bluuebunny/crossref_metadata_2025 huggingface dataset:
Cell wall biosynthesis and the molecular mechanism of plant enlargement
Authors: Boyer John S.
Published: May 2009

Recently discovered reactions allow the green alga Chara corallina (Klien ex. Willd., em. R.D.W.) to grow well without the benefit of xyloglucan or rhamnogalactan II in its cell wall. Growth rates are controlled by polygalacturonic acid (pectate) bound with calcium in the primary wall, and the reactions remove calcium from these bonds when new pectate is supplied. The removal appears to occur preferentially in bonds distorted by wall tension produced by the turgor pressure (P). The loss of calcium accelerates irreversible wall extension if P is above a critical level. The new pectate (now calcium pectate) then binds to the wall and decelerates wall extension, depositing new wall material on and within the old wall. Together, these reactions create a non-enzymatic but stoichiometric link between wall growth and wall deposition. In green plants, pectate is one of the most conserved components of the primary wall, and it is therefore proposed that the acceleration-deceleration-wall deposition reactions are of wide occurrence likely to underlie growth in virtually all green plants. C. corallina is one of the closest relatives of the progenitors of terrestrial plants, and this review focuses on the pectate reactions and how they may fit existing theories of plant growth.
Structure of the complex of a mitotic kinesin with its calcium binding regulator
Authors: Vinogradova Maia V. , Malanina Galina G. , Reddy Anireddy S. N. , Fletterick Robert J.
Published: May 2009

Much of the transport, tension, and movement in mitosis depends on kinesins, the ATP-powered microtubule-based motors. We report the crystal structure of a kinesin complex, the mitotic kinesin KCBP bound to its principal regulator KIC. Shown to be a Ca
2+
sensor, KIC works as an allosteric trap. Extensive intermolecular interactions with KIC stabilize kinesin in its ADP-bound conformation. A critical component of the kinesin motile mechanism, called the neck mimic, switches its association from kinesin to KIC, stalling the motor. KIC denies access of the motor to its track by steric interference. Two major features of this regulation, allosteric trapping and steric blocking, are likely to be general for all kinesins.
Clioquinol and pyrithione activate TRPA1 by increasing intracellular Zn
2+
Authors: Andersson David A. , Gentry Clive , Moss Sian , Bevan Stuart
Published: May 2009

The antifungal and amoebicidal drug clioquinol (CQ) was withdrawn from the market when it was linked to an epidemic of subacute myelo-optico-neuropathy (SMON). Clioquinol exerts its anti-parasitic actions by acting as a Cu/Zn chelator and ionophore. Here we show that local injections of CQ produce mechanical hyperalgesia and cold hypersensitivity through a mechanism involving TRPA1 in mice. We also show that CQ activates TRPA1 in a Zn
2+
-dependent manner. Using a different Zn
2+
-ionophore, zinc pyrithione (ZnPy), we demonstrate that low, nanomolar concentrations of intracellular Zn
2+
([Zn
2+
]
i
) stimulate TRPA1. Direct application of Zn
2+
to the intracellular face of excised, inside-out patches activates TRPA1 with an EC
50
value of 7.5 ± 1 nM. TRPA1 is expressed in a subpopulation of nociceptive dorsal root ganglion (DRG) neurons, where it acts as a sensory receptor for environmental irritants and oxidants. Using cultured DRG neurons from wild-type and TRPA1-deficient mice, we demonstrate that TRPA1 is the principal excitatory receptor for increased [Zn
2+
]
i
in DRG neurons. In conclusion, we have discovered that TRPA1 acts a sensor of intracellular Zn
2+
, and that Zn
2+
ionophores, such as CQ and ZnPy, activate TRPA1 by increasing [Zn
2+
]
i
. We also demonstrate that CQ-evoked mechanical hyperalgesia and cold allodynia require TRPA1 in vivo.
An engineered lipocalin specific for CTLA-4 reveals a combining site with structural and conformational features similar to antibodies
Authors: Schönfeld D. , Matschiner G. , Chatwell L. , Trentmann S. , Gille H. , Hülsmeyer M. , Brown N. , Kaye P. M. , Schlehuber S. , Hohlbaum A. M. , Skerra A.
Published: May 2009

Biomolecular reagents that enable the specific molecular recognition of proteins play a crucial role in basic research as well as medicine. Up to now, antibodies (immunoglobulins) have been widely used for this purpose. Their predominant feature is the vast repertoire of antigen-binding sites that arise from a set of 6 hypervariable loops. However, antibodies suffer from practical disadvantages because of their complicated architecture, large size, and multiple functions. The lipocalins, on the other hand, have evolved as a protein family that primarily serves for the binding of small molecules. Here, we show that an engineered lipocalin, derived from human Lcn2, can specifically bind the T cell coreceptor CTLA-4 as a prescribed protein target with subnanomolar affinity. Crystallographic analysis reveals that its reshaped cup-like binding site, which is formed by 4 variable loops, provides perfect structural complementarity with this “antigen.” Furthermore, comparison with the crystal structure of the uncomplexed engineered lipocalin indicates a pronounced induced-fit mechanism, a phenomenon so far considered typical for antibodies. By recognizing the same epitope on CTLA-4 that interacts with the counterreceptors B7.1/B7.2 on antigen-presenting cells the engineered Lcn2 exhibits strong, cross-species antagonistic activity, as evidenced by biological effects comparable with a CTLA-4-specific antibody. With its proven stimulatory activity on T cells in vivo, the CTLA-4 blocking lipocalin offers potential for immunotherapy of cancer and infectious disease. Beyond that, lipocalins with engineered antigen-binding sites, so-called Anticalins, provide a class of small (≈180 residues), structurally simple, and robust binding proteins with applications in the life sciences in general.
Atomic structure of a folate/FAD-dependent tRNA T54 methyltransferase
Authors: Nishimasu Hiroshi , Ishitani Ryuichiro , Yamashita Koki , Iwashita Chikako , Hirata Akira , Hori Hiroyuki , Nureki Osamu
Published: May 2009

