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Biomedical subjects

L J Fitzgerald

Publications and source records attributed to L J Fitzgerald.

At least 19 recordsLinked to original sources

Performing coolness: smoking refusal and adolescent identities.

The implications of smoking refusal for personal identity style were studied through conversations in six small focus groups or dyads of 13- and 14-year-old non-smokers from an urban New Zealand secondary school. The approach to analyzing their talk was informed by notions of 'performativity' and 'social space' to focus on the connections between identity and social relations. Smoking emerged as a key signifier of power and status. It was salient at both top and bottom ends of the social hierarchy depending upon the competence displayed in smoking as part of a larger ensemble of personal deportment and behavior. Being a non-smoker therefore inevitably carried connotations of being 'average' or 'in the middle', presenting non-smoking adolescents with the problem of accrediting themselves against superior 'smoker cool' groups. A discourse analytic approach was used to examine the resources and strategies participants brought to bear on this 'problem', which was then seen to be solved differently by boys and girls. Boys could establish alternatives to 'smoker cool' through physical activity, girls had little recourse but to accept their inferior status. The implications of this for health education and promotion are discussed.

Adolescent↗

Hydrogen bonding and C-H...O interactions in bis(8-dimethylamino-1-dimethylammonionaphthalene) [(DMANH+)2] 4,8-dicarboxynaphthalene-1,5-dicarboxylate dihydrate.

The title substance, 2C14H19N2+.C14H6O8(2-).2H2O, crystallized in the centrosymmetric space group P1 with one monopositive dimethylamine-dimethylammonio cation, half of a dinegative acid anion and one water molecule in the asymmetric unit, with the anion located on a center of symmetry. There are four intermolecular hydrogen bonds, of which three have Odonor...Oacceptor distances of 2.577 (1), 2.946 (2) and 2.764 (2) A, while the fourth has an Ndonor...Oacceptor distance of 3.154 (2) A. There is a single intramolecular hydrogen bond, in which the Ndonor...Nacceptor distance is 2.620 (2) A. In each case, the O, or N, and H atoms are ordered. The Ndonor-H distance in the intramolecular hydrogen bond, 1.06 (1) A, is among the shortest seen in this cation at room temperature. Moreover, the antiplanar orientation of the H atom in the hydrogen bond between acid anions is noteworthy. There are, in addition, 12 significant intermolecular C-H...O interactions. In these, the C...O distances range from 3.229 (2)-3.671 (2) A, while the C-H...O angles range from 121-165 degrees for the fixed H atoms involved. A three-dimensional network of hydrogen-bonding interactions is generated.

1-Naphthylamine↗

Network of C-H...O interactions in 1,2-naphthalenedicarboxylic anhydride.

The title substance, C12H6O3, crystallized in the centrosymmetric space group P2(1)/c with one molecule in the asymmetric unit. Four significant C-H...O interactions have C...O distances ranging from 3.313 (2) to 3.453 (2) A. They link each molecule directly to eight neighbors, generating a three-dimensional network. The anhydride group is compared with those in phthalic anhydride and 1,4,5,8-naphthalenetetracarboxylic 1,8:4,5-dianhydride.

Anhydrides↗

Dipotassium naphthalene-1,8-dicarboxylate-potassium bicarbonate.

The title substance, tripotassium naphthalene-1,8-dicarboxylate bicarbonate, 3K+.C12H6O4(2-).HCO3-, crystallized in the centrosymmetric space group Pbca. There is a single hydrogen bond. In it, the O and H atoms are ordered and OD...OA is 2.651 (3) A. There is a single significant intermolecular C-H...O interaction, with C...OA = 3.480 (5) A. Each potassium ion is coordinated by an irregular polyhedron of O atoms. These three polyhedra contain eight, eight and five members; each O atom is a member of at least two polyhedra. Structural comparisons are made with tetrapotassium naphthalene-1,4,5,8-tetracarboxylate hexahydrate.

Crystallography, X-Ray↗

Phenanthrene-4-carboxylic acid and 1,2-dihydrophenanthrene-4-carboxylic acid.

