Cyclo­hexane-1,2-diammonium bis­(pyridine-2-carboxyl­ate)

In the dication of the title salt, C6H16N2 2+·2C6H4NO2 −, the two ammonium groups are in the equatorial positions of the chair-shaped cyclo­hexyl ring. In the crystal, the cations and anions are linked by N—H⋯O and N—H⋯N hydrogen bonds, forming a layer network parallel to the ac plane. Weak π–π inter­actions between adjacent pyridine rings with a centroid–centroid distance of 3.589 (2) Å are also present

Bis(2,2′-bipyridine-κ2 N,N′)dichlorido­platinum(IV) dichloride monohydrate

In the title complex, [PtCl2(C10H8N2)2]Cl2·H2O, the Pt4+ ion is six-coordinated in a distorted octa­hedral environment by four N atoms from the two 2,2′-bipyridine ligands and two Cl atoms. As a result of the different trans influences of the N and Cl atoms, the Pt—N bonds trans to the Cl atom are slightly longer than those trans to the N atom. The compound displays inter­molecular hydrogen bonding between the water mol­ecule and the Cl anions. There are inter­molecular π–π inter­actions between adjacent pyridine rings, with a centroid–centroid distance of 3.962 Å

Binding Mode Identification for 7-keto-8-Aminopelargonic Acid Synthase (AtKAPAS) Inhibitors

In this study, we determined the 3D structure of Arabidopsis thaliana KAPAS by homology modeling. We then investigated the binding mode of compounds obtained from the in-house library using computational docking methods. From the flexible docking study, we achieved high dock scores for the active compounds denoted in this study as compound 3 and compound 4. Thus, we highlight the flexibility of specific residues, Lys 312 and Phe 172, when used in active sites

Effect of a multi-layer infection control barrier on the micro-hardness of a composite resin

OBJECTIVE: The aim of this study was to evaluate the effect of multiple layers of an infection control barrier on the micro-hardness of a composite resin. MATERIAL AND METHODS: One, two, four, and eight layers of an infection control barrier were used to cover the light guides of a high-power light emitting diode (LeD) light curing unit (LCU) and a low-power halogen LCU. The composite specimens were photopolymerized with the LCUs and the barriers, and the micro-hardness of the upper and lower surfaces was measured (n=10). The hardness ratio was calculated by dividing the bottom surface hardness of the experimental groups by the irradiated surface hardness of the control groups. The data was analyzed by two-way ANOVA and Tukey's HSD test. RESULTS: The micro-hardness of the composite specimens photopolymerized with the LED LCU decreased significantly in the four- and eight-layer groups of the upper surface and in the two-, four-, and eight-layer groups of the lower surface. The hardness ratio of the composite specimens wa

Physical properties and biological effects of mineral trioxide aggregate mixed with methylcellulose and calcium chloride

Objectives: Methylcellulose (MC) is a chemical compound derived from cellulose. MTA mixed with MC reduces setting time and increases plasticity. This study assessed the influence of MC as an anti-washout ingredient and CaCl2 as a setting time accelerator on the physical and biological properties of MTA. Material and Methods: Test materials were divided into 3 groups; Group 1(control): distilled water; Group 2: 1% MC/CaCl2; Group 3: 2% MC/CaCl2. Compressive strength, pH, flowability and cell viability were tested. The gene expression of bone sialoprotein (BSP) was detected by RT-PCR and real­ time PCR. The expression of alkaline phosphatase (ALP) and mineralization behavior were evaluated using an ALP staining and an alizarin red staining. Results: Compressive strength, pH, and cell viability of MTA mixed with MC/CaCl2 were not significantly different compared to the control group. The flowability of MTA with MC/CaCI2 has decreased significantly when compared to the control (

catena-Poly[hemi(hexane-1,6-diammonium) [[aqua­dibromido­manganese(II)]-μ-pyridine-2-carboxyl­ato]]

The asymmetric unit of the title compound, {(C6H18N2)0.5[MnBr2(C6H4NO2)(H2O)]}n, contains the repeat unit of the complex anion and one-half of a hexane-1,6-diammonium cation that is located on a twofold rotation axis. In the anionic polymer, the Mn2+ ions are bridged by the pyridine­carboxyl­ate (pic) anion ligand, forming a chain structure along the c axis. The Mn2+ ion is six-coordinated in a distorted octa­hedral environment by one N atom of the pyridine ring, two O atoms of the two carboxyl­ate groups, one O atom of the water mol­ecule and two Br atoms. The compound displays inter­molecular N—H⋯O, N—H⋯Br, O—H⋯Br and O—H⋯O hydrogen bonding. There may also be inter­molecular π–π inter­actions between adjacent pyridine rings, with a centroid–centroid distance of 3.992 (4) Å

Thermal analysis of bulk filled composite resin polymerization using various light curing modes according to the curing depth and approximation to the cavity wall

OBJECTIVE: The purpose of this study was to investigate the polymerization temperature of a bulk filled composite resin light-activated with various light curing modes using infrared thermography according to the curing depth and approximation to the cavity wall. MATERIAL AND METHODS: Composite resin (AeliteFlo, Bisco, Schaumburg, IL, USA) was inserted into a Class II cavity prepared in the Teflon blocks and was cured with a LED light curing unit (Dr's Light, GoodDoctors Co., Seoul, Korea) using various light curing modes for 20 s. Polymerization temperature was measured with an infrared thermographic camera (Thermovision 900 SW/TE, Agema Infra-red Systems AB, Danderyd, Sweden) for 40 s at measurement spots adjacent to the cavity wall and in the middle of the cavity from the surface to a 4 mm depth. Data were analyzed according to the light curing modes with one-way ANOVA, and according to curing depth and approximation to the cavity wall with two-way ANOVA. RESULTS: The peak polymerization temperature of the composite resin was not affected by the light curing modes. According to the curing depth, the peak polymerization temperature at the depth of 1 mm to 3 mm was significantly higher than that at the depth of 4 mm, and on the surface. The peak polymerization temperature of the spots in the middle of the cavity was higher than that measured in spots adjacent to the cavity wall. CONCLUSION: In the photopolymerization of the composite resin, the temperature was higher in the middle of the cavity compared to the outer surface or at the internal walls of the prepared cavity

Tetra­chlorido(1,10-phenanthroline-κ2 N,N′)platinum(IV) monohydrate

In the title complex, [PtCl4(C12H8N2)]·H2O, the Pt4+ ion is six-coordinated in a distorted octa­hedral environment by two N atoms of a 1,10-phenanthroline ligand and by four Cl atoms. As a result of the different trans effects of the N and Cl atoms, the Pt—Cl bonds trans to the N atom are slightly shorter than those trans to the Cl atom. The compound displays inter­molecular π–π inter­actions between the six-membered rings, with a centroid–centroid distance of 3.834 Å. There are also weak intra­molecular C—H⋯Cl hydrogen bonds. According to the IR spectrum, solvent water was present in the crystal, but owing to the high thermal motion of the uncoordinated O atom, the H atoms could not be detected

Generation of a single-cycle pulse using a two-stage compressor and its temporal characterization using a tunnelling ionization method

A single-cycle laser pulse was generated using a two-stage compressor and characterized using a pulse characterization technique based on tunnelling ionization. A 25-fs, 800-nm laser pulse was compressed to 5.5 fs using a gas-filled hollow-core fibre and a set of chirped mirrors. The laser pulse was further compressed, down to the single-cycle limit by propagation through multiple fused-silica plates and another set of chirped mirrors. The two-stage compressor mitigates the development of higher-order dispersion during spectral broadening. Thus, a single-cycle pulse was generated by compensating the second-order dispersion using chirped mirrors. The duration of the single-cycle pulse was 2.5 fs, while its transform-limited duration was 2.2 fs. A continuum extreme ultraviolet spectrum was obtained through high-harmonic generation without applying any temporal gating technique. The continuum spectrum was shown to have a strong dependence on the carrier-envelope phase of the laser pulse, confirming the generation of a single-cycle pulse. © 2019, The Author(s