tRNAs from all 3 phylogenetic domains have a 5-methyluridine at position 54 (T54) in the T-loop. The methyl group is transferred from
S
-adenosylmethionine by TrmA methyltransferase in most Gram-negative bacteria and some archaea and eukaryotes, whereas it is transferred from 5,10-methylenetetrahydrofolate (MTHF) by TrmFO, a folate/FAD-dependent methyltransferase, in most Gram-positive bacteria and some Gram-negative bacteria. However, the catalytic mechanism remains unclear, because the crystal structure of TrmFO has not been solved. Here, we report the crystal structures of
Thermus thermophilus
TrmFO in its free form, tetrahydrofolate (THF)-bound form, and glutathione-bound form at 2.1-, 1.6-, and 1.05-Å resolutions, respectively. TrmFO consists of an FAD-binding domain and an insertion domain, which both share structural similarity with those of GidA, an enzyme involved in the 5-carboxymethylaminomethylation of U34 of some tRNAs. However, the overall structures of TrmFO and GidA are basically different because of their distinct domain orientations, which are consistent with their respective functional specificities. In the THF complex, the pteridin ring of THF is sandwiched between the flavin ring of FAD and the imidazole ring of a His residue. This structure provides a snapshot of the folate/FAD-dependent methyl transfer, suggesting that the transferring methylene group of MTHF is located close to the redox-active N5 atom of FAD. Furthermore, we established an in vitro system to measure the methylation activity. Our TrmFO-tRNA docking model, in combination with mutational analyses, suggests a catalytic mechanism, in which the methylene of MTHF is directly transferred onto U54, and then the exocyclic methylene of U54 is reduced by FADH
2
.
Sanfilippo syndrome type B, a lysosomal storage disease, is also a tauopathy
Authors: Ohmi Kazuhiro , Kudo Lili C. , Ryazantsev Sergey , Zhao Hui-Zhi , Karsten Stanislav L. , Neufeld Elizabeth F.
Published: May 2009

Sanfilippo syndrome type B (mucopolysaccharidosis III B, MPS III B) is an autosomal recessive, neurodegenerative disease of children, characterized by profound mental retardation and dementia. The primary cause is mutation in the
NAGLU
gene, resulting in deficiency of α-
N
-acetylglucosaminidase and lysosomal accumulation of heparan sulfate. In the mouse model of MPS III B, neurons and microglia display the characteristic vacuolation of lysosomal storage of undegraded substrate, but neurons in the medial entorhinal cortex (MEC) display accumulation of several additional substances. We used whole genome microarray analysis to examine differential gene expression in MEC neurons isolated by laser capture microdissection from
Naglu
−/−
and
Naglu
+/−
mice. Neurons from the lateral entorhinal cortex (LEC) were used as tissue controls. The highest increase in gene expression (6- to 7-fold between mutant and control) in MEC and LEC neurons was that of
Lyzs
, which encodes lysozyme, but accumulation of lysozyme protein was seen in MEC neurons only. Because of a report that lysozyme induced the formation of hyperphosphorylated tau (P-tau) in cultured neurons, we searched for P-tau by immunohistochemistry. P-tau was found in MEC of
Naglu
−/−
mice, in the same neurons as lysozyme. In older mutant mice, it was also seen in the dentate gyrus, an area important for memory. Electron microscopy of dentate gyrus neurons showed cytoplasmic inclusions of paired helical filaments, P-tau aggregates characteristic of tauopathies—a group of age-related dementias that include Alzheimer disease. Our findings indicate that the Sanfilippo syndrome type B should also be considered a tauopathy.
Hsp90 inhibitor PU-H71, a multimodal inhibitor of malignancy, induces complete responses in triple-negative breast cancer models
Authors: Caldas-Lopes Eloisi , Cerchietti Leandro , Ahn James H. , Clement Cristina C. , Robles Ana I. , Rodina Anna , Moulick Kamalika , Taldone Tony , Gozman Alexander , Guo Yunke , Wu Nian , de Stanchina Elisa , White Julie , Gross Steven S. , Ma Yuliang , Varticovski Lyuba , Melnick Ari , Chiosis Gabriela
Published: May 2009

Triple-negative breast cancers (TNBCs) are defined by a lack of expression of estrogen, progesterone, and HER2 receptors. Because of the absence of identified targets and targeted therapies, and due to a heterogeneous molecular presentation, treatment guidelines for patients with TNBC include only conventional chemotherapy. Such treatment, while effective for some, leaves others with high rates of early relapse and is not curative for any patient with metastatic disease. Here, we demonstrate that these tumors are sensitive to the heat shock protein 90 (Hsp90) inhibitor PU-H71. Potent and durable anti-tumor effects in TNBC xenografts, including complete response and tumor regression, without toxicity to the host are achieved with this agent. Notably, TNBC tumors respond to retreatment with PU-H71 for several cycles extending for over 5 months without evidence of resistance or toxicity. Through a proteomics approach, we show that multiple oncoproteins involved in tumor proliferation, survival, and invasive potential are in complex with PU-H71-bound Hsp90 in TNBC. PU-H71 induces efficient and sustained downregulation and inactivation, both in vitro and in vivo, of these proteins. Among them, we identify downregulation of components of the Ras/Raf/MAPK pathway and G
2
-M phase to contribute to its anti-proliferative effect, degradation of activated Akt and Bcl-xL to induce apoptosis, and inhibition of activated NF-κB, Akt, ERK2, Tyk2, and PKC to reduce TNBC invasive potential. The results identify Hsp90 as a critical and multimodal target in this most difficult to treat breast cancer subtype and support the use of the Hsp90 inhibitor PU-H71 for clinical trials involving patients with TNBC.
Paradigmatic and extraparadigmatic morphology in the mental lexicon
Authors: Niemi Jussi , Laine Matti , Järvikivi Juhani
Published: May 2009