Phenanthrene-4-carboxylic acid, C15H10O2, crystallized in the centrosymmetric space group P2(1)/n, while 1,2-dihydrophenanthrene-4-carboxylic acid, C15H12O2, crystallized in the centrosymmetric space group Pbca. In each structure, there is a single type of hydrogen bond: it is of the cyclic dimer type about a center of symmetry. The Odonor...Oacceptor distances are 2.634 (2) and 2.651 (2) A, and the O-H...O angles are 176 (3) and 173 (2) degrees, respectively, for the two structures. In each structure, the carboxy H and O atoms are ordered. The phenanthrene core of the fully aromatic acid is roughly planar; the dihedral angle between the best-fit core plane and the carboxy group plane is 63.7 (1) degree. As expected, the hydrogenated ring of the second acid is much less nearly planar; the remaining naphthalenoid core is, however, roughly planar and the dihedral angle between this best-fit plane and the carboxy group plane is 60.4 (1) degree.

Carboxylic Acids↗

Phenolphthalein and 3',3"-dinitrophenolphthalein.

Phenolphthalein, C20H14O4, crystallized in the noncentrosymmetric space group Pna2(1) with two crystallographically inequivalent molecules. Each of these is linked to four others of its own type by four hydrogen bonds having Odonor...Oacceptor distances ranging from 2.631 (4) to 2.787 (4) A. While chains of hydrogen bonds propagate in a number of directions in this structure, cyclic hydrogen bonding is not observed. 3',3"-Dinitrophenolphthalein, C20H12N2O8, crystallized in the centrosymmetric space group Pbcn with a single molecule in the asymmetric unit. Each molecule is linked to three others by four hydrogen bonds having Odonor...Oacceptor distances ranging from 2.572 (4) to 3.274 (3) A. Although chains of hydrogen bonds are prominent in this structure, cyclic hydrogen bonding also occurs and forms dimers. As expected on the basis of the excess of potential acceptor O atoms over donors in both structures, significant C-H...O interactions are also abundant.

Cathartics↗

1,4,5,8-naphthalenetetracarboxylic acid cyclic 1,8-anhydride bis(dimethyl sulfoxide) solvate and 1,4,5,8-naphthalenetetracarboxylic 1,8:4,5-dianhydride.

1,4,5,8-Naphthalenetetracarboxylic acid cyclic 1,8-anhydride crystallized from dimethyl sulfoxide (DMSO) as the solvate, C14H6O7.2C2H6OS, in the centrosymmetric space group P1. Two O-H...O hydrogen bonds with O...O distances of 2.592 (3) and 2.598 (3) A are formed, with the two carboxylic acid OH groups as donors and the O atoms of the two inequivalent DMSO molecules as acceptors. The carboxylic H atoms are ordered, as are the carboxylic O atoms. In addition to the conventional hydrogen bonds, there are numerous C-H...O interactions consistent with the large number of potential CH donors and O-atom acceptors. 1,4,5,8-Naphthalenetetracarboxylic 1,8:4,5-dianhydride, C14H4O6, crystallized in the centrosymmetric space group P2(1)/c with half the molecule as the asymmetric unit. Each molecule is involved in four significant C-H...O interactions as a donor and in an additional four as an acceptor. These eight interactions link each molecule to six neighboring molecules, forming a three-dimensional network. Geometric parameters of both substances are in general agreement with analogous parameters for naphthalic anhydride, monosodium 1,4,5,8-naphthalenetetracarboxylic acid cyclic 1,8-anhydride monohydrate and 1,4,5,8-naphthalenetetracarboxylic 1,8:4,5-dianhydride, as reported previously.

Anhydrides↗

Phenanthrene-9-carboxylic acid.

The title compound, C15H10O2, crystallized in the centrosymmetric space group C2/c. Hydrogen bonding is of the cyclic dimer type about a center of symmetry. The carboxyl H and O atoms are ordered. The phenanthrene core is almost planar and the dihedral angle between the core plane and the carboxyl group plane is only 1.8(1) degrees. The bay H atoms, H4 and H5, lie close to the core plane and 2.02 (2) A from each other; the refinement places them on opposite sides of the core plane, but this result has little statistical significance.

Carboxylic Acids↗

Benzophenone-3,3',4,4'-tetracarboxylic acid dihydrate.

The title compound, C17H10O9,2H2O, crystallizes in the centrosymmetric space group P2(1)/a but does not exhibit strong eight-membered cyclic dimer hydrogen bonds about centers of symmetry or otherwise. A richly three-dimensional hydrogen-bonding network is observed, however, which arises from 19 hydrogen bonds per asymmetric unit; it includes a 14-membered cyclic dimer about about a center of symmetry and hydrogen-bonding rings of 18 and 30 members involving the acid molecule and a water molecule, both also about centers of symmetry. The carboxyl H and O atoms are ordered in each of the carboxyl groups. The configuration of the benzophenone core is quite similar to that in benzophenone itself and the configuration of the adjacent carboxyl groups is quite similar to that in phthalic acid and naphthalene-2,3-dicarboxylic acid.

