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Chemical preparation and x-ray characterization of a new compound hexaaqua-1,3-diammoniumpropane cobalt(II) nitrate, Co(H2O)6 [C3H12N2] (NO3)4 are reported. This mixed organo-mineral compound crystallizes in the orthorhombic system with Cmcm space group. The unit cell dimensions are: a = 10.795(7), b = 11.969(4), c = 14.685(5) Å, Z = 4 and V = 1897.5(12) Å3. The structure was solved using the direct method and refined to reliability R-factor of 0.036 using 2554 independent reflections. In this atomic arrangement the different species built a three-dimensional network. [ABSTRACT FROM AUTHOR]

Chemical preparation, crystal structure, thermal analysis, IR absorption, and NMR studies are given for a new hybrid organic-inorganic compound, the (2,6-dimethyanilinium) dihydrogenophosphate monohydrate [C8H12N]H2PO4·H2O. This compound crystallizes in a triclinic P=1 unit-cell, with a = 7.392(5) Å, b = 8.323(3) Å, c = 10.306(5) Å, α = 95.769 (4)°, β = 102.642 (3)°, γ = 113.498(2)°, V = 554.88(5) Å3, and Z = 2. Its crystal structure is determined and refined to R = 0.040 with 1942 independent reflections. The atomic arrangement can be described by inorganic layers built by H2PO4- anions, and H2O molecules with which the organic molecules perform different interactions to form a stable 3D network. Solid state 31P and 13C CP-MAS-NMR spectroscopies are in agreement with the X-ray structure. [ABSTRACT FROM AUTHOR]

Chemical preparation, crystal structure, and NMR spectroscopy of a new monophosphate with 2,3-dichloroanilinium cation are given. This new compound crystallizes in the monoclinic system, with the space group P21/n and the following parameters: a = 11.031 (6), b = 6.007(3), c = 15.227(2) Å β = 98.98(4), V = 996.73(3) Å3, and Z = 4. The crystal structure has been determined and refined to R = 0.048 and Rw = 0.1317 using 2030 independent reflections. The structure can be described as clusters that aggregate with six organic molecules, resulting in a (1 0 [image omitted]) two dimensional sheet, and formation of arrays in three dimensions, via various interactions (H-bonds, electrostatic, Van der Waals). In addition, C─Cl...π interactions are observed as a consequence of the chlorine atom being flanked by two phenyl rings of the neighboring molecules. The structure has also short intermolecular Cl...Cl interactions [type I, Cl...Cl = 3.380(1) Å, C─Cl...Cl' = 132.26°]. This compound has also been investigated by IR, thermal analysis, and solid-state 13C and 31P MAS NMR spectroscopy combined with Ab Initio calculations. [ABSTRACT FROM AUTHOR]

Abstract: A new organic templated metallophosphate, [Zn(H2PO4)2(HPO4)][C7H17N2] (denoted in the following ZnP-AMEP), has been synthesized hydrothermally using 2-aminomethyl,1-ethylpyrrolidine (AMEP) as a structure-directing agent. The structure, determined by single crystal X-ray diffraction, exhibits a parallel arrangement (along the direction) of infinite chains, built from (Zn2P2O12) four-membered rings sharing ZnO4 tetrahedra, interconnected together by strong hydrogen bonds to form a sheet-like architecture and with chains of extending along [100] at y =1/2 to form a 3D anionic network. To the best of our knowledge, the compound ZnP-AMEP represents the first organic templated metallophosphate in which the four-membered rings interact with chains of dihydrogenophosphate. Intra-chain and inter-chain P–OH⋯O hydrogen bonds help to establish the crystal packing and form apertures, wherein the amine molecules are located. Similarities and differences with other organic templated metallophosphates are briefly discussed for the title compound. Ab initio calculations allow the attribution of phosphorus and carbon solid-state NMR signals to the independent crystallographic sites and to the various atoms of the organic groups. Additional characterizations of the compound have also been performed by IR spectroscopy and TG–DTA analyses. [Copyright &y& Elsevier]

Among the various categories of phosphates, the number of organic cation cyclotriphosphates remains limited. In this work, we report the chemical preparation, crystal structure, thermal analysis, and spectroscopic investigations of a new cyclotriphosphate [C8H11NH3]3P3O9·3H2O. It is characterized by X-ray diffraction, infrared spectroscopy, nuclear magnetic resonance, and thermal analysis. This compound is a triclinic P unit cell with the following parameters: a = 13.949(4), b = 9.867(3), c = 14.180(2) Å, α = 92.22(2), β = 119.27(2), γ = 85.10(10)°, V = 1696.1(8) Å3, and Z = 2. Its structure has been determined and refined to R = 0.041 and Rw = 0.062, using 4527 independent reflections. The atomic arrangement can be described by corrugated thick layers built by [P3O9]3- anions, ammonium groups, and water molecules. The organic entities are located between these layers. H-bonds connecting the different species play an important role in the tridimensionnal network cohesion. This compound is also characterized by infrared spectroscopy, nuclear magnetic resonance, and thermal analysis. [ABSTRACT FROM AUTHOR]