The present study discusses psycholinguistic evidence for a difference between paradigmatic and extraparadigmatic morphology by investigating the processing of Finnish inflected and cliticized words. The data are derived from three sources of Finnish: from single-word reading performance in an agrammatic deep dyslectic speaker, as well as from visual lexical decision and wordness/learnability ratings of cliticized vs. inflected items by normal Finnish speakers. The agrammatic speaker showed awareness of the suffixes in multimorphemic words, including clitics, since he attempted to fill in this slot with morphological material. However, he never produced a clitic — either as the correct response or as an error — in any morphological configuration (simplex, derived, inflected, compound). Moreover, he produced more nominative singular errors for case-inflected nouns than he did for the cliticized words, a pattern that is expected if case-inflected forms were closely associated with their lexical heads, i.e., if they were paradigmatic and cliticized words were not. Furthermore, a visual lexical decision task with normal speakers of Finnish, showed an additional processing cost (longer latencies and more errors on cliticized than on case-inflected noun forms). Finally, a rating task indicated no difference in relative wordness between these two types of words. However, the same cliticized words were judged harder to learn as L2 items than the inflected words, most probably due to their conceptual/semantic properties, in other words due to their lack of word-level translation equivalents in SAVE languages. Taken together, the present results suggest that the distinction between paradigmatic and extraparadigmatic morphology is psychologically real.
Does s now man prime plastic snow?
Authors: Gagné Christina L. , Spalding Thomas L. , Figueredo Lauren , Mullaly Allison C.
Published: May 2009

Three experiments were conducted to determine the extent to which relational and morphosyntactic information influence the processing of modifier-noun phrases. Processing of the target was faster when the shared constituent was in the same position in both the prime and the target, regardless of whether the relation was the same or different. In contrast, relation priming was contingent on the morphosyntactic role of the shared constituent; repeating the relation with the constituent in a different morphosyntactic role did not speed processing of the target (Experiments 1–3) whereas repeating the relation with the constituent in the same role did speed processing (Experiments 3). These results suggest that conceptual information is accessed in light of the constituent’s particular morphosyntactic role.
Levels of regularity in inflected word form processing
Authors: Scharinger Mathias , Reetz Henning , Lahiri Aditi
Published: May 2009

How do speakers process phonological opacities resulting from stem allomorphy in regularly inflected word forms? We advocate a model which holds that these stem allomorphs are derived from a single, abstract lexical representation and do not require multiple access routes. Consequently, phonologically transparent and opaque forms are accessed alike. We tested our claims with four priming experiments (cross-modal and intra-modal), using German strong (irregular), weak (regular), and mixed verbs as a test case. Our hypothesis is that in spite of stem vowel alternations, strong verbs have single underspecified stems, while mixed verbs have two competing representations, reflecting both strong and weak inflectional properties. We conclude that phonological representations rather than morphological verb classes govern stem access.
Imageability x phonology interactions during lexical access
Authors: Westbury Chris , Moroschan Gail
Published: May 2009

Although many studies have demonstrated the effects of imageability and phonological neighborhood size, few have examined if these factors interact. Strain, Patterson, and Seidenberg (1995) explained an imageability effect in naming low-frequency exception words (only) as being due to a slowing of orthographic-to-phonological mapping for these words, which allowed semantics to have an effect. Tyler, Voice, and Moss (2000) showed an interaction between imageability and phonological cohort size in word repetition. Westbury and Buchanan (2006) found an interaction between imageability and phonology using an auditory false memory paradigm that measured the false recognition rate for phonological associates of semantically primed words. They explained the finding in terms of a greater reliance of abstract than concrete words on phonological representations. In this paper we test three related hypotheses: that the imageability x phonology interaction should be modulated by modality; that measures of phonological processing fluency should predict the size of the interaction; and that concrete and abstract words should show a systematic difference in number of phonological neighbours. We find support for all three hypotheses, suggesting that the interaction between imageability and phonology reflects a difference in the representation of abstract and concrete words in the lexicon.
Primitive computations in speech processing
Authors: Endress Ansgar D. , Mehler Jacques
Published: May 2009

Previous research suggests that artificial-language learners exposed to quasi-continuous speech can learn that the first and the last syllables of words have to belong to distinct classes (e.g., Endress & Bonatti, 2007; Peña, Bonatti, Nespor, & Mehler, 2002). The mechanisms of these generalizations, however, are debated. Here we show that participants learn such generalizations only when the crucial syllables are in edge positions (i.e., the first and the last), but not when they are in medial positions (i.e., the second and the fourth in pentasyllabic items). In contrast to the generalizations, participants readily perform statistical analyses also in word middles. In analogy to sequential memory, we suggest that participants extract the generalizations using a simple but specific mechanism that encodes the positions of syllables that occur in edges. Simultaneously, they use another mechanism to track the syllable distribution in the speech streams. In contrast to previous accounts, this model explains why the generalizations are faster than the statistical computations, require additional cues, and break down under different conditions, and why they can be performed at all. We also show that that similar edge-based mechanisms may explain many results in artificial-grammar learning and also various linguistic observations.
Constituent order and semantic parallelism in online comprehension: Eye-tracking evidence from German
Authors: Knoeferle Pia , Crocker Matthew W.
Published: May 2009

