Description: We will present a newly developed algorithm for the retrieval of tropospheric trace gas profiles from MAX-DOAS measurements. A Monte Carlo radiative transfer model, NIMO (NIWA Monte Carlo model) is used to calculate the weighting functions and forward model DSCDs (Differential Slant Column Densities). NIMO uses the local estimation technique to substantially speed up the determination of DSCDs for any given set of measurement ge- ometries, enabling use of the model online rather than using pre-calculated lookup tables. The optimal estimation method is used to retrieve profiles for either single or multiple scan sequences or over prescribed time intervals. This inversion method is used to derive NO2 profiles from MAX-DOAS measurements made during the CINDI campaign at Cabauw, Netherlands, in June/July 2009. BrO profiles retrieved from sea-ice MAX-DOAS measure- ments, made during two Antarctic springtime campaigns in 2006 and 2007, are also presented.

Description: Prospective qualitative and quantitative non-invasive evaluation of intestinal acute GVHD by contrast-enhanced ultrasound sonography Bone Marrow Transplantation 48, 1421 (November 2013). doi:10.1038/bmt.2013.65 Authors: E Benedetti, B Bruno, G B McDonald, A Paolicchi, F Caracciolo, F Papineschi, M Pelosini, D Campani, S Galimberti & M Petrini

Description: New data for parnauite from the type locality, Majuba Hill, Nevada, USA (MH; type specimen), and also from Cap Garonne, Var, France (CG), and the Clara Mine, Baden-Württemberg, Germany, are presented. The average chemical composition of MH material is (Cu 8.82 Al 0.16 Fe 0.02 ) 9.00 (As 1.78 Al 0.07 Si 0.08 S 0.07 ) 2.00 O 8 (SO 4 )(OH) 10 ·7H 2 O and that of CG parnauite, (Cu 8.42 Al 0.21 Zn 0.10 ) 8.73 (AsO 4 ) 2 [(S 0.97 As 0.10 ) 1.07 O 4 ](OH 9.23 Cl 0.77 ) 10.00 · 7H 2 O. Both of these formulae confirm the 9:2:1 Cu:As:S ratio obtained from earlier descriptions of parnauite. Raman spectra for parnauite from both localities are very similar. Bands are assigned, but show no evidence of the presence of CO 3 , in contrast to previous studies, and no distinct Cu–Cl stretching mode. It appears that neither the minor CO 3 and PO 4 previously reported nor Cl are essential constituents of parnauite. Single-crystal XRD analysis indicates a primitive orthorhombic unit cell with dimensions 6 x 14 x 15 Å, similar to previous studies, but h = odd reflections were heavily streaked and diffuse, preventing full refinement. A 3 Å substructure was refined, with space group Pmn 2 1 , to R 1 ( F ) = 0.0750 (MH). For a MH crystal, the subcell had a = 3.0113(4), b = 14.259(3), c = 14.932(2) Å, V = 641.13(16) Å 3 and Z = 1. The structure is of a new type, and contains Cu in 6 distinct sites, forming two three-polyhedron wide ribbons of edge-sharing Cu-O polyhedra extended parallel to the a - axis. The two ribbons lie back-to-back and are bridged by two AsO 4 tetrahedra. The collection of 6Cu + 2As cations plus ligands forms a rod-like moiety extended || a . These rods link through polyhedral corners to form complex, corrugated (010) layers. The interlayer space is occupied by H 2 O molecules. Thus, the disorder observed by XRD is of an unusual type, in which the shape of the unit mesh within layers is variable, rather than the stacking of the layers. Disorder arises because each AsO 4 tetrahedron shares a face with a Cu(O,OH,H 2 O) 5–6 polyhedron in the substructure, necessitating partial occupancy of both As and Cu sites. The S atoms were not located in the refinement, but four electron-density maxima in the interlayer region were interpreted as H 2 O molecules. Hence, the simplified structural formula derived from the substructure is (Cu 10 2 )(As 2 2 )O 8 (OH) 14 ·8H 2 O, deviating from that obtained in chemical analyses. The discrepancy presumably arises due to strong delocalisation of the sulphur and the apical oxygen of the SO 4 tetrahedron in the substructure. Short-range order of Cu–As and Cu–S || a can occur independently in the relevant structural rods, which accounts for the observed long-range disorder. Cell parameters and substructures obtained from CG and Clara material are similar to those from the MH crystal. Site splitting of OH positions in the CG refinement indicates that Cl is distributed over several sites in the 3 Å substructure, making the mineral a Cl-rich variety of parnauite rather than a distinct mineral species.