Benzophenones↗

Anthracene-1-carboxylic acid.

The title compound, C15H10O2, was found to crystallize in the centrosymmetric space group P2(1)/n. The hydrogen bonding is of the cyclic dimer type about a center of symmetry. The carboxyl O atoms are ordered as is the carboxyl H atom. The anthracene core, while less nearly planar, shows good agreement with the anthracene cores of anthracene-9-carboxylic acid and anthracene-1,6-dicarboxylic acid. The carboxyl group plane makes a dihedral angle of 12.4 (2) degrees with the best-fit anthracene core plane.

Anthracenes↗

Interwoven hydrogen-bonding networks in benzene-1,3,5-triacetic acid.

The title compound, C12H12O6, crystallized in the centrosymmetric space group P21/n. Each molecule is hydrogen bonded to four others by ten hydrogen bonds forming a three-dimensional network. Two sets of such networks, which are not linked, comprise the structure. The carboxyl O atoms are ordered, as are the carboxyl H atoms. The best-fit acetic acid group planes make dihedral angles of 84.3 (1), 89.8 (2) and 58.0 (2) degrees with the best-fit benzene core plane.

Acetates↗

Anthracene-9-carboxylic acid.

Anthracene-9-carboxylic acid, C15H10O2, was found to crystallize in the centrosymmetric space group P2(1)/n. The hydrogen bonding is of the cyclic-dimer type about a center of symmetry. The carboxyl O atoms are ordered, as is the carboxyl H atom. The anthracene core is almost planar and shows good agreement with the anthracene core of anthracene-1, 8-dicarboxylic acid. The carboxyl group plane makes a dihedral angle of 54.87 (6) degrees with the best-fit anthracene core plane.

Anthracenes↗

Analysis of urinary progesterone metabolites with behavioral correlation in Guenther's dik-dik (Madoqua guentheri).

Urine samples and behavioral data were collected from nine adult female Guenther's dik-dik (Madoqua guentheri) from September 1989-November 1992. The durations of predefined individual behaviors were recorded during focal sampling periods and ad libitum. Immunoreactive pregnanediol-3-glucuronide (PdG) concentration in dik-dik urine was determined by radioimmunoassay. The immunoreactive PdG radioimmunoassay was validated for use with dik-dik by determining parallelism [F(alpha=0.05,1,4) = 0.04) between a serially diluted PdG standard and serially diluted dik-dik urine. Behavioral estrus was manifested by lordosis. Eighty-nine percent of the estrous behavior occurred during or within 2 days of the interluteal phase period, as delineated by immunoreactive PdG concentrations; thus, a high degree of correlation between hormone concentrations and behavioral data was observed. The mean (+/-SD) luteal phase, interluteal phase, and estrous cycle lengths were 14.4+/-5.5 days (range, 6-29 days; n = 50), 6.6+/-5.1 days (range, 2-33 days; n = 50), and 20.2+/-6.6 days (range, 10-43 days; n = 48), respectively. During the collection period, one animal conceived, with a gestation period of 170 days. Estrous cyclicity occurred throughout the year, with no evidence of seasonality. Cochromatography of pooled urine samples with radiolabeled PdG indicated that the major progesterone metabolite detected by the immunoreactive PdG antibody during luteal phase and pregnancy was not PdG. This is the first detailed description of female dik-dik reproductive endocrine activity.

Animals↗

2-Naphthoic acid at 153 K.

The structure of 2-naphthoic acid, C11H8O2, has been investigated at 153 K in order to determine the degree of disorder of the carboxylic acid group for comparison with that of the room-temperature structure. Analysis of the anisotropic displacement ellipsoids of the carboxyl-O atoms demonstrated that these parameters are wholly consistent with thermal motion of the O atoms. A model with ordered carboxyl-O atoms, but with the acid-H atom refined at two sites with 0.5 occupancy at each, was found to be statistically significantly better than a model with ordered carboxyl-O atoms and an ordered acid-H atom. Thus, as in the room-temperature study, the best structural description is that the O atoms are ordered and the acid-H atom is disordered. Nonetheless, comparisons of the geometric parameters of the carboxyl groups at 296 and 153 K suggest progress toward a fully ordered structure at the lower temperature. Except for the expected slight overall contraction and the slightly altered geometry of the carboxyl group, the structure is virtually the same as at room temperature.