Reading times for the second conjunct of and-coordinated clauses are faster when the second conjunct parallels the first conjunct in its syntactic or semantic (animacy) structure than when its structure differs (Frazier, Munn, & Clifton, 2000; Frazier, Taft, Roeper, & Clifton, 1984). What remains unclear, however, is the time course of parallelism effects, their scope, and the kinds of linguistic information to which they are sensitive. Findings from the first two eye-tracking experiments revealed incremental constituent order parallelism across the board—both during structural disambiguation (Experiment 1) and in sentences with unambiguously case-marked constituent order (Experiment 2), as well as for both marked and unmarked constituent orders (Experiments 1 and 2). Findings from Experiment 3 revealed effects of both constituent order and subtle semantic (noun phrase similarity) parallelism. Together our findings provide evidence for an across-the-board account of parallelism for processing and-coordinated clauses, in which both constituent order and semantic aspects of representations contribute towards incremental parallelism effects. We discuss our findings in the context of existing findings on parallelism and priming, as well as mechanisms of sentence processing.
The 36th Sir Frederick Bartlett Lecture: An associative analysis of spatial learning
Authors: Pearce John M.
Published: May 2009

The ability of animals to find important goals in their environment has been said to require a form of learning that is qualitatively different from that normally studied in the conditioning laboratory. Such spatial learning has been said to depend upon the construction of a global representation of the environment, and the acquisition of knowledge about the position of goals with reference to this representation is said to be unaffected by the presence of other cues or landmarks. To evaluate the first of these claims, experiments are described that investigated the extent to which the effects of training in one environment transfer to another. To evaluate the second claim, experiments are described that investigated whether cue competition effects normally found in conditioning studies can be found in spatial tasks. Overall, the results indicate that most of the phenomena of spatial learning can be explained by the principles of associative learning. The implications of the reported results for an understanding of the neural mechanisms of spatial learning are considered.
Clostridium difficile Infection in Ohio Hospitals and Nursing Homes During 2006
Authors: Campbell Robert J. , Giljahn Lynn , Machesky Kim , Cibulskas-White Katie , Lane Lisa M. , Porter Kyle , Paulson John O. , Smith Forrest W. , McDonald L. Clifford
Published: May 2009

Context.

Healthcare data suggest that the incidence and severity of Clostridium difficile infection (CDI) in hospitals are increasing. However, the overall burden of disease and the mortality rate associated with CDI, including the contribution from cases of infection that occur in nursing homes, are poorly understood.

Objective.

To describe the epidemiology, disease burden, and mortality rate of healthcare-onset CDI.

Methods.

In 2006, active public reporting of healthcare-onset CDI, using standardized case definitions, was mandated for all Ohio hospitals and nursing homes. Incidence rates were determined and stratified according to healthcare facility characteristics. Death certificates that listed CDI were analyzed for trends.

Results.

There were 14,329 CDI cases reported, including 6,376 cases at 210 hospitals (5,217 initial cases [ie, cases identified more than 48 hours after admission to a healthcare facility in patients who had not had CDI during the previous 6 months] and 1,159 recurrent cases [ie, cases involving patients who had had CDI during the previous 6 months]) and 7,953 cases at 955 nursing homes (4,880 initial and 3,073 recurrent cases). After adjusting for missing data, the estimated total was 18,200 cases of CDI, which included 7,000 hospital cases (5,700 initial and 1,300 recurrent cases) and 11,200 nursing homes cases (6,900 initial and 4,300 recurrent cases). The rate for initial cases was 6.4-7.9 cases/10,000 patient-days for hospitals and 1.7-2.9 cases/10,000 patient-days for nursing homes. The rate for initial cases in nursing homes decreased during the study (P < .001). Nonpediatric hospital status (P = .011), a smaller number of beds (P = .003), and location in the eastern or northeastern region of the state (P = .011) were each independently associated with a higher rate of initial cases in hospitals. Death certificates for 2006 listed CDI among the causes of death for 893 Ohio residents; between 2000 and 2006, this number increased more than 4-fold.

Conclusion.

Healthcare-onset CDI represents a major public health threat that, when considered in the context of an increasing mortality rate, should justify a major focus on prevention efforts.
Evidence of Vaccine Protection Among Thai Medical Students and Implications for Occupational Health
Authors: Srichomkwun Panudda , Apisarnthanarak Anucha , Thongphubeth Kanokporn , Yuekyen Chananart , Mundy Linda M.
Published: May 2009

In a cross-sectional study of Thai medical students, we compared the seroprevalence of antibody to measles virus, rubella virus, varicella zoster virus, hepatitis A virus, and hepatitis B virus with self-reports of prior infection or vaccination. Self-report predicted immunity to varicella zoster virus only. These data contribute to risk assessment and occupational health strategies in this resource-limited setting.
Does an Educational Session With an Infectious Diseases Physician Reduce the Use of Inappropriate Antibiotic Therapy for Inpatients With Positive Urine Culture Results? A Controlled Before-and-After Study
Authors: Pavese Patricia , Saurel Nathalie , Labarère José , Decouchon Corinne , Vittoz Jean-Philippe , Foroni Luc , Maurin Max , François Patrice
Published: May 2009