Abstract: A new two-dimensional zinc phosphate, [Zn2.5(HPO4)2(PO4)][C6N2H10]·5H2O (denoted in the following as ZnP-2AMP), with alternating inorganic and organic layers has been synthesized hydrothermally using 2-aminomethylpyridine (2AMP) as the structure-directing agent. This compound represents the first structure with a Zn/P ratio of 5/6. The structure of this compound, determined by single crystal X-ray diffraction, consists of anionic parallel [Zn2.5(HPO4)2(PO4)(H2O)2]2− sheets built up from ZnO4, ZnO2(H2O)4, PO4 and HPO4, alternating with thick slabs of organic molecules (C6H10N2)2+ and water molecules, the octahedral ZnO2(H2O)4 being enclosed in each [4682122] cage. The organic cations are linked to the anionic sheets through hydrogen bonds. Solid-state 13C and 31P MAS NMR spectroscopies are in agreement with the X-ray structure. Ab initio calculations allow the partial attribution of phosphorus and carbon signals to the independent crystallographic sites and to the various atoms of the organic groups. Additional characterization of the compound has also been performed by IR spectroscopy and TG-DTA analyses. [Copyright &y& Elsevier]

Along a systematic study of open-framework materials aiming at producing new molecular sieves, we characterized a new zincophosphate Zn(HPO 4 )Cl[C 4 H 10 N]. It was synthesized under mild conditions (r.t.) in the presence of pyrrolidinium as an organic-structure directing agent. The structure of this compound, determinated by single crystal X-ray diffraction, consists of anionic parallel [Zn(HPO 4 )Cl] - sheets alternating with thick slabs of organic molecules (C 4 H 10 N) + . These latters are linked to the anionic sheets through hydrogen bonds. Zn(HPO 4 )Cl[C 4 H 10 N] crystallizes in the monoclinic system and the space group C2/c (No. 9) with cell parameters a = 24,83(9), b = 9,258(5), c = 8.778(3), β = 110,45(4), Z = 8, V = 1891.0(14) Åt 3 , R = 0.045, and R w = 0.07. Solid state 31 P and 13 C MAS NMR spectroscopies are in agreement with the X-ray structure. [ABSTRACT FROM AUTHOR]

Abstract: Chemical preparation, crystal structure and NMR spectroscopy of a new organic cation p-phenylenediammonium monophosphate [p-NH3C6H4NH3][H2PO4]2 are presented. This new compound crystallizes in the orthorhombic system, with the space group Pnma and the following parameters: a =7.970 (2)Å; b =22.770 (7)Å; c =7.000 (7)Å, V =1270.3 (11)Å3, Z =4 and D x =1.590gcm−3. The crystal structure has been determined and refined to R =0.043 and R (w) =0.057 using 2623 independent reflections. The structural arrangement can be described as inorganic layers of (H8P4O16)4− units, parallel to (a, c) planes. The organic groups (p-H3NC6H4NH3)2+are anchored between the phosphoric layers to form a three-dimensional infinite network. This compound is also investigated by IR and solid-state 1H, 13C and 31P MAS NMR spectroscopies. The ab initio method is used in the calculation of chemical shifts. [Copyright &y& Elsevier]

Crystal growth and characterization by X-ray diffraction and NMR spectroscopy of a new p-phenylenediamonium diphosphate [p-NH 3 C 6 H 4 NH 3 ] H 2 P 2 O 7 are reported. This compound crystallizes in a triclinic unit cell P1 with the parameters a = 7.130(3), b = 9.047(3), c = 9.350(2) Å, α = 133.44(2)°, β = 95.02(2)°, γ = 107.11(4)°, Z = 2, V = 514.3(15) Å 3 , and D x = 1.848 g.cm - 3 . The crystal structure has been solved and refined to R = 0.0273, using 3678 independent reflections. The atomic arrangement is build up by infinite ribbons of [H 2 P 2 O 7 ] 2- anions, extending along the a-direction at y = 1/2. Between these ribbons are located the p-phenylenediammonium entities, which form hydrogen bonds N─H...O with some external oxygen atoms of phosphoric groups. Crystallographic results are correlated with that of the solid state 13 C and 31 P MAS NMR spectroscopy. [ABSTRACT FROM AUTHOR]

A new adduct 4-benzyl piperidinium dihydrogenphosphate monophosphoric acid [C 12 H 16 NH 2 ] 2 (H 2 PO 4 ) 2 H 3 PO 4 , has been prepared and analyzed by X-ray diffraction. This adduct compound cristallizes in the monoclinic system, with the acentric space group P2 1 and the following unit-cell parameters: a = 13.103(3), b = 8.737(4), c = 13.620(3) Å, β = 92.38(2)°, Z = 2, and V = 1557.8(7) Å[3]. The crystal structure has been solved and refined to R = 0.059 and R (w) = 0.069 using 3306 independent reflections. Its structure can be described as inorganic layers of H 3 PO 4 and H 2 PO 4 - entities separated by organic molecules. In this atomic arrangement, H-bonds between the different species play an important role in the tridimensionnel network cohesion. Solid-state 13 C and 31 P MAS NMR spectroscopies are in agreement with the X-ray structure. Ab initio calculations allow the attribution of phosphorus and carbon signals to the independent crystallographic sites and to the various atoms of the organic groups. [ABSTRACT FROM AUTHOR]