Crystallography, X-Ray↗

Anthracene-1,8-dicarboxylic acid.

Anthracene-1,8-dicarboxylic acid, C16H10O4, crystallized in the noncentrosymmetric space group P2(1)2(1)2(1). The carboxyl H and O atoms are ordered. The carboxyl groups make angles of 13.9 (2) and 21.6 (2) degrees with the best-fit core plane and the average distance of the core atoms from this plane is 0.018 (12) A. The anthracene core displays near twofold symmetry. Each molecule is involved in cyclic-dimer hydrogen bonding with two other molecules so as to form zigzag chains of hydrogen-bonded molecules which are not cross-linked with one another. These discrete chains are separated from each other by C...C, C...H and H...H closest approaches.

Anthracenes↗

Dicalcium 1,4,5,8-naphthalenetetracarboxylate pentahydrate.

In the title structure, the 1,4,5,8-naphthalenetetra-carboxylate anion possesses 2/m symmetry with the twofold axis coincident with the central C--C bond of the naphthalene rings. The ten atoms comprising the naphthalene core have a mean deviation of 0.033 A from the best least-squares plane describing these atoms, with the carboxyl C atom 0.395 (2) A removed from the plane. The dihedral angle between the carboxylate plane and the least-squares plane of the naphthalene rings is 46.2 (3) degrees. The O--C--O angle of the carboxylate group, 121.13(12) degrees, is smaller than normally expected, presumably due to the bidentate interaction with the Ca ion. The Ca ion is coordinated by eight O atoms: six carboxylate O atoms and two water O atoms. Because the Ca ion resides on a twofold axis there are only four independent Ca--O distances, which are in the range 2.368 (1)-2.681 (1)A. In this structure, the organic anions are separated by Ca ions and water molecules such that there are no short-range organic-organic interactions. One of the water molecules separating the organic anions is not involved in coordination with Ca, and is disordered.

Crystallography, X-Ray↗

Redetermination of the structures of 1-naphthoic acid and 2-naphthoic acid.

The structures of 1-naphthoic acid and 2-naphthoic acid have been investigated in order to determine the degree of disorder of the carboxylic acid groups. 1-Naphthoic acid was found to be completely ordered with C--O bond lengths of 1.214 (3) and 1.312 (3) A, and C--C--O bond angles of 124.8 (2) and 114.2 (2) degrees. 2-Naphthoic acid was found to possess a significant degree of disorder with C--O bond lengths of 1.256 (3) and 1.274 (3) A, and C--C--O bond angles of 117.7 (2) and 119.1 (2) degrees. In 2-naphthoic acid, the acid H atom was refined at two sites with 0.5 occupancy at each. Analysis of the anisotropic displacement ellipsoids of the acid O atoms for each structure demonstrated that these parameters are consistent with thermal motion of the O atoms. These results indicated that the proton, but not the O atoms, is disordered in the carboxylic acid group of 2-naphthoic acid. In each structure, the acid molecules form cyclic dimers about inversion centers, with an O...O(acceptor) distance of 2.653 (3) in 1-naphthoic acid and 2.618 (3) A in 2-naphthoic acid. The cyclic dimers form layers in each of these structures wherein lateral closest intermolecular approaches to the acid O atoms are from ring H atoms. The intermolecular O...H close approaches, together with the intramolecular close approaches, are very uniform in distance and angle of approach for the two O atoms in the 2-naphthoic acid structure.(ABSTRACT TRUNCATED AT 250 WORDS)

Carboxylic Acids↗

Structure of diphenanthro[1,2-b;2',1'-d]-furan at 191 K.

Diphenanthro[1,2-b;2',1'-d]furan crystallizes in space group Pnma (No. 62) with the mirror plane bisecting the molecule and passing through the furan O atom. Although exhibiting packing similar to that of dibenzofuran, this diphenanthrofuran showed no disorder of the sort found in that close molecular analog. The C atoms of the individual phenanthrene rings of the title compound have a mean deviation of 0.027 (21) A from the best least-squares plane describing the rings. The configuration and conformation of the individual phenanthrene rings in this diphenanthrofuran closely match the theoretical and experimental results for phenanthrene itself. Overall, this diphenanthrofuran molecule adopts a distinct V shape, the dihedral angle between the least-squares best-fit planes of the phenanthrene rings being 11.0 (1.2) degrees.

Chemical Phenomena↗