In this controlled before-and-after study involving 19 departments in a university-affiliated hospital, a single 1-hour educational session delivered by an infectious diseases physician reduced the use of inappropriate antibiotic therapy for inpatients with positive urine culture Results. Further study is warranted to assess the long-term effect of this intervention.
Mouse population-guided resequencing reveals that variants inCD44contribute to acetaminophen-induced liver injury in humans
Authors: Harrill Alison H. , Watkins Paul B. , Su Stephen , Ross Pamela K. , Harbourt David E. , Stylianou Ioannis M. , Boorman Gary A. , Russo Mark W. , Sackler Richard S. , Harris Stephen C. , Smith Philip C. , Tennant Raymond , Bogue Molly , Paigen Kenneth , Harris Christopher , Contractor Tanupriya , Wiltshire Timothy , Rusyn Ivan , Threadgill David W.
Published: May 2009

Interindividual variability in response to chemicals and drugs is a common regulatory concern. It is assumed that xenobiotic-induced adverse reactions have a strong genetic basis, but many mechanism-based investigations have not been successful in identifying susceptible individuals. While recent advances in pharmacogenetics of adverse drug reactions show promise, the small size of the populations susceptible to important adverse events limits the utility of whole-genome association studies conducted entirely in humans. We present a strategy to identify genetic polymorphisms that may underlie susceptibility to adverse drug reactions. First, in a cohort of healthy adults who received the maximum recommended dose of acetaminophen (4 g/d × 7 d), we confirm that about one third of subjects develop elevations in serum alanine aminotransferase, indicative of liver injury. To identify the genetic basis for this susceptibility, a panel of 36 inbred mouse strains was used to model genetic diversity. Mice were treated with 300 mg/kg or a range of additional acetaminophen doses, and the extent of liver injury was quantified. We then employed whole-genome association analysis and targeted sequencing to determine that polymorphisms inLy86,Cd44,Cd59a, andCapn8correlate strongly with liver injury and demonstrated that dose-curves vary with background. Finally, we demonstrated that variation in the orthologous human gene,CD44, is associated with susceptibility to acetaminophen in two independent cohorts. Our results indicate a role for CD44 in modulation of susceptibility to acetaminophen hepatotoxicity. These studies demonstrate that a diverse mouse population can be used to understand and predict adverse toxicity in heterogeneous human populations through guided resequencing.
[13,27-Dichloro-3,6,9,17,20,23-hexaazatetracyclo[23.3.1.111,15.02,6]triaconta-1(29),9,11,13,15(30),16,23,25,27-nonaene-29,30-diol-κ5N17,N20,N23,O29,O30]bis(nitrato-κ2O,O′)europium(III) nitrate methanol hemisolvate
Authors: Yue Xia-Li
Published: May 2009

The title compound, [EuIII(NO3)2(C24H28Cl2N6O2)]NO3·0.5CH3OH, is isostructural with the GdIIIand HoIIIcomplexes of the analogous macrocyclic ligand, with both Cl atoms replaced by methyl groups. The Eu atom exhibits a nine-coordinate distorted tricapped trigonal-prismatic coordination geometry. The methanol solvent molecule is disordered about a twofold rotation axis with occupancies of 0.543 (12):0.457 (12).
3-Iodo-8β,9α,14α-estra-1,3,5(10)-trien-17-one
Authors: Ketuly Kamal Aziz , A. Hadi A. Hamid , Ng Seik Weng
Published: May 2009

In the title compound, C18H21IO, the cyclohexane ring adopts a chair conformation, whereas the cyclopentane ring and the ten-membered tetraline portions each adopt an envelope conformation. For the five-membered ring, the methine C atom deviates by 0.638 (4) Å (r.m.s. of the four other atoms is 0.005 Å) and for the ten-membered ring, the methine C atom constituting the flap deviates by 0.671 (3) Å (r.m.s. of the other nine atoms is 0.066 Å).
Hexaaquacadmium(II) dipicrate monohydrate
Authors: Natarajan S. , Moovendaran K. , Dhas S. A. Martin Britto , Suresh J. , Lakshman P. L. Nilantha
Published: May 2009

In the structure of the title compound, [Cd(H2O)6](C6H2N3O7)2·H2O, the CdIIion is located on an inversion center and is coordinated by six water molecules in an octahedral geometry. The picrate anions have no coordination interactions with the CdIIion. The three nitro groups are twisted away from the attached benzene ring, making dihedral angles of 17.89 (3), 27.94 (4) and 13.65 (3)°. There are numerous O—H...O hydrogen bonds in the crystal structure, involving coordinated and uncoordinated water molecules.
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 3-carboxypropanoate
Authors: Kuś Piotr , Rojkiewicz Marcin , Zięba Grzegorz , Witoszek Monika , Jones Peter G.
Published: May 2009

In the title compound, C10H16O6, the five-membered ring has an envelope conformation. The packing involves hydrogen-bonded carboxylic acid inversion dimers and three C—H...O interactions.
Dimethyl [(4-fluorophenyl)(6-methoxybenzothiazol-2-ylamino)methyl]phosphonate
Authors: Hong Yan-Ping , Song Bao-An , Shangguan Xin-Chen
Published: May 2009

In the molecule of title compound, C17H18FN2O4PS, both the benzene ring with its conjunction C atom and the benzothiazole ring with its conjunction N atom are close to planar (the maximum deviations are 0.0267 and 0.0427 Å for the benzene and benzothiazole rings, respectively), the dihedral angle between the planes of the benzothiazole and benzene rings is 119.05 (3)°. The molecular packing is stabilized by intermolecular N—H...O, C—H...N and C—H...F hydrogen bonding, and by C—H...π and π–π stacking interactions [centroid–centroid distances = 2.99 (2), 2.96 (3), 2.88 (2) and 3.773 (4) Å].
Diisopropyl 3-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5-oxocyclohex-3-ene-1,1-dicarboxylate
Authors: Chen Shifeng , Zhang Chen , Qi Jian-feng
Published: May 2009