Abstract: A novel organic–inorganic hybrid complex [(2-NH2CH2C5H4N)ZnCl3] has been hydrothermally synthesized and characterized by single crystal X-ray diffraction, thermal analysis and spectroscopic studies. The compound crystallizes in the triclinic system, space group , a =7.5339(9), b =7.589(2), c =9.365(2) Å, α =104.55(2)°, β =97.22(1)°, γ =87.88(2)°, V =513.6(2), Z =2. In the title compound the 2-aminomethylpyridine acts as a ligand covalently linked to Zn(II) cation to form a slightly distorted ZnCl3N tetrahedral environment. Each [Zn(C6H8N2)Cl3] unit is connected to one neighbor by a pair of hydrogen bonds between the apical chlorides and amine hydrogen atoms and to the other by a couple of π–π stacking interactions between the aromatic rings of the coordinated ligands forming a novel one-dimensional chain-like arrangement. The title complex is the first one that contains both coordinated and hydrogen bonded 2-aminomethylpyridine. Solid state 13C and 15N CP-MAS-NMR spectroscopies are in agreement with the X-ray structure. Ab initio calculations allow the attribution of carbons and nitrogen to the independent crystallographic sites. The Raman spectroscopy confirmed the presence of Zn–Cl and Zn–N bonds. [Copyright &y& Elsevier]

Abstract: Chemical preparation, crystal structure, calorimetric and spectroscopic investigations (IR and RMN) are given for a new non-centrosymmetric organic-cation dihydrogen phosphate–arsenate [H2(C4H10N2)][H2(As, P)O4]2. This compound is triclinic P1 with the following unit-cell parameters: a =7.082(2)Å, b =7.796(1)Å, c =12.05(3)Å, α =95.37(2)°, β =98.38(3)°, γ =62.98(1)°, Z =2, V =586.2(1)Å3 and D x =1.836gcm−3. The crystal structure has been solved and refined to R =0.03 using 2328 independent reflections. The structure can be described as infinite (H2XO) n chains spreading parallel to the b direction. These chains are themselves interconnected by a set of NO hydrogen bonds generated by the organic entities, alternating with the chains. Solid-state 13C, 15N and 31P MAS NMR spectroscopies are in agreement with the X-ray structure. [Copyright &y& Elsevier]

A new zincophosphate [H3N(CH2)2NH3]0.5Zn (HPO4)Cl, was obtained at room temperature from a starting mixture of ZnCl2, H3PO4, H2O, and ethylene-diamine. Its unit cell is tricline P-1 (No. 2) with parameters a = 7.709(2) Å, b = 8.479(2) Å c = 5.175(2) Å, α = 104.99(3), β = 107.41(4), γ = 87.34(2), Z = 2, and V = 311.6(2) ų. Its structure is resolved to R = 0.024, Rw = 0.037. The backbone of the title compound is a linear heteroanion built by PO4 and ZnO3Cl tetrahedra assembled to farm four member rings themselves interconnected by sharing common oxygen atoms. Hydrogen bonds O--H…O established between these chains connect them as to build infinite planes. The organic entities, located between these planes form the 3D cohesion through N--H…O or N--H…Cl hydrogen bonds. [ABSTRACT FROM AUTHOR]

Chemical preparation, calorimetric studies, crystal structure and spectroscopic investigations are given for a new noncentrosymmetric organic cation monophosphate [2,5-(CH3)2C6H3NH3]H2PO4. This compound is orthorhombic P212121 with the following unit-cell parameters: a=5.872(4), b=20.984(3), c=8.465(1) Å, Z=4, V=1043.0(5) Å3 and Dx=1.396 g cm-3. Crystal structure has been solved and refined to R=0.048 using 2526 independent reflections. Structure can be described as an inorganic layer parallel to (a, b) planes between which organic groups [2,5-(CH3)2C6H3NH3]+ are located. Multiple hydrogen bonds connecting the different entities of compound thrust upon three-dimensional network a noncentrosymmetric configuration. [Copyright &y& Elsevier]

[C4N2H12]2HP3O10·H2O, a new hydrate organic cation monohydrogeno-triphosphate, has been synthesized and characterized by X-ray diffraction, IR spectroscopy, mass angle spinning (MAS), NMR, and thermal analysis. The title compound crystallizes in a monoclinic unit cell with a=11.072(5), b=12.324(2), c=13.122(5)Å,β=93.85(5)°, Z=4, V=1787(1)Å3, and a noncentrosymmetric space group P21(no. 4). Crystal structure is determined and refined to R=0.057 using 4262 independent reflections. The atomic arrangement can be described as a typical layers organization. Layers built by HP3O104-anions and water molecules are parallel to the (a, b) planes. Between these layers the piperazinium cations, which form hydrogen bonds with oxygen atoms of the triphosphate anion, are located. [ABSTRACT FROM AUTHOR]

The aim of encapsulation of 2,3-dimethylanilinium cation in (H2XO4)n polymeric anion chains is to build acentric frameworks that are efficient for non-linear optical (NLO) applications. The synthesis and structures of two new inorganic–organic NLO crystals with general formula (2,3-(CH3)2C6H3NH3)H2XO4 (X=P, As) are reported. The magnitude of their second harmonic generations (SHG) responses was found to be between the KDP and urea. They crystallize with monoclinic unit-cells and are isotopic. We have determined the structure of phosphoric salt. The following unit-cell parameters were found: a=8.866(3) Å, b=5.909(6) Å, c=10.644(5) Å, β=112.44(1)°, V=515.5(5) Å3 and DX=1.412 g cm-3. The space group is P21 with Z=2. The structure was refined with R=0.041 (Rw=0.057) for 1652 reflections with I≥3σ(I). It exhibits infinite (H2PO4)nn- chains. The organic groups (2,3-(CH3)2C6H3NH3)+ are anchored between adjacent polyanions through multiple hydrogen bonds. Chemical preparation, crystal structure, calorimetric and spectroscopic investigation are described. [Copyright &y& Elsevier]

