Diurnal pattern of nitrous oxide emissions from a sewage-enriched river : references to IPCC indirect emission factor

Poster Sessio

Bis(2,2′-bipyridine-κ2 N,N′)bis­(1H-indole-2-carboxyl­ato-κ2 O,O′)cadmium–2,2′-bipyridine–water (1/0.5/2)

The asymmetric unit of title compound, [Cd(C9H6NO2)2(C10H8N2)2]·0.5C10H8N2·2H2O, consists of one complex mol­ecule, one half of an uncoordinated 2,2′-bipyridine mol­ecule and two solvent water mol­ecules. The uncoordinated 2,2′-bipyridine mol­ecule is located on a center of symmetry. Within the complex mol­ecule, the CdII atom is coordinated by four N atoms from two 2,2′-bipyridine ligands and three O atoms from two 1H-indole-2-carboxyl­ate anion ligands, completing a distorted CdN4O3 penta­gonal bipyra­mid. The mol­ecules are assembled into one-dimensional chains along the [100] direction through classical hydrogen bonds (O—H⋯N, N—H⋯O and O—H⋯O). The resulting chains are further connected into two-dimensional supra­molecular layers parallel to the (110) direction by inter­molecular classical hydrogen bonds (N—H⋯O and O—H⋯O) from adjacent chains. A three-dimensional supra­molecular network is formed via interlayer and O—H⋯O hydrogen bonds

Poly[μ-aqua-diaqua­(μ3-N′-carboxy­methyl­ethylenediamine-N,N,N′-tri­acetato)oxidopotassium(I)vanadium(IV)]

In the crystal structure of the title compound, [KV(C10H13N2O8)O(H2O)3]n, the VIV ion adopts a distorted octa­hedral geometry, coordinated by one oxide group, two N and three carboxylate O atoms from the same N′-carboxy­methyl­ethyl­ene­diamine-N,N,N′-triacetate (HEDTA) ligand. The potassium ion is hepta­coordinated by two water mol­ecules, two bridging water mol­ecules and three carboxylate O atoms from three neighbouring HEDTA ligands. The HEDTA ligands and some of the water mol­ecules act as bridges, linking the compound into a three-dimensional architecture via 21 screw, c-glide, translation and inversion symmetry operators. Meanwhile, three types of O—H⋯O hydrogen bonds provide an additional stabilization of the three-dimensional architecture

4-[(5-Bromo-2-hy­droxy­benzyl­idene)amino]-3-propyl-1H-1,2,4-triazole-5(4H)-thione

The asymmetric unit of the title compound, C12H13BrN4OS, contains two independent mol­ecules in which the dihedral angles between the triazole and benzene rings are 2.9 (3) and 7.5 (3)°. The thione group is of the form R 2C=S. An intra­molecular O—H⋯N hydrogen bond occurs in each mol­ecule. The crystal structure features weak N—H⋯S inter­actions and π–π stacking of the benzene rings [centroid–centroid distance = 3.667 (3) Å]

Motion characteristics of the vertebral segments with lumbar degenerative spondylolisthesis in elderly patients

Objective Although some studies have reported on the kinematics of the lumbar segments with degenerative spondylolisthesis (DS), few data have been reported on the in vivo 6 degree-of-freedom kinematics of different anatomical structures of the diseased levels under physiological loading conditions. This research is to study the in vivo motion characteristics of the lumbar vertebral segments with L4 DS during weight-bearing activities. Methods Nine asymptomatic volunteers (mean age 54.4) and 9 patients with L4 DS (mean age 73.4) were included. Vertebral kinematics was obtained using a combined MRI/CT and dual fluoroscopic imaging technique. During functional postures (supine, standing upright, flexion, and extension), disc heights, vertebral motion patterns and instability were compared between the two groups. Results Although anterior disc heights were smaller in the DS group than in the normal group, the differences were only significant at standing upright. Posterior disc heights were significantly smaller in DS group than in the normal group under all postures. Different vertebral motion patterns were observed in the DS group, especially in the left–right and cranial–caudal directions during flexion and extension of the body. However, the range of motions of the both groups were much less than the reported criteria of lumbar spinal instability. Conclusion The study showed that lumbar vertebra with DS has disordered motion patterns. DS did not necessary result in vertebral instability. A restabilization process may have occurred and surgical treatment should be planned accordingly.China Scholarship CouncilNational Institutes of Health (U.S.) (R21AR057 989

Aqua­(4-fluoro­benzoato-κO)bis­(1,10-phenanthroline-κ2 N,N′)manganese(II) 4-fluoro­benzoate trihydrate

In the title compound, [Mn(C7H4FO2)(C12H8N2)2(H2O)](C7H4FO2)·3H2O, the MnII atom is coordinated by four N atoms from two chelating 1,10-phenanthroline ligands and two O atoms from one monodentate 4-fluoro­benzoate ion and one water mol­ecule, forming a distorted octa­hedral geometry. In the crystal, the three components are assembled into a tape structure along the a axis by O—H⋯O and C—H⋯O hydrogen bonds. Between the tapes, a π–π inter­action with a centroid–centroid distance of 3.569 (3) Å and a weak C—H⋯F hydrogen bond are observed

SubpathwayMiner: a software package for flexible identification of pathways

With the development of high-throughput experimental techniques such as microarray, mass spectrometry and large-scale mutagenesis, there is an increasing need to automatically annotate gene sets and identify the involved pathways. Although many pathway analysis tools are developed, new tools are still needed to meet the requirements for flexible or advanced analysis purpose. Here, we developed an R-based software package (SubpathwayMiner) for flexible pathway identification. SubpathwayMiner facilitates subpathway identification of metabolic pathways by using pathway structure information. Additionally, SubpathwayMiner also provides more flexibility in annotating gene sets and identifying the involved pathways (entire pathways and sub-pathways): (i) SubpathwayMiner is able to provide the most up to- date pathway analysis results for users; (ii) SubpathwayMiner supports multiple species (~100 eukaryotes, 714 bacteria and 52 Archaea) and different gene identifiers (Entrez Gene IDs, NCBI-gi IDs, UniProt IDs, PDB IDs, etc.) in the KEGG GENE database; (iii) the system is quite efficient in cooperating with other R-based tools in biology. SubpathwayMiner is freely available at http://cran.r-project.org/web/packages/SubpathwayMiner/

Ethyl [(2-hydroxy­phen­yl)(pyridinium-2-ylamino)meth­yl]phospho­nate methanol solvate

In the title compound, C14H17N2O4P·CH3OH, the planes of the pyridinium-2-ylamino and 2-hydroxy­phenyl groups form a dihedral angle of 75.6 (1)°, with the pyridinium NH group and the 2-hydroxy­phenyl OH group pointing in opposite directions. Three intra­molecular hydrogen bonds are observed. Two phospho­nate and two methanol mol­ecules are connected by O—H⋯O hydrogen bonds as a centrosymmetric dimeric cluster, and inter­act further with other dimeric clusters via N—H⋯O, O—H⋯O and C—H⋯O hydrogen bonds and C—H⋯π inter­actions, resulting in a sheet structure