The title compound, C24H30O7, displays atransconfiguration with respect to the C=C bond. The cyclohexenone ring has an envelope conformation; the flap atom (with the isopropoxycarbonyl groups) is displaced by 0.664 (3) Å from the plane of the other five ring atoms and the carbonyl O atom. The dihedral angle between the cyclohexenone ring and the benzene ring is 7.85 (9)°. Themetaandparamethoxy O atoms are displaced by 0.003 (7) and 0.031 (4) Å, respectively, from the benzene ring to which they are attached.
4-tert-Butylamino-3-nitrobenzoic acid
Authors: Narendra Babu Shivanagere Nagojappa , Abdul Rahim Aisyah Saad , Abd Hamid Shafida , Jebas Samuel Robinson , Fun Hoong-Kun
Published: May 2009

In the title compound, C11H14N2O4, all non-H atoms lie in a mirror plane except for one of the methyl groups which deviates from the mirror plane by 0.919 (3) Å and is twisted by a torsion angle of 62.9 (2)°. An intramolecular N—H...O hydrogen bond generates anS(6) ring motif. In the crystal packing, the molecules are linked together by O—H...O hydrogen bonds, forming dimers with graph-set motifR22(8) which propagate along thea-axis direction. C—H...O contacts link adjacent dimers with a graph-set motifC22(7), forming chains alongb, and further consolidate the structure into a three-dimensional network. The crystal packing is further strengthened by short intermolecular O...O=C [2.655 (4) Å] contacts.
N′-[(E)-4-Bromobenzylidene]-2-(4-isobutylphenyl)propanohydrazide
Authors: Fun Hoong-Kun , Quah Ching Kheng , Sujith K. V. , Kalluraya B.
Published: May 2009

The asymmetric unit of the title compound, C20H23BrN2O, contains two independent molecules (AandB), in which the orientations of the 4-isobutylphenyl units are different. The dihedral angle between the two benzene rings is 88.45 (8)° in moleculeAand 89.87 (8)° in moleculeB. MoleculesAandBare linked by a C—H...N hydrogen bond. In the crystal, molecules are linked into chains running along theaaxis by intermolcular N—H...O and C—H...O hydrogen bonds. The crystal structure is further stabilized by C—H...π interactions. The presence of pseudosymmetry in the structure suggests the higher symmetry space groupPbca. However, attempts to refine the structure in this space group resulted in a disorder model with highR(0.097) andwR(0.257) values. The crystal studied was an inversion twin with a 0.595 (4):0.405 (4) domain ratio.
cis-Bis(nitrato-κ2O,O′)bis(triethylphosphine oxide-κO)nickel(II)
Authors: Seidel Rüdiger W.
Published: May 2009

In the title compound, [Ni(NO3)2(C6H15OP)2], the NiIIion, lying on a crystallographic twofold axis, adopts a distorted octahedral coordination, consisting ofO-donor atoms of two symmetry-related triethylphospine oxide and two bidentate nitrate ligands.
2,10-Dihydroxy-13-methyl-13-azatetracyclo[9.3.1.02,10.03,8]pentadeca-3(8),4,6-triene-9,15-dione
Authors: Suresh J. , Nithya U. C. , Kumar R. Suresh , Perumal S. , Lakshman P. L. Nilantha
Published: May 2009

In the title compound, C15H15NO4, then-methylpiperidone ring adopts a chair conformation and both five-membered rings adopt a twist conformation. An intramolecular O—H...O hydrogen bond is observed. Inversion-related molecules are linked intoR22(10) dimers by pairs of O—H...O hydrogen bonds. The crystal structure is further stabilized by C—H...O hydrogen bonds.
4-Acetamido-3-nitrophenyl acetate
Authors: Gu Zhun , Cheng Wei
Published: May 2009

In the molecule of the title compound, C10H10N2O5, intramolecular C—H...O interactions result in the formation of a five- and a six-membered ring. The five-membered ring is planar and is oriented at a dihedral angle of 0.34 (3)° with respect to the plane of the aromatic ring, while the six-membered ring has a twist conformation. In the crystal structure, intermolecular C—H...O interactions link the molecules into chains.
4,4′-Dimethyl-1,1′-[ethylenedioxybis(nitrilomethylidyne)]dibenzene
Authors: Ding Yu-Jie , Xue Zhu-Lian , Dong Wen-Kui , Sun Yin-Xia , Wu Jian-Chao
Published: May 2009

The Schiff base, C18H20N2O2, which lies about an inversion centre, adopts a linear conformation. The molecules are packed by C—H...π interactions, forming a two-dimensional supramolecular network.
1-(2-Chloroacetyl)-3-methyl-2,6-bis(3,4,5-trimethoxyphenyl)piperidine-4-one
Authors: Lakshminarayana B. N. , Shashidhara Prasad J. , Gnanendra C. R. , Sridhar M. A. , Chenne Gowda D.
Published: May 2009

In the crystal structure of the title compound, C26H32ClNO8, the piperidine ring is in a twist-chair conformation, with puckering parametersQ= 0.655 (4) Å, θ = 93.1 (1) and φ = 254.4 (3)°. TheorthoC atoms of the piperidine ring deviate from the plane defined by the remaining ring atoms by 0.380 (3) and −0.250 (3) Å.
(E)-N′-(4-Nitrobenzylidene)-2-(8-quinolyloxy)acetohydrazide methanol solvate
Authors: Ren Chun-Yan
Published: May 2009

