Search results for "MIDI"
showing 10 items of 1431 documents
Effect of weather conditions on somatic cell score in Sicilian Valle del Belice ewes
2010
Mastitis susceptibility of Valle del Belice ewes from the south of Sicily to temperature, humidity, precipitation, solar radiation, sun hours, air pressure, wind-speed and wind-direction measured by a public weather station was investigated using 65,848 test-day somatic cell score (SCS) records of 5,237 ewes. All weather parameters had an effect on SCS in a regression approach. Extreme values of maximum and minimum temperaturehumidity indices resulted in increased SCS. Higher precipitation, solar radiation and sun hours resulted in increased SCS, whereas higher air pressure and wind speed resulted in reduced SCS.
Halogen Bonds in Square Planar 2,5-Dihalopyridine-Copper(II) Bromide Complexes
2018
Halogen bonding in self-complementary 1:2 metal–ligand complexes obtained from copper(II) bromide (CuBr2) and seven 2,5-dihalopyridines were analyzed using single-crystal X-ray diffraction. All presented discrete complexes form 1D polymeric chains connected with C–X···Br–Cu halogen bonds (XB). In (2-chloro-5-X-pyridine)2·CuBr2 (X = Cl, Br, and I) only the C5-halogen and in (2-bromo-5-X-pyridine)2·CuBr2 (X = Cl, Br, and I) both C2- and C5-halogens form C–X···Br–Cu halogen bonds with the X acting as the XB donor and copper-coordinated bromide as the XB acceptor. The electron-withdrawing C2-chloride in (2-chloro-5-X-pyridine)2·CuBr2 complexes has only a minor effect on the C5–X5···Br–Cu XBs, a…
Conformations and Energetics of Sulfur and Selenium Diimides
2003
The geometries and energetics of different conformations of sulfur and selenium diimides E(NR) 2 (E = S, Se; R = H, Me, 'Bu, C 6 H 3 Me 2 -2,6, SiMe 3 ) have been studied by using various ab initio and DFT molecular orbital techniques. The syn,syn conformation is found to be most stable for parent E(NH) 2 , but in general, the preferred molecular conformation for substituted chalcogen diimides is syn,anti. In the case of E(NH) 2 the present calculations further confirm that syn,syn and syn,anti conformations lie energetically close to each other. From the three different theoretical methods used, B3PW91/6.31G * proved to be the most suitable method for predicting the geometries of chalcogen…
Angular Regioselectivity in the Reactions of 2-Thioxopyrimidin-4-ones and Hydrazonoyl Chlorides : Synthesis of Novel Stereoisomeric Octahydro[1,2,4]t…
2020
The regioselective synthesis of cis and trans stereoisomers of variously functionalized octahydro[1,2,4]triazolo[4,3-a]quinazolin-5-ones was performed. The 2-thioxopyrimidin-4-ones used in the synthesis reacted with hydrazonoyl chlorides in a regioselective manner to produce the angular regioisomers [1,2,4]triazolo[4,3-a]quinazolin-5-ones rather than the linear isomers [1,2,4]triazolo[4,3-a]quinazolin-5-ones. The synthesis process took place with electronic control. The angular regiochemistry of the products was confirmed by X-ray experiments and two-dimensional NMR studies.
