Search results for "Hydrogen"
showing 10 items of 4254 documents
Crystal structure and Hirshfeld surface analysis of [N(CH3)4][2,2′-Fe(1,7-closo-C2B9H11)2]
2017
This work investigates the meta-ferrabis(dicarbollide) anion that was isolated as salt of tetramethylammonium. The structure of the obtained crystal consisted of discrete [2,2′-Fe(1,7-closo-C2B9H11)2]− anions and disordered [N(CH3)4]+ cations. The anion had a considerable chemical stability ensured by ionic and Van der Waals interactions. Thus, Hirshfeld surfaces and fingerprint plot were used to visualize, explore, and quantify intermolecular interactions in the crystal lattice of the title compound. This investigation proved that close contacts were dominated by H⋯H interactions. peerReviewed
Measurement of θ13 in Double Chooz using neutron captures on hydrogen with novel background rejection techniques
2016
The Double Chooz collaboration presents a measurement of the neutrino mixing angle θ[subscript 13] using reactor [bar over ν[subscript e]] observed via the inverse beta decay reaction in which the neutron is captured on hydrogen. This measurement is based on 462.72 live days data, approximately twice as much data as in the previous such analysis, collected with a detector positioned at an average distance of 1050 m from two reactor cores. Several novel techniques have been developed to achieve significant reductions of the backgrounds and systematic uncertainties. Accidental coincidences, the dominant background in this analysis, are suppressed by more than an order of magnitude with respec…
Liquid structure of a choline chloride-water natural deep eutectic solvent: A molecular dynamics characterization
2021
The liquid structure of a representative of the first water-in-salt (WiS) Natural Deep Eutectic Solvents (NADES), hereinafter indicated as aquoline, a mixture of choline chloride (ChCl) and water with molar ratio 1:3.33, is ex- plored at ambient conditions. Using Molecular Dynamics (MD) simulation tools, we extract structural informa- tion at atomistic level on the nature of inter-correlations between the different moieties. Despite being a very fluid liquid, with much lower viscosity than other common ChCl-based DES, aquoline turns out to be very struc- tured. Computed X-ray and neutron weighted scattering patterns (the latter also on selectively deuterated mix- tures) highlight the existe…
Selective enrichment of heterotrophic nitrifiers
2019
Removal of nitrogen from wastewaters (WW) represents a global problem. The low nitrification rate during WW treatment is often caused by ecotoxicity. This problem is attributed mostly to the industrial WW. Our study was focused on the testing of industrial WW and activated sludge (AS) with the aim to reveal the abundance of nitrifiers and increase their biomass, thus, providing the additional step, i.e., bioaugmentation, within the technological process of WW treatment. Plating of AS on the selective solidified media designated for the 1st and 2nd nitrification stages, resulted in the shift in bacterial community structure with dominated Alcaligenaceae and Alcanivorax for the 1st stage, and…
B‐DNA structure and stability: the role of nucleotide composition and order
2022
Abstract We have quantum chemically analyzed the influence of nucleotide composition and sequence (that is, order) on the stability of double‐stranded B‐DNA triplets in aqueous solution. To this end, we have investigated the structure and bonding of all 32 possible DNA duplexes with Watson–Crick base pairing, using dispersion‐corrected DFT at the BLYP‐D3(BJ)/TZ2P level and COSMO for simulating aqueous solvation. We find enhanced stabilities for duplexes possessing a higher GC base pair content. Our activation strain analyses unexpectedly identify the loss of stacking interactions within individual strands as a destabilizing factor in the duplex formation, in addition to the better‐known eff…
CCDC 824723: Experimental Crystal Structure Determination
2012
Related Article: L.Lopez-Banet, M.D.Santana, G.Garcia, J.Perez, L.Garcia, L.Lezama, M.Liu|2012|Polyhedron|31|575|doi:10.1016/j.poly.2011.10.014
A new copper(II) chelate complex with tridentate ligand: Synthesis, crystal and molecular electronic structure of aqua-(diethylenetriamine-N, N′, N′′…
2015
Abstract The crystals of a new aqua-(diethylenetriamine-N, N′, N′′)-copper(II) sulfate monohydrate have been synthesized by direct interaction of solid copper(II) sulfate pentahydrate with diethylenetriamine (deta). The crystal structure of [Cu(deta)H2O]SO4⋅H2O (1) has been determined by X-ray diffraction methods at 100 K and characterized using X-ray powder diffraction pattern: space group P 1 ¯ , a = 7.2819(4), b = 8.4669(4), c = 8.7020(3) A, α = 83.590(3), β = 89.620(4), γ = 84.946(4)°, Z = 2. The environment of the Cu(II) atom is a distorted, elongated square pyramid which consists of three nitrogen atoms of the deta molecule and oxygen atom of the water molecule in the basal plane of t…
Synthesis, structural, and thermal characterization of a new binuclear copper(II) chelate complex bearing an amine-hardener for epoxy resins
2016
A new di(μ-carbonato)bis[aqua(diethylenetriamine)copper(II)] hexahydrate complex, [{Cu(NH(C2H4NH2)2)(H2O)(μ-CO3)}2]⋅6H2O (1), was synthesized by direct interaction of malachite with diethylenetriamine (dien). The crystals of 1 were characterized by X-ray powder diffraction and IR spectra, as well as structurally characterized. Compound 1 consists of [{Cu(dien)(H2O)(μ-CO3)}2] discrete units whose CO32– anions play the role of bridging ligands combining two Cu(II) chelate cores into a centrosymmetric dimer. The elongated octahedral environment of Cu2+ consists of three nitrogens of dien and an oxygen from CO32– at the base of the bipyramid; the two apical positions of such polyhedron are occu…
Monitoring biomarkers during preseason preparation period in professional soccer players
2011
Aim. The present study aimed at investigating the effect of a 3-week experimental intervention on biomarkers in professional soccer players during the preseason preparation-period. Methods. Eight participants (age 22.5±2.2 yrs) were enrolled in the study. During the physical preparation period players have attended a training program (51,9 hours) planned by coaches of “Equipe-Sicilia-2009”. Results. At rest, the lipid profile, the creatine kinase (CK), the lactic-acid dehydrogenase (LDH) and the expression of nuclear receptors peroxisome-proliferator-activated receptors (PPAR α/γ) were analyzed before starting and after 3 weeks of training sessions. The plasma level of CK in our samples sho…
(R)-(−)-Quinuclidin-3-ol
2013
The structure of the title compound [alternatively called (R)-(−)-1-azabicyclo[2.2.2]octan-3-ol], C7H13NO, at 100 K has hexagonal (P61) symmetry. The structure shows a twist along the C—N pseudo-threefold axis. In the crystal, molecules are linkedviaO—H...N hydrogen bonds, forming infinite chains along thec-axis direction. The crystal studied was twinned by merohedry (twin law: 010, 100, 00-1; population: 0.925:0.075)