In the title compound, C18H14N4O4·CH3OH, the mean planes of the benzene ring and the quinoline ring system make a dihedral angle of 15.5 (2)°. The methanol solvent molecule forms an O—H...N hydrogen bond to the quinoline ring system and accepts an N—H...O hydrogen bond from the hydrazide NH group. The molecules lie in layers approximately parallel to (101) and C—H...O interactions exist between molecules within the layers.
Diazidobis[2,4-diamino-6-(2-pyridyl)-1,3,5-triazine-κ2N1,N6]zinc(II)
Authors: Zhao Qi-Hua , Fan Ai-Ling , Li Li-Nan , Xie Ming-Jing
Published: May 2009

In the title mononuclear complex, [Zn(N3)2(C8H8N6)2], the ZnIIatom, lying on a twofold rotation axis, is six-coordinated in a distorted octahedral environment by four N atoms from two 2,4-diamino-6-(2-pyridyl)-1,3,5-triazine ligands and two N atoms from two end-on-coordinated azide ions. N—H...N hydrogen bonds between the ligand and azide ion link the complex molecules into a three-dimensional network.
1-(4-Methoxyphenylsulfonyl)-5-methyl-5-phenylimidazolidine-2,4-dione
Authors: Hussain Abid , Hameed Shahid , Stoeckli-Evans Helen
Published: May 2009

The title compound, C17H16N2O5S, crystallized in the chiral monoclinic space groupP21, with two enantiomeric molecules (AandB) in the asymmetric unit. It is composed of a methylimidazolidine-2,4-dione unit substituted with a phenyl group and a 4-methoxyphenylsulfonyl group. The benzene ring mean planes are inclined to one another by 22.20 (14)° in moleculeAand by 15.82 (13)° in moleculeB. In the crystal structure, theAandBmolecules are linked by N—H...O hydrogen bonds, forming centrosymmetric dimers. A number of C—H...O interactions are also present in the crystal structure, leading to the formation of a three-dimensinoal network.
Rb2Sb4O11
Authors: Kalpana Govindaraasan , Weller Mark T.
Published: May 2009

The title compound, dirubidium tetraantimonate(V), Rb2Sb4O11, has been synthesized by flux reaction. It is isotypic with knownA2Sb4O11(A= K, Cs) structures and consists of an (Sb4O11)2−skeleton and two Rb atoms as charge-compensating cations. Distorted SbO6octahedra share edges and corners, resulting in a layered assembly. Alternate stacking of the layers along thecaxis leads to the formation of tunnels. The Rb+ions, surrounded by nine and ten O atoms, respectively, are located in these tunnels. Some atoms in the structure are on special positions ofmsymmetry (two Sb atoms, both Rb atoms and four O atoms) and 2 symmetry (one O atom).
Methyl 2-(benzenesulfonamido)acetate
Authors: Arshad Muhammad Nadeem , Khan Islam Ullah , Zia-ur-Rehman Muhammad , Shafiq Muhammad
Published: May 2009

The title compound, C9H11NO4S, is of interest as a precursor to biologically active benzothiazines. The crystal structure is stabilized by intermolecular N—H...O and C—H...O interactions.
(Benzonitrile-κN)chlorido[hydridotris(pyrazol-1-yl-κN
2)borato](triphenylphosphine-κP)ruthenium(II) ethanol solvate. Corrigendum
Authors: Tong Hung-Chun , Wang Po-Yo , Kuo Yu-Lin , Lin Chia-Her , Lo Yih-Hsing
Published: May 2009

The author list in the paper by Tong, Hung, Wang, Lin & Lo [Acta Cryst. (2009), E65, m438] is corrected.
6-(1H-Indol-3-yl)-4-phenyl-2,2′-bipyridine-5-carbonitrile
Authors: Zhu Weijun , Xiang Yan , Zhu Songlei
Published: May 2009

In the molecule of the title compound, C25H16N4, the pyridine rings are oriented at a dihedral angle of 0.92 (3)°, while the dihedral angle between the benzene ring and the adjacent pyridine ring is 56.51 (3)°. In the crystal structure, intermolecular N—H...N hydrogen bonds link the molecules into centrosymmetric dimers, formingR22(16) ring motifs. π–π contacts between the pyridine ring and the indole ring system and between the pyridine rings [centroid–centroid distances = 3.923 (2) and 3.724 (2) Å] may further stabilize the structure. Two weak C—H...π interactions are also present.
Redetermination of (2,2′-bipyridine-κ2N,N′)dichloridopalladium(II) dichloromethane solvate
Authors: Kim Nam-Ho , Hwang In-Chul , Ha Kwang
Published: May 2009

In the title compound, [PdCl2(C10H8N2)]·CH2Cl2, the Pd2+ion is four-coordinated in a slightly distorted square-planar environment by two N atoms of the 2,2′-bipyridine (bipy) ligand and two chloride ions. The compound displays intramolecular C—H...Cl hydrogen bonds and pairs of complex molecules are connected by intermolecular C—H...Cl hydrogen bonds. Intermolecular π–π interactions are present between the pyridine rings of the ligand, the shortest centroid–centroid distance being 4.096 (3) Å. As a result of the electronic nature of the chelate ring, it is possible to create π–π interactions to its symmetry-related counterpart [3.720 (2) Å] and also with a pyridine ring [3.570 (3) Å] of the bipy unit. The present structure is a redetermination of a previous structure [Vicenteet al.(1997). Private communication (refcode PYCXMN02). CCDC, Cambridge, England]. In the new structure refinement all H atoms were located in a difference Fourier synthesis. Their coordinates were refined freely, together with isotropic displacement parameters.
2-(Prop-2-enyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide
Authors: Arshad Muhammad Nadeem , Mubashar-ur-Rehman Hafiz , Zia-ur-Rehman Muhammad , Khan Islam Ullah , Shafiq Muhammad
Published: May 2009