Description: Background Human equilibrative nucleoside transporter 1 (hENT1) levels in pancreatic adenocarcinoma may predict survival in patients who receive adjuvant gemcitabine after resection. Methods Microarrays from 434 patients randomized to chemotherapy in the ESPAC-3 trial (plus controls from ESPAC-1/3) were stained with the 10D7G2 anti-hENT1 antibody. Patients were classified as having high hENT1 expression if the mean H score for their cores was above the overall median H score (48). High and low hENT1-expressing groups were compared using Kaplan–Meier curves, log-rank tests, and Cox proportional hazards models. All statistical tests were two-sided. Results Three hundred eighty patients (87.6%) and 1808 cores were suitable and included in the final analysis. Median overall survival for gemcitabine-treated patients (n = 176) was 23.4 (95% confidence interval [CI] = 18.3 to 26.0) months vs 23.5 (95% CI = 19.8 to 27.3) months for 176 patients treated with 5-fluorouracil/folinic acid ( 2 1 =0.24; P = .62). Median survival for patients treated with gemcitabine was 17.1 (95% CI = 14.3 to 23.8) months for those with low hENT1 expression vs 26.2 (95% CI = 21.2 to 31.4) months for those with high hENT1 expression ( 2 1 = 9.87; P = .002). For the 5-fluorouracil group, median survival was 25.6 (95% CI = 20.1 to 27.9) and 21.9 (95% CI = 16.0 to 28.3) months for those with low and high hENT1 expression, respectively ( 2 1 = 0.83; P = .36). hENT1 levels were not predictive of survival for the 28 patients of the observation group ( 2 1 = 0.37; P = .54). Multivariable analysis confirmed hENT1 expression as a predictive marker in gemcitabine-treated (Wald 2 = 9.16; P = .003) but not 5-fluorouracil–treated (Wald 2 = 1.22; P = .27) patients. Conclusions Subject to prospective validation, gemcitabine should not be used for patients with low tumor hENT1 expression.

Description: Laurentianite, [NbO(H 2 O)] 3 (Si 2 O 7 ) 2 [Na(H 2 O) 2 ] 3 , is a new mineral discovered in siderite-dominant pods in an altered syenite at the Poudrette quarry, Mont Saint-Hilaire, Quebec. Crystals are colorless, acicular, euhedral, and elongate along [001] with average dimensions of 0.012 x 0.012 x 0.25 mm. The mineral generally occurs in loose, randomly oriented groupings (‘nests’) of crystals. Associated minerals include quartz, pyrite, franconite, rutile, lepidochrocite, and an unidentified Fe-bearing mineral. Laurentianite is transparent to translucent with a vitreous luster and is non-fluorescent under long-, medium-, and short-wave radiation. The Mohs hardness could not be measured owing to the small size of the crystals. No partings or cleavages were observed, although crystals do exhibit a splintery fracture. The calculated density is 2.464 g/cm 3 . Laurentianite is nonpleochroic and uniaxial negative, with 1.612(2) and 1.604(2). The average of 12 analyses from several crystals is: Na 2 O 8.88 (4.54–12.80), K 2 O 0.26 (0.14–0.44), CaO 0.22 (0.10–0.43), TiO 2 0.58 (0.31–0.83), Nb 2 O 5 43.64 (36.43–49.90), SiO 2 26.87 (22.81–29.07), and H 2 O (calc.) 17.93, total 98.38 wt.