Chemical preparation and characterization by X-ray diffraction, IR, and NMR spectroscopies and thermal analysis of a new o-ethylphenylammonium triphosphate [2-C2H5C6H4NH3]3H2P3O10 are reported. This compound crystallizes in a monoclinic unit cell P21/n with the parameters: a=17.670(1)Å, b=8.558(8)Å, c=20.100(2) Å, β=100.39(6)°, Z=4, and V=2990(4) Å3. Crystal structure has been solved and refined to R=0.041 using 6857 independent reflections. In this atomic arrangement, layers built by H2P3O103- groups are developed along (1 0 -1) direction. Between these layers are located the o-ethylphenylammonium entities which form hydrogen bonds with some external oxygen atoms of phosphoric groups. [Copyright &y& Elsevier]

A new layered zinc-phosphate Zn(HPO4)Cl·[H3N(CH2)6NH3]0.5 was synthesized in acidic conditions at room temperature. It crystallizes in monoclinic space group C2/c (No. 15) with the lattice parameters a=21.826(3) A˚, b=9.452(7) A˚, c=8.780(1) A˚, β=109.36(8)°, V=1708.83(1) A˚3, Z=8, R=0.036, Rw=0.047. The structure of this compound is determined by X-ray diffraction and characterized with IR, TGA-DTA/DSC and NMR. The structure consists of inorganic layers, built by PO4 and ZnO3Cl tetrahedra interconnected by common oxygen atoms. The organic entities, located between these layers, perform the 3D cohesion through N&z.sbnd;H···O or N&z.sbnd;H···Cl hydrogen bonds. [Copyright &y& Elsevier]

Chemical preparation, crystal structure, calorimetric studies and spectroscopic investigation are given for a new organic cation dihydrogenomonophosphate [3,5-(CH3O)2C6H3NH3]2(H2PO4)2. This compound is triclinic P1 with the following unit cell parameters: a=9.030(6) A˚, b=16.124(5) A˚, c=8.868(3) A˚, α=75.04(3)°, β=110.71(4)°, γ=104.61(1)°, Z=4, V=1148.0(1) A˚3, Z=2 and ρcal.=1.454 g cm−3. Crystal structure was solved and refined to R=0.04, 2752 independent reflections. The atomic arrangement can be described as inorganic layers of H2PO4− anions parallel to y=SHAPE="SOL" ALIGN="C" STYLE="S">12 planes, between which are located the organic groups. Solid-state 13C and 31P MAS-NMR spectroscopies are in agreement with the X-ray structure. Ab initio calculations allow the attribution of the phosphorous and carbon signals to the independent crystallographic sites and to the various atoms of the organic groups. [Copyright &y& Elsevier]

Purpose. – To review the radiotherapy department experience in treating primitive spinal cord ependymomas (PSCE), analyse prognostic factors and provide treatment recommendations regarding literature review.Methods and material. – Sixteen patients with PSCE received postoperative radiotherapy between 1972 and 1997. There were 10 male and 6 female patients with a mean age of 34 years (range 2–63). Surgery was gross total resection in 2 cases, subtotal resection in 9, biopsy in 4 and of unknown type in one patient. All patients were treated with radiotherapy to the craniospinal axis (4 cases), spinal cord (1 case) and to the site of primary tumour in 11 cases.Results. – Five year-survival rate was 73%. Two patients had recurrent tumours within the primary site. Gender, extent of surgery and treatment field extent were not prognostic factors. Histologic type was the only variable predictive of outcome. Patients with myxopapillary type had a 5-year survival rate of 100% compared with 47% for those with other histology types.Conclusion. – We conclude that aggressive surgery is not necessary in the management of PSCE, localised field radiotherapy is associated with favourable outcome, and tumour grade is an important prognostic factor. [Copyright &y& Elsevier]

Objectif de l’étude Le traitement des cancers palpébraux repose sur la chirurgie et/ou la radiothérapie. L’objectif de notre étude était d’évaluer les résultats de la radiothérapie dans le traitement des cancers palpébraux. Matériel et méthode Nous avons revu rétrospectivement les dossiers de 108 patients traités par irradiation pour des cancers palpébraux, entre 1989 et 2011. Nous avons relevé les données cliniques, histopathologiques, les caractéristiques du traitement, la tolérance et le contrôle de la maladie. La survie sans rechute loco-régionale et la survie globale ont été analysées par la méthode de Kaplan-Meier. Résultats L’âge moyen des patients était de 61 ans [15–87 ans]. La localisation la plus fréquente était le canthus interne (42,6 %). La taille tumorale moyenne était de 21 mm [4–70 mm]. Le type histologique le plus fréquent était le carcinome basocellulaire (81,5 %). Cinquante-huit tumeurs (53,7 %) étaient de stade T1-2 et 50 (46,3 %) de stade T3-4. La radiothérapie était exclusive dans 62 % des cas et postopératoire pour des marges insuffisantes dans 38 %. Soixante-trois tumeurs (58 %) ont été prises en charge par contact thérapie, 37 (34 %) par curiethérapie, et huit (8 %) par électrons. La dose totale délivrée était de 70 Gy, à raison de 2 Gy par fraction, dans 34 % des cas, 66 Gy,, à raison de 2 Gy par fraction, dans 58 % et 61,2 Gy, à raison de 3,4 Gy par fraction dans 8 %. Avec un suivi médian de 64 mois, nous avons noté cinq récidives locales (4,6 %). Aucune des tumeurs n’a récidivé localement après une curiethérapie. Les probabilités de sur sans récidive et de survie globale étaient respectivement à 5 ans de 95 et 97 %. Le stade T était un facteur prédictif de rechute locale ( p = 0,001). Les complications tardives les plus fréquentes étaient le larmoiement (16 % des cas) et la sécheresse oculaire (2 %). Conclusion La radiothérapie, et particulièrement la curiethérapie, permet un bon taux de contrôle local des cancers palpébraux, avec un faible taux de complications. [ABSTRACT FROM AUTHOR]