In the title compound, C10H9NO3S, the benzisothiazole group is almost planar (with a maximum deviation of 1.61 Å). The crystal structure is stabilized by weak intermolecular C—H...O hydrogen bonds, forming a chain of molecules alongb.
A new crystal phase ofN,N,N′,N′-tetraphenyl-1,1′-biphenyl-4,4′-diamine
Authors: Shao Xiangfeng , Asahi Kenshiro , Yamauchi Takayoshi , Sugimoto Toyonari , Shiro Motoo
Published: May 2009

The complete molecule of the title compound, C36H28N2, is generated by a crystallographic centre of inversion. The biphenyl unit is forced by symmetry to be essentially flat (r.m.s. deviation = 0.008 Å); the dihedral angles between it and the two terminal phenyl rings are 69.39 (5) and 59.53 (5)°.
catena-Poly[[diaqua(1H-imidazo[4,5-f][1,10]phenanthroline)cobalt(II)]-μ-sulfato]
Authors: Yu Jian
Published: May 2009

The CoIIion in the title complex, [Co(SO4)(C13H8N4)(H2O)2]n, has a slightly distorted octahedral coordination environment formed by two O atoms from two symmetry-related bridging sulfate ligands, two N atoms from a bis-chelating 1H-imidazo[4,5-f][1,10]phenanthroline (IPL) ligand and two O atoms from coordinated water molecules. The bridging sulfate ligands connect CoIIions to form a one-dimensional chain along theb-axis direction. In the crystal structure, intermolecular O—H...O, O—H...N and N—H...O hydrogen bonds link the chains into a three-dimensional network.
3-(2-Pyridyl)-5-(4-pyridyl)-4-(p-tolyl)-1H-1,2,4-triazole
Authors: Yuan Lu-Tong , Zhang Hai , Wang Zuo-Xiang , Qu Zhi-Rong
Published: May 2009

In the molecule of the title compound, C19H15N5, the dihedral angles formed by the plane of the triazole ring with those of the 2-pyridyl, 4-pyridyl andp-tolyl rings are 28.12 (10), 34.62 (10) and 71.43 (9)°, respectively. The crystal structure is consolidated by C—H...π hydrogen-bonding interactions and by π–π stacking interactions, with a centroid–centroid distance of 3.794 (4) Å.
2-Acetylpyridinium bromanilate
Authors: Thomas Lynne H. , Boyle Bryan , Clive Lesley A. , Collins Anna , Currie Lynsey D. , Gogol Malgorzata , Hastings Claire , Jones Andrew O. F. , Kennedy Jennifer L. , Kerr Graham B. , Kidd Alastair , Lawton Lorreta M. , Macintyre Susan J. , MacLean Niall M. , Martin Alan R. G. , McGonagle Kate , Melrose Samantha , Rew Gaius A. , Robinson Colin W. , Schmidtmann Marc , Turnbull Felicity B. , Williams Lewis G. , Wiseman Alan Y. , Wocial Malgorzata H. , Wilson Chick C.
Published: May 2009

In the crystal of the title molecular salt (systematic name: 2-acetylpyridinium 2,5-dibromo-4-hydroxy-3,6-dioxocyclohexa-1,4-dienolate), C7H8NO+·C6HBr2O4−, centrosymmetric rings consisting of two cations and two anions are formed, with the components linked by alternating O—H...O and N—H...O hydrogen bonds. Short O...Br contacts [3.243 (2) and 3.359 (2) Å] may help to consolidate the packing.
Problem gamblers share deficits in impulsive decision‐making with alcohol‐dependent individuals
Authors: Lawrence Andrew J. , Luty Jason , Bogdan Nadine A. , Sahakian Barbara J. , Clark Luke
Published: May 2009

Aims  Problem gambling has been proposed to represent a ‘behavioural addiction’ that may provide key insights into vulnerability mechanisms underlying addiction in brains that are not affected by the damaging effects of drugs. Our aim was to investigate the neurocognitive profile of problem gambling in comparison with alcohol dependence. We reasoned that shared deficits across the two conditions may reflect underlying vulnerability mechanisms, whereas impairments specific to alcohol dependence may reflect cumulative effects of alcohol consumption.

Design  Cross‐sectional study.

Setting  Out‐patient addiction treatment centres and university behavioural testing facilities.

Participants  A naturalistic sample of 21 male problem and pathological gamblers, 21 male alcohol‐dependent out‐patients and 21 healthy male control participants.

Measurements  Neurocognitive battery assessing decision‐making, impulsivity and working memory.

Findings  The problem gamblers and alcohol‐dependent groups displayed impairments in risky decision‐making and cognitive impulsivity relative to controls. Working memory deficits and slowed deliberation times were specific to the alcohol‐dependent group.

Conclusions  Gambling and alcohol‐dependent groups shared deficits in tasks linked to ventral prefrontal cortical dysfunction. Tasks loading on dorsolateral prefrontal cortex were selectively impaired in the alcohol‐dependent group, presumably as a consequence of long‐term alcohol use.
Comparison of costs and utilization among buprenorphine and methadone patients
Authors: Barnett Paul G.
Published: May 2009

Aims  Buprenorphine is an effective alternