Search results for "operative"

Bringing a Molecular Plus One: Synergistic Binding Creates Guest-Mediated Three-Component Complexes

2020

Cethyl-2-methylresorcinarene (A), pyridine (B), and a set of 10 carboxylic acids (Cn) associate to form A·B·Cn ternary assemblies with 1:1:1 stoichiometry, representing a useful class of ternary systems where the guest mediates complex formation between the host and a third component. Although individually weak in solution, the combined strength of the multiple noncovalent interactions organizes the complexes even in a highly hydrogen-bond competing methanol solution, as explored by both experimental and computational methods. The interactions between A·B and Cn are dependent on the pKa values of carboxylic acids. The weak interactions between A and C further reinforce the interactions betw…

Cooperative High-Temperature Spin Crossover Accompanied by a Highly Anisotropic Structural Distortion

2016

Spin transitions are a spectacular example of molecular switching that can provoke extreme electronic and structural reorganizations in coordination compounds. A new 3D cyanoheterometallic framework, [Fe(pz)(Au(CN)2)2], has been synthesized in which a highly cooperative spin crossover has been observed at 367 and 349 K in heating and cooling modes, respectively. Mössbauer spectroscopy revealed a complete transition between the diamagnetic and paramagnetic states of the iron centres. The low-spin-to-high-spin transition induced a drastic structural distortion involving a large one-directional expansion (ca. 10.6%) and contraction (ca. 9.6%) of the lattice. Negative thermal expansion along th…

The effect of pre-heating on monomer elution from bulk-fill resin composites

2020

Background The present study was aimed to evaluate the effect of pre-heating of bulk -fill resin composites on monomer elution from them. Material and Methods Three different types of resin composites were used including Tetric N-Ceram Bulk Fill, X-tra Fill and X-tra Base. 10 cylindrical samples were prepared from each resin composites. Before light curing, 5 samples were pre-heated until reaching 68˚C, then 5 other samples were polymerized at room temperature. After 24 hours, release of UDMA, TEGDMA and BIS-GMA monomers were measured by High-Performance Liquid Chromatography analysis. Data analysis was performed by two-way ANOVA test, Games-Howell and Sidak post hoc tests. Results Pre-heat…

Effect of over the counter mouthwashes with and without alcohol on sorption and solubility of bulk fill resins

2020

Background Composites sorption and solubility can be precursors of several chemical and physical processes, which lead to deleterious effects on the polymer structure. This study evaluated the effect of mouthwashes with and without alcohol on the sorption and solubility of conventional and low viscosity bulk fill resins. Material and Methods Four types of Bulk Fill resins (Filtek™ Bulk Fill, X-tra Fil, Filtek™ Bulk Fill Flow and X-tra Base) were submitted to the following mouthwashes: Listerine Cool Mint and Periogard (containing alcohol) and Listerine Zero and Periogard (alcohol-free). The specimens were stored in the mouthwashes for seven days. Solubility and sorption tests were performed…

Mapping onto ideal chains overestimates self-entanglements in polymer melts

2017

In polymer physics it is typically assumed that excluded volume interactions are effectively screened in polymer melts. Hence, chains could be described by an effective random walk without excluded volume interactions. In this letter, we show that this mapping is problematic by analyzing the occurrence of knots, their spectrum and sizes in polymer melts, corresponding random walks and chains in dilute solution. The effective random walk severely overrates the occurrence of knots and their complexity, particularly when compared to melts of flexible chains, indicating that non-trivial effects due to remnants of self-avoidance still play a significant role for the chain lengths considered in t…

Responses of soil carbon and nitrogen transformations to stump removal

2012

We studied in central Finland whether stump harvesting after clear felling of coniferous forest poses further short-term changes in soil carbon and nitrogen dynamics when compared to the traditional site preparation method, mounding. Exposed mineral soil patches in Norway spruce (Picea abies) dominated clear-cut stands were sampled 1–5 years after the treatments. The extent of the exposed mineral soil surface was significantly larger at the stump removal sites when compared to the mounding sites. No differences were found in soil pH, organic matter content or total concentration of soil C between the treatments or treatment years. Total concentration of soil N was consistently higher and …

Cooperative Binding of Divalent Diamides by N-Alkyl Ammonium Resorcinarene Chlorides

2015

N-Alkyl ammonium resorcinarene chlorides, stabilized by an intricate array of hydrogen bonds leading to a cavitand-like structure, bind amides. The molecular recognition occurs through intermolecular hydrogen bonds between the carbonyl oxygen and the amide hydrogen of the guests and the cation-anion circular hydrogen-bonded seam of the hosts, as well as through CH⋅⋅⋅π interactions. The N-alkyl ammonium resorcinarene chlorides cooperatively bind a series of di-acetamides of varying spacer lengths ranging from three to seven carbons. Titration data fit either a 1:1 or 2:1 binding isotherm depending on the spacer lengths. Considering all the guests possess similar binding motifs, the first bin…

Titelbild: Achieving Strong Positive Cooperativity through Activating Weak Non‐Covalent Interactions (Angew. Chem. 3/2018)

2017

Cover Picture: Achieving Strong Positive Cooperativity through Activating Weak Non‐Covalent Interactions (Angew. Chem. Int. Ed. 3/2018)

2018

Third molar surgical difficulty scales: systematic review and preoperative assessment form

2021

Background The main objective of this systematic review was to collect the pre-existing scales for assessing the difficulty of third molar extraction. The secondary objective was to design a proposal for a preoperative evaluation protocol for the difficulty of third molar extraction. Material and Methods Two independent researchers conducted an electronic search in Pubmed (MEDLINE), Cochrane, and Scopus databases during March 2021. Included studies evaluated the prediction of the difficulty of surgical removal of impacted upper or lower third molars using new indices/scales or pre-existing scales with or without modifications. Articles referring to coronectomies or assessing pre-surgical di…