% on the basis of 26 anions, corresponding to [(Nb 0.99 Ti 0.01 ) 1.00 O(H 2 O)] 3 (Si 2.00 O 7 ) 2 [(Na 0.86 0.10 K 0.02 Ca 0.01 ) 0.99 (H 2 O) 2 ] 3 or, ideally, [NbO(H 2 O)] 3 (Si 2 O 7 ) 2 [Na(H 2 O) 2 ] 3 . The presence of H 2 O in laurentianite is inferred from Raman spectroscopy and results from refinement of the crystal structure. The mineral crystallizes in space group P 3 (#143) with a 9.937(1), c 7.004(1) Å, V 599.0(1) Å 3 , and Z = 1. The strongest six lines on the X-ray powder-diffraction pattern [ d in Å (I) ( hkl )] are: 8.608 (100) (010), 7.005 (19) (001), 4.312 (25) (020), 3.675 (25) (201, 021), 3.260 (31) (120, 210), and 2.870 (20) (030). The crystal structure of laurentianite, refined to R = 2.78% for 2347 reflections ( F o 〉 4 F o ) contains one Na , two Nb , and four Si sites. The two Nb sites are coordinated in distorted Nb O 5 (H 2 O) octahedra, with four equatorial bonds of typical Nb–O bond distances (~2 Å) and two highly asymmetric ones (one long, ~2.5 Å and one short, ~1.8 Å). Each site is each only partially occupied (~50%) and because of the short distance between them (~0.7 Å), they are not simultaneously occupied. A novel cation-anion coordination scheme involving the apical oxygens, Nb, and disordered H 2 O groups is developed: when one of the Nb sites is occupied, the other is vacant, resulting in one of the apical O sites being occupied by O 2– and the other by H 2 O. The opposite situation occurs when the occupancy and vacancy of the Nb sites are reversed, leading to both apical O sites having an equal, mixed (O 2– /H 2 O) composition. A minor charge understaturation at both apical O sites is remedied by each of these O sites receiving a single H-bond from one of the H 2 O groups associated with the Na cation. The crystal structure of laurentianite is based on five-membered pinwheels of composition [Nb 3 Si 2 O 17 (H 2 O) 3 ] –11 , consisting of three Nb O 5 (H 2 O) octahedra linked to two SiO 4 tetrahedra. Individual Nb–Si pinwheels are attached to form a layer composed of 18-membered rings of composition [Nb 6 Si 12 O 54 (H 2 O) 6 ] 30– perpendicular to [001]. The crystal structure is also layered along [001], with a silicate layer composed of (Si 2 O 7 ) dimers and a layer of isolated Nb O 5 (H 2 O) octahedra. Sodium atoms are positioned within the silicate layer, occupying sites that almost directly overly the Nb sites but are displaced ~ z + 1/2. Laurentianite is a late-stage mineral intergrown with lepidocrocite, both of which overgrow franconite and quartz. The mineral is believed to have precipitated from a late-stage aqueous fluid enriched in Na, Si, and Nb, possibly arising through the breakdown of franconite, sodalite, and quartz.