Two new mononuclear complexes, [Cu2Cl1.23(NO3)0.77(Ampy)4(H2O)4](NO3)2·4H2O (I) and [CdI2(Ampy)2] (II) (Ampy = 4-amino-6-methoxypyrimidine) have been synthesized and characterized by single crystal X-ray diffraction studies (CCDC nos. 2023331 (I), 2023331 (II)) at 295 K for (I) and 100 K for (II). The structure of the Cu(II) complex shows that the Cu(II) central atom is five-coordinated with a distorted square pyramidal geometry. In compound (II) the Cd(II) cations are tetracoordinated with a distorted tetrahedral fashion. Intermolecular interactions were investigated by Hirshfeld surfaces. Electronic properties such as HOMO and LUMO energies were derived. [ABSTRACT FROM AUTHOR]

The physicochemical properties of a new organic cyclohexaphosphate, [5-Cl-2,4-(OCH3)2C6H2-NH3]6P6O18·4H2O, are discussed on the basis of an X-ray crystal structure investigation. This compound crystallizes in the monoclinic space group C2/c, with cell parameters a = 37.987(7) Å, b = 13.125(4) Å, c = 14.331(5) Å, β = 98.21(3)°, Z = 4, V = 7072(3) Å3. Its crystal structure is determined and refined to a final R = 0.058 for 5223 independent reflections. The atomic arrangement can be described as a layer organization built up by P6O18 ring anions and water molecules. Between these layers, the organic groups are located that form hydrogen bonds with oxygen atoms of P6O18 rings and water molecules. Intermolecular π-π stacking interactions between two neighboring organic cation rings help to establish the crystal packing. Solid 31P MAS-NMR spectroscopy is in agreement with X-ray structure. Ab initio calculations allow the attribution of the three phosphorus signals to the independent crystallographic sites. This compound is also characterized by thermal analysis and IR spectroscopy. Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file. [ABSTRACT FROM AUTHOR]

Abstract: Purpose: The aim of this study is to analyze the results and the complications of radiotherapy in the treatment of retinoblastoma. Patients and methods: Between 1994 and 2004, 40 children received radiotherapy for a retinoblastoma in Salah Azaiz Institute. The average age of the patients was 36 months (four to 132 months). There were 16 girls and 24 boys. Sixteen children presented a bilateral disease and 24 children a unilateral disease. Twenty eyes and thirty-six orbital cavities in 40 children with retinoblastoma were treated by radiotherapy. One child with a unilateral anterior retinoblastoma was treated with 106 ruthenium brachytherapy. External radiotherapy has been used to treat the 39 patients. In 20 cases the irradiation was conservative and in 36 cases postoperatively. The latter (n =36) presented at least one risk factor of relapses noted in the histological examination. The average dose was 44 Gy (1.8 to 2Gy per fraction, five fractions weekly). This radiotherapy was associated with chemotherapy in 24 cases. Results: Thirty-five children were followed with an average follow-up of 53 months (3–108 months). The average delay of relapses was of 10 months (two to 26 months). We found four orbital relapses and seven metastasis in nine children. The conservation of the eye with a useful visual field was noted in 18 cases among the 20 conservative irradiated eyes. The major therapeutic complication was the growth defect of the bones face. A femoral bone sarcoma was noted five years after the end of the irradiation and chemotherapy in one case. Conclusion: If the radiotherapy offers the advantage of the functional conservation and the improvement of the local control, its indications are more and more restricted in favor of the other therapeutic methods (chemotherapy, thermochemotherapy) and this considering the iatrogene risk. The development of new techniques of brachytherapy and the progresses of the conformational radiotherapy appear to reduce considerably this risk. [Copyright &y& Elsevier]

Abstract: The synthesis and structure of a new adduct with the [2-NH2-6-CH3- C4H3N2O]2HPO4 formula is described. This compound crystallizes in the triclinic space group . The unit cell parameters are: a =7.679(1)Å, b =9.883(2)Å, c =10.217(3)Å, α =83.36(2)°, β =79.48(5)°, γ =80.34(4)°, V =748.7(1)Å3, and Z =2. The crystal structure was solved and refined to R =0.037, using 2241 independent reflections. The atomic arrangement of this compound is built up by (H4P2O8)2− dimers. Each dimer aggregates with organic molecules to form an open framework architecture like through hydrogen bond interactions. Solid-state 13C and 31P MAS NMR spectroscopies are in agreement with the X-ray structure. [Copyright &y& Elsevier]

Physicochemical properties of a new organic cation triphosphate, [2,3-(CH3)2C6H3 NH3]4HP3O10.2H2O, are discussed on the basis of X-ray crystal structure investigation. This compound crystallizes in a triclinic unit cell P1 with the parameters: a = 11.963(6) Å, b = 9.858(6) Å, c = 16.205(7) Å, α = 95.50(4)°, β = 95.21(4)°, γ = 89.07(4)°, V = 1894.4(16) Å3, Z = 2, and Dx = 1.365 g.cm- 3. Crystal structure has been solved and refined to R = 0.074 using 3766 independent reflections. In this atomic arrangement, layers built by HP3O104 - groups are developed in (a, b) planes at z = 1/2. Between these layers the 2,3-dimethylphenylammonium entities are located, which form hydrogen bonds with some external atoms of the phosphoric groups. A characterization of this compound by solid-state 13C and 31P MAS NMR, IR spectroscopy and thermal analysis is also reported. [ABSTRACT FROM AUTHOR]

The crystal synthesis and structure of a new organic dihydrogenmophosphate [1-(2,3-(CH3)2-C6H3)C4H10N2]H2PO4 are reported. This compound crystallizes in the monoclinic P21/n with a = 7.545(2) Å, b = 26.315(4) Å, c = 7.798(6) Å, β = 115.01(4)°, V = 1403.0(1) Å3, and Z = 4. Crystal structure was solved and refined to R = 0.046, using 1981 independent reflections. It can be described by inorganic layers including the H2PO4- anions and the NH2+ ammonium groups parallel to (a, c) planes and situated at y = 1/4 and y = 3/4. The interlayer spacing is occupied by the organic molecules which perform different interactions around the 3D network cohesion. A characterization of this compound by solid-state 13C and 31P MAS NMR and ATG is also reported. [ABSTRACT FROM AUTHOR]

Abstract: Chemical preparation, crystal structure and NMR spectroscopy of a new organic cation 5-chloro(2,4-dimethoxy)anilinium monophosphate H2PO4 are given. This new compound crystallizes in the monoclinic system, with the space group P21/c and the following parameters: a =5.524(2)Å, b =9.303(2)Å, c =23.388(2)Å, β =90.66(4), V =1201.8(2)Å3, Z =4 and D x =1.573gcm−3. Crystal structure has been determined and refined to R =0.031 and R w =0.080 using 1702 independent reflections. Structure can be described as an infinite (H2PO4) n n− corrugated chains in the a-direction. The organic groups (5-Cl-2,4-(OCH3)2C6H2NH3)+ are anchored between adjacent polyanions through multiple hydrogen bonds. This compound is also investigated by IR, thermal, and solid-state, 13C, 31P MAS NMR spectroscopies. [Copyright &y& Elsevier]

Abstract: A chlorozincophosphate of the composition Zn(HPO4)Cl·[C4H10NO] has been synthesised under mild condition water medium in the presence of morpholine as organic template. Its unit cell is monoclinic P2 1/a with parameters a =8.655(6)Å, b =9.302(5)Å, c =12.180(5)Å, β =101.10(4)°, Z =4 and V =962.1(9)Å3. The structure was determinated by single crystal X-ray diffraction. The structure involves a network of ZnO3Cl and PO3(OH) tetrahedra forming macroanionic inorganic layers with four- and eight-membered rings. Charge balance is achieved by the protonated amine which is trapped in the interlayers space and interacts with the organic framework through hydrogen bonding. Solid state 31P and 13C MAS-NMR spectroscopies are in agreement with the X-ray structure. [Copyright &y& Elsevier]

The synthesis and structure of a new adduct with formula: (8-NH2—C9H6NH)2(H2PO4)2H3PO4⋅H2O is reported. It crystallizes with triclinic unit cell. The following unit cell parameters were found: a = 9.371(2), b = 11.112(2), c = 13.340(2)Å, α = 96.78(6)°, β = 97.34(5)°, γ = 113.90(3)°, V = 1273.7(6)Å3 and ρcal = 1.565g cm-3 Crystal structure was solved with a final R = 0.041 for 3982 independent reflections. The space group is P-1 and Z = 2. The atomic arrangement can be described as wide pseudo-hexagonal channels including the organic entities. Solid-state 13C and 31P MAS-NMR spectroscopies are in agreement with the X-ray structure. Ab initio calculations allow the attribution of the phosphorous signals to the three independent crystallographic sites. [Copyright &y& Elsevier]

A new crystal of 2-amino-3-methylpyridinium dihydrogenmonophosphate has been prepared and characterized by X-ray crystallography, thermal analysis, and impedance and NMR spectroscopies. This compound crystallizes in the triclinic space group P with a = 7.343(2) Å, b = 7.987(2) Å, c = 8.116(4) Å, α = 77,62(3)°, β = 77,74(3)°, γ = 87,03(2)°, V = 454.3 (3)Å 3 , and Z = 2. The crystal structure was solved and refined to R = 0.030 with 1602 independent reflections. The atomic arrangement can be described as (H 2 PO 4 - ) n polymeric chains anchoring the 2-amino-3-methylpyridinium cations through short hydrogen bonds. All ring atoms of the organic entity are coplanar. The exocyclic N atom is an electron receiving center, which is consistent with features of imino resonance evidenced by bond lengths and angles. Solid state 31 P, 13 C, and 15 N CP-MAS-NMR spectroscopies are in agreement with the X-ray structure. Ab initio calculations allow the attribution of carbons and nitrogen to the independent crystallographic sites. [ABSTRACT FROM AUTHOR]

The synthesis and structures of two new compounds with the general formula N(C 2 H 4 NH 3 ) 3 (H 2 TO 4 )(HTO 4 )·2H 2 O (T = P, As) are reported. They crystallize with triclinic unit cells and are isotropic. We determined the structure of phosphate salt. The following unit cell parameters were found: a = 9.886(4), b = 9.308(2), c = 10.140(3) Å, a = 109.38(2), ß = 108.83(3), ? = 74.40(3)°, V = 819.2(5) Å 3 , and ? cal. = 1.537 g · cm -3 . The crystal structure was solved with a final R = 0.042 for 3748 with I > 3s I). The space group is P-1 and Z = 2. The atomic arrangement can be described as a three-dimensional network of hydrogen bonds made up from H n PO 4 3- n (n = 1, 2) anions and H 2 O molecules between which are trapped the tris(2-ammoniumethyl)amine cations. Solid-state 13 C and 31 P MAS-NMR spectroscopies are in agreement with X-ray structure. Ab initio calculations allow the attribution of the phosphorus signals to the independent crystallographic sites. [ABSTRACT FROM AUTHOR]

Abstract: A new crystal of 2-amino-3-methylpyridinium dihydrogenomonoarsenate has been prepared and characterized by X-ray crystallography, thermal analysis and spectroscopic studies. This compound crystallizes in the triclinic space group with a =7.2689 (2)Å, b =8.0975 (2)Å, c =8.3969 (4)Å, α =77.09 (3)°, β =79.20 (3)°, γ =88.16 (2)°, V =473.19 (3)Å3, Z =2. The crystal structure was solved and refined to R =0.027 with 3375 independent reflections. The atomic arrangement can be described as (H2AsO4 −) n polymeric chains anchoring the 2-amino-3-methylpyridinium cations through short hydrogen bonds. All the ring atoms of the organic entity are coplanar. The exocyclic N atom is an electron receiving center, which is consistent with features of imino resonance evidenced by bond lengths and angles. Solid-state 13C and 15N CP-MAS-NMR spectroscopies are in agreement with the X-ray structure. Ab initio calculations allow the attribution of carbons and nitrogen to the independent crystallographic sites. [Copyright &y& Elsevier]

Chemical preparation, crystal structure, calorimetric, and spectroscopic investigations are given for a new organic-cation dihydrogenomonophosphate, (4-C2H5C6H4NH3)H2PO4 in the solid state. This compound crystallizes in the orthorhombic space group Pbca with the following unit cell parameters: a=8.286(3) A˚, b=9.660(2) A˚, c=24.876(4) A˚, Z=8, V=1991.2(7) A˚3, and DX=1.442 g cm−3. Crystal structure was solved with a final R=0.054 for 3305 independent reflections. The atomic arrangement coaled described as H2PO4− layers between which are located the 4-ethylanilinium cations. [Copyright &y& Elsevier]

The new organic cyclohexaphosphate (C6H7ClFN)4 (Li)2(P6O18)(H2O)4, has been synthesized at room temperature by an acid/base reaction between H6P6O18 and 3-chloro-4-fluoroaniline as an organic template. The crystal structure of (C6H7ClFN)4 (Li)2(P6O18)(H2O)4 was solved by single crystal X-ray diffraction analysis. A double head-to-head layer of cations is formed by hydrophobic interactions. Hirshfeld surface analysis reveals the nature of intermolecular contacts of the title compound. The contacts enrichment ratio shows that both strong electrostatic interactions and hydrophobic contacts are overrepresented. This hybrid material was then characterized by 1H, 13C, 31P, 15N and 19F solid-state NMR and IR spectroscopies. Electrical conductivity was also studied using impedance spectroscopy and results showed that the conductivity at 105 °C was equal to 96.5 × 10−4 S.cm−1. Antioxidant properties of this compound were studied, in vitro, at various concentrations with different tests; 1,1-diphenyl-2-picrylhydrazyl (DPPH), ferric reducing power (FRAP), Trolox equivalent antioxidant capacity (TEAC) or ABTS+, using 6-hydroxy-2,5,7,8-tetramethylchroman-2-carboxylic acid (Trolox) as control. [ABSTRACT FROM AUTHOR]

Dominance hierarchies structure the adult social networks of many mammals. To identify the conditions that support the establishment of stable hierarchical relationships within groups of familiar rivals, we explored the ontogeny of spatial, social and communicative behaviour among male northern elephant seals, Mirounga angustirostris. We demonstrate that as male seals reach sexual maturity, they increase residency time ashore and restrict fine-scale movement patterns within the breeding colony. This spatiotemporal overlap creates a predictable social environment in which repeated interactions promote greater social connectivity between older individuals. Moreover, as males become physically and behaviourally mature, their ritualized vocal displays transition from highly variable calls to stable and unique individual acoustic signatures, supporting recognition between familiar competitors. The developmental onset of reliable signature calls – along with concurrent changes in space occupancy – coincide with the formation of stable, structured dominance relationships among top-level competitors. These findings advance our understanding of the ontogeny of social behaviour under conditions of extreme competition. • We explored spatial, social and communicative behaviour in male elephant seals. • Subadults (<6 years) showed high variability in spatial, social and vocal behaviour. • Adults had long residency times, small home ranges and familiar adult competitors. • Adult vocal displays were stable and individually unique, facilitating recognition. [ABSTRACT FROM AUTHOR]

