)S, the 4-meth-oxy-benzoyl fragment is approximately planar [maximum deviation = 0.057 (2) Å] and twisted relative to the thio-amide fragment, forming a dihedral angle of 86.62 (6)°.

3-Oxo-5-(piperidin-1-yl)-2,3-dihydro-1H-pyrazole-4-carbonitrile.

In the title compound, C(9)H(12)N(4)O, the piperidine ring adopts a chair conformation and makes a dihedral angle of 42.49 (11)° with the approximately planar pyrazole moiety [maximum deviation = 0.038 (2) Å].

3,5-Dibromo-2-[2,5-dibut-oxy-4-(3,5-dibromo-thio-phen-2-yl)phen-yl]thio-phene.

The title mol-ecule, C(22)H(22)Br(4)O(2)S(2), is centrosymmetric with an inversion centre located at the centre of the benzene ring. The 3,5-dibromo-thio-phene groups are twisted relative to the benzene ring, making a dihedral angle of 41.43 (9)°.

1,1-Dibenzyl-3-(4-fluoro-benzo-yl)thio-urea.

In the title compound, C(22)H(19)FN(2)OS, the 2-fluoro-benzoyl group adopts a trans conformation with respect to the thiono S atom across the N-C bond. In the crystal, inter-molecular N-H⋯S, C-H⋯S and C-H⋯O hydrogen bonds link the mol-ecules, forming a two-dimensional network parallel to (101).

3-(3-Meth-oxy-benzo-yl)-1,1-diphenyl-thio-urea.

The thiono and carbonyl groups in the title compound, C(21)H(18)N(2)O(2)S, adopt an anti disposition with respect to the central C-N bond. The diphenyl-amine rings are twisted relative to each other by a dihedral angle of 82.55 (10)°.

3,3'',4,4''-Tetra-meth-oxy-1,1':4',1''-terphen-yl.

The title mol-ecule, C(22)H(22)O(4), is centrosymmetric with an inversion centre located at the centre of the benzene ring. The 3,4-dimeth-oxy-benzene fragment is essentially planar [maximum deviation = 0.400 (2) Å] and twisted relative to the central benzene ring, forming a dihedral angle of 21.

1-(4-Chloro-benzo-yl)-3-cyclo-hexyl-3-methyl-thio-urea.

In the title compound, C(15)H(19)ClN(2)OS, the dihedral angle between the amide and thio-urea fragments is 58.07 (17)°. The cyclo-hexane group adopts a chair conformation and is twisted relative to the thio-urea fragment, forming a dihedral angle of 87.

1-Benzoyl-3-(pyridin-2-yl)-1H-pyrazole.

In the title compound, C(15)H(11)N(3)O, the dihedral angle betwen the heterocyclic rings is 9.23 (5)° and the dihedral angle between the benzoyl and pyrazole rings is 58.64 (5)°.