Description: The new mineral whelanite, Cu 2 Ca 6 [Si 6 O 17 (OH)](CO 3 )(OH) 3 (H 2 O) 2 , was approved by the Commission on New Minerals and Mineral Names (IMA) in 1977, but until now a description has not been published. The mineral is orthorhombic with space group Pn 2 n and cell parameters a = 5.6551(4), b = 3.683(3), c = 27.1372(7) Å, V = 565.3(5) Å 3 , and Z = 1. The mineral occurs with thaumasite, stringhamite, and kinoite in a copper-rich, diopside–garnet–magnetite skarn at the Bawana mine, Beaver County, Utah, and has also been confirmed to occur at other localities. At the Bawana mine, it is found as irregular clusters and radial aggregates of platy to lath-like crystals up to 1 mm in length, flattened on {001} and elongated on [100]. The color and streak are pale blue and the luster is vitreous. The laths are flexible, but not elastic. Cleavage is perfect on {001} and good on {010}, producing splintery fracture. The Mohs’ hardness is about 21/2. The measured density is 2.74(3) g/cm 3 and the calculated density is 2.737 g/cm 3 based upon the empirical formula. The mineral is biaxial (–), α = 1.612(2), β = 1.622(calc), and = 1.626(2), and 2 V meas = 64(1)°. The pleochroism is weak: X = Y (pale blue) 〈 Z (light blue). The optical orientation is X = a , Y = c , Z = b . A combination of electron microprobe analyses and thermogravimetric analyses (for CO 2 and H 2 O) yielded: CaO 34.46, CuO 12.09, FeO 1.52, SiO 2 37.96, CO 2 5.93, H 2 O 8.86, total 100.82 wt%, providing the empirical formula (based on O = 26): Cu 1.41 Fe 0.20 Ca 5.68 Si 5.84 C 1.25 O 26 H 9.09 . Raman spectroscopy shows evidence of (CO 3 ) 2– , (OH) – , and H 2 O. The strongest powder X-ray diffraction lines are [ d ( hkl ) I ]: 6.79(004)52, 3.072(111)43, 3.013(112)100, 2.921(113)39, 2.802(114)45, 2.522(116,205)44, and 1.839(020,1.1.12)37. The crystal structure ( R 1 = 3.89% for 567 F o 〉 4 F ) contains two different types of polyhedral layers parallel to {001}, which alternate along [001] and are linked to one another by sharing corners with wollastonite-like silicate chains running parallel [010]. One polyhedral layer, consisting of edge-sharing CaO 7 polyhedra, is identical to that in the structures of the tobermorites (tobermorite 9Å, tobermorite 11Å, tobermorite 14Å, and clinotobermorite). The other layer is brucite-like, with alternating ribbons of edge-sharing Cu 2+ O 6 and CaO 6 octahedra. Disordered CO 3 and H 2 O groups are also located in the interlayer region. The crystal structure of whelanite exhibits OD character.

Description: The major and trace element geochemistry of mafic silicate minerals from alkaline pegmatites within the 10 ring sections of the Larvik plutonic complex, Oslo rift, southern Norway, have been studied to shed light on the complex evolutionary history of the pegmatites. Pyroxene compositions plot within the aegirine-diopside-hedenbergite ternary diagram, trending from the 50-50% Di-Hd tie line towards the 100% Ae endmember. Primary magmatic diopside and hedenbergite with minor aegirine occur primarily within miaskitic to low agpaitic pegmatites, with compositions ranging from Ae 3 Di 45 Hd 51 to Ae 89 Di 5 Hd 6 , whereas aegirine and aegirine-augite are the primary magmatic clinopyroxenes in agpaitic pegmatites, with compositions ranging from Ae 31 Di 27 Hd 42 to Ae 90 Di 6 Hd 4 . Secondary clinopyroxene, after amphibole or as a hydrothermal phase within fractures and vugs, is dominantly aegirine, with compositions ranging from Ae 59 Di 16 Hd 25 to Ae 99 Di 1 Hd 0 . Primary amphibole compositions are dominantly calcic (edenite, ferro-edenite, hastingsite, magnesio-hastingsite, pargasite, and ferro-pargasite), with less common late-stage sodic-calcic amphiboles (katophorite, magnesio-katophorite, ferro-richterite, and taramite); sodic amphiboles (ferro-ferri-nybøite, ferri-nybøite) are only observed in agpaitic pegmatites. All early pegmatite mafic minerals in low agpaitic pegmatites have negative Eu anomalies (Eu/Eu* = 0.16–0.26), positive Ce anomalies, and low Nb/Ta N and Y/Ho N ratios. Sodic mafic silicates in highly agpaitic pegmatites are HREE-enriched, with Ce/Yb N = 0.22–0.58 compared to Ce/Yb N 〉 1 for all other primary mafic phases, are strongly depleted in MREE, and have only slightly negative Eu anomalies (Eu/Eu* = 0.66–0.75). On the basis of major and trace element geochemistry, it can be concluded that miaskitic and alkaline pegmatites in Ring Sections 1–8 within the Larvik complex have been derived from the same parental melt, whereas pegmatites in Ring Sections 9 and 10 have a distinct geochemical signature, suggesting a separate source.