Abstract: We report three cases of Hodgkin''s disease (HD) involving the nasopharynx. Their clinical presentations, morphological and immunohistochimical features and their therapy modalities are discussed. The patients were aged 36, 41 and 77, presenting with increasing bilateral nasal obstruction in one case and a cervical mass in the two others. Histological study showed mixed cellularity type of HD in all cases. The Reed Sternberg cells expressed both of CD15 and CD30 in one case, and only one of them in the other cases. In one case, LMP1 was detected, CD20 and CD3 were not. HD of nasopharynx should be differentiated from EBV-associated lymphoproliferations. The treatment is based on radiotherapy that can be associated to neoadjuvant chemotherapy if nodes are involved. [Copyright &y& Elsevier]

Abstract The new organic-inorganic compound, (C 9 H 14 N) 2 [SnCl 6 ], has been synthesized and characterized by single-crystal X-ray diffraction at room temperature. Structural analysis indicates that this compound crystallizes in the monoclinic system with C2/m space group. The N H⋯Cl hydrogen bonds between (C 9 H 14 N)+ cations and [SnCl 6 ]2- dianions contribute to the cohesion and the stability of the atomic arrangement. Hirshfeld surface analysis was used to investigate intermolecular interactions, as well 2D finger plots were conducted to reveal the contribution of these interactions in the crystal structure quantitatively. Furthermore, the room temperature Infrared (IR) spectrum of the title compound was analyzed on the basis of data found in the literature. The optical properties of the crystal were studied using optical absorption UV–visible and photoluminescence (PL) spectroscopy, which were investigated at room temperature exhibited one band at 237 nm and a photoluminescence emission at 407 nm. Experimental room-temperature X-ray studies were supported by theoretical methods using the DFT/B3LYP methods with the LanL2DZ basis set. The X-ray powder is in agreement with the X-ray structure. To determine molecular electrical transport properties we studied the energy difference between Occupied, HOMO, and Lowest Unoccupied, LUMO orbitals. Moreover, this compound was characterized by thermal analysis between 300 and 750 K and shows that the compound remains stable up to the temperature 383 K. Finally, X-ray photoelectron spectroscopy (XPS) analysis is reported to determine the degree of oxidation of tin in this compound and analyze the surface chemistry of (C 9 H 14 N) 2 [SnCl 6 ]. Graphical abstract Image 1 Highlights • The crystal structure is built by alternating organic and inorganic entities. • The optical properties were studied by UV–visible, photoluminescence and XPS study. • This compound was characterized by thermal analysis between 300 and 750 K. [ABSTRACT FROM AUTHOR]

Abstract A novel hybrid material, [C 10 H 22 N 2 ] 3 ·PbCl 5 ·3Cl·3H 2 O, has been synthesized and its structure was determined by single-crystal X-ray diffraction. In the atomic arrangement, the different entities are held together through N H⋯Cl, O H⋯Cl and O H⋯O hydrogen bonds to form a three-dimensional network. Intermolecular interactions were investigated by Hirshfeld surfaces. The powder XRD data confirms the phase purity of the crystalline sample. The resulting IR spectrum calculated by the DFT/B3LYP/LanL2DZ method, is similar to the experimental spectrum allowing a good correlation between the experimental and theoretical wavenumbers. The optical properties in the UV–visible region have been explored by the UV–visible absorption. The photoluminescence (PL) spectroscopy, which was investigated at room temperature, exhibited one emission at 426 nm. Thermal analysis discloses a phase transition at 435 K and the decomposition of the sample starts from 554 K. Graphical abstract Image 1 Highlights • The entities [C 10 H 22 N 2 ]2+ and [PbCl 5 ]3- ions are interconnected by means of hydrogen bonding contacts, forming a three-dimensional network. • The vibrational frequencies were also predicted from the calculated intensities by DFT method. • The optical properties were studied by UV–visible absorption and photoluminescence study. • This compound was characterized by thermal analysis between 300 and 750 K. [ABSTRACT FROM AUTHOR]

An investigation of the solid-state X-ray structure of the new organic–inorganic compound [C5H14N2]2PbCl6·3H2O shows a layered organization of the (PbCl6)4– anions, with (R2NH2)+ groups and water molecules developed in the [001] plane at x = (2n + 1)/4. The crystal structure is stabilized by N − H···Cl, N − H···O, O − H···Cl, O − H···O, and C − H···Cl hydrogen bonds. The powder X-ray diffraction and X-ray photoelectron spectroscopic (XPS) analyses confirm the phase purity of the crystal sample. The intermolecular contacts are quantified using the Hirshfeld surfaces computational method. The major inter-contacts contributing to the Hirshfeld surfaces are H...Cl, H...H, and O...H. The vibrational modes were identified and assigned by IR and Raman spectroscopies. The optical properties were investigated by UV–visible and photoluminescence spectroscopic studies. The compound was characterized by thermal analysis to determine its thermal behavior with respect to the temperature. Finally, X-ray photoelectron spectroscopy analysis is reported for analyzing the surface chemistry of [C5H14N2]2PbCl6·3H2O. [ABSTRACT FROM AUTHOR]