Synthesis of a Novel Hydrazone of Thieno[2,3-d]pyrimidine Clubbed with Ninhydrin: X-ray Crystal Structure and Computational Investigations
2023
The novel hydrazone-containing thieno[2,3-d]pyrimidine, namely, N′-(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)-2-(4-oxo-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)acetohydrazide 4 was synthesized in a very good yield from the reaction of the triketoester 1 or ninhydrin 2 with the exocyclic acetohydrazide 3 in methanol. Good-quality crystals of 4 were obtained by recrystallization of the compound from the DMF/MeOH solvent mixture. The target product 4 crystallized in the triclinic crystal system and P-1 space group. The topology analysis of molecular packing indicated that the H…H (30.4%), O…H (22.0%) and H…C (17.0%) contacts are the most dominant i…
Structural analysis of two foldamer-type oligoamides – the effect of hydrogen bonding on solvate formation, crystal structures and molecular conforma…
2012
Author's Final draft The crystal structures and molecular conformations of two foldamer-type oligoamides were analyzed. One polymorphic form and seven solvates were found for N¹,N³-bis(2-benzamidophenyl)benzene-1,3-dicarboxamide (the benzene variant), and two polymorphic forms and six solvates for N²,N⁶-bis(2-benzamidophenyl)pyridine-2,6-dicarboxamide (the pyridine variant). Three crystal structures of the benzene variant and seven structures of the pyridine variant were solved using single crystal X-ray diffraction. The crystal structures showed that the different modes of intramolecular hydrogen bonding strongly affect the conformation and folding of the molecules, which is most evidently…
Identification of mixed bromidochloridotellurate anions in disordered crystal structures of (bdmim)2[TeX2Y4] (X, Y = Br, Cl; bdmim = 1-butyl-2,3-dime…
2014
The discrete mixed [TeBrxCl6−x]2− anions in their disordered crystal structures have been identified by using the phases prepared by the reaction of 1-butyl-2,3-dimethylimidazolium halogenides (bdmim)X with tellurium tetrahalogenides TeX4 (X = Cl, Br) as examples. Homoleptic (bdmim)2[TeX6] [X = Cl (1), Br (2)] and mixed (bdmim)2[TeBr2Cl4] (3), and (bdmim)2[TeBr4Cl2] (4) are formed depending on the choice of the reagents, and their crystal structures have been determined by single-crystal X-ray diffraction. The coordination environments of tellurium in all hexahalogenidotellurates are almost octahedral. Because of the crystallographic disorder, the mixed [TeBr2Cl4]2− and [TeBr4Cl2]2− anions …
Hygrothermal conditions in Cross Laminated Timber (CLT) dwellings
2020
The use of CLT has been increasing the last decade, and a subsequently focus on documentation of the accompanying indoor climate and exposed wooden surfaces on human well-being. This study presents the results of a measurement campaign conducted over one year of a CLT apartment building in Grimstad, Norway. The apartment building consists of three floors with 35 apartments and comply with the Norwegian passive house standard and energy grade A. Measurements of the relative humidity (RH), indoor air temperature and wood moisture content (MC) were performed in the exposed CLT spruce panels in three apartments in two different floors. The results from the three apartments show a relatively sma…
Establishing material hygrothermal characteristics via long-term monitoring and best-fit numerical models
2020
Numerical models of heat and moisture transfer for performance forecast of lightweight insulating assemblies require many inputs. These include exterior climate data (i.e. temperature, relative humidity, solar radiation), interior climate data or standard models, transfer coefficients, correct initial conditions, etc. Most importantly, one needs reliable material models. A material model includes porosity, density, heat capacity, but also non-constant properties, such as thermal conductivity, vapor/liquid water diffusivity, sorption curves. These are, in general, difficult to determine, and material database entries often are incomplete, or simply non-existent. However, if one performs long…
First record of Hemidiaptomus (Gigantodiaptomus) superbus (Schmeil, 1895) in Italy, with notes on distribution and conservation status (Copepoda, Cal…
2011
Hemidiaptomus (Gigantodiaptomus) superbus (Schmeil, 1895) was found in a temporary pool in the Pineta di Classe coastal pine-wood (Ravenna, northern Italy). This is the first official record of a species belonging to the subgenus Gigantodiaptomus of Italian fauna, and it widens the known distribution of this rare diaptomid to the Mediterranean basin. In order to supply data on this rare and poorly known species, original drawings for the Italian population have been provided, and some overlooked morphological features have been highlighted. In light of the growing evidence of the existence of a number of cryptic species in the Diaptomidae family, and considering the variability observed in …