Description: The crystal chemistry of a unique Nb-Ti-rich thorite from Mont Saint-Hilaire (Quebec) has been examined by a combination of single crystal and powder X-ray diffraction, electron microprobe analyses, and Fourier-transform infrared spectroscopy. The average of 9 compositions gave (Th 0.21 Nb 0.20 Ti 0.18 Ca 0.13 Y 0.10 REE 0.09 Fe 0.03 Zr 0.01 Sr 0.01 Mn 0.01 K 0.01 Na 0 . 01 ) 1.00 [(Si 0.49 0.41 Al 0.08 P 0.01 S 0.01 ) 1.00 (O 2.33 F 0.02 )](OH) 1.70 . This is the first example in the literature of a zircon-group mineral containing elevated concentrations of Nb (0.20 apfu , 13.33 wt.% Nb 2 O 5 ) and Ti (0.19 apfu Ti, 7.41 wt.% TiO 2 ), and evidence for the (SiO 4 ) 4– (OH) 4 4– "hydrogarnet" substitution. The crystal structure was solved and refined to R = 3.40% and wR 2 = 9.73% for 68 reflections with F o 〉 4( F o ). The studied thorite is slightly metamict, tetragonal, space group I 4 1 / amd , with a 7.058(1) Å, c 6.2260(12) Å, V 310.15(11) Å 3 , and Z = 4. It is isostructural with other zircon-group minerals and has a unit cell which is 4% smaller than that of thorite sensu stricto , a result of the incorporation of high field-strength elements of smaller radii. The structure consists of one eight-coordinated metal site ( A = Th, Zr, U, REE, Y, Nb, Ti, etc. ), one tetrahedral site ( T ), one O site, and one variably-occupied H site. The A site is coordinated by four axial O atoms [ A –O axial = 2.428(5) Å] and four equatorial O atoms [ A –O eq = 2.322(6) Å], which define a bisdisphenoid with 〈 A –O〉 = 2.374 Å. The T site in MSH thorite is only partially occupied by Si (33% vacant) and coordinated by four O with T –O = 1.641(5) Å. A partially occupied H site (31%) is located 0.980 Å away from the O atom, forming (O 4 H 4 ) 4– groups when the T site is vacant. Removal of the center of symmetry in the structure allows for the possibility of the presence of bimodal T –O and A –O bond lengths, leading to both short Si–O bonds and longer –OH bonds, as well as the shorter A –O bonds required for Nb and Ti. Accommodation of Nb and Ti into the thorite structure may be facilitated by increased distortion of the A O 8 bisdisphenoid, relaxation and shortening of A –O bonds as a result of the (SiO 4 ) 4– (OH) 4 4– substitution, and the likely presence of defects (O vacancies) in regions which have undergone slight metamictization, resulting in short-range ordering of Nb, Ti, and Th. Although it is possible that a metastable, limited solid solution exists between thorite and (OH) 4 4– -dominant "thorogummite" with intermediate compositions defined by Th(SiO 4 ) 1 –x (OH) 4 x , reported compositions indicate otherwise and it is suggested that the name "thorogummite" be abandoned.

Description: Voyager 1 has entered regions of different propagation conditions for energetic cosmic rays in the outer heliosheath at a distance of about 111 AU from the Sun. The low energy 6–14 MeV galactic electron intensity increased by ~20% over a time period ≤10 days and the electron radial intensity gradient abruptly decreased from ∼19%/AU to ∼8%/AU at 2009.7 at a radial distance of 111.2 AU. At about 2011.2 at a distance of 116.6 AU a second abrupt intensity increase of ∼25% was observed for electrons. After the second sudden electron increase the radial intensity gradient increased to 18%/AU. This large positive gradient and the ∼13 day periodic variations of 〉200 MeV particles observed near the end of 2011 indicate that V1 is still within the overall heliospheric modulating region. The implications of these results regarding the proximity of the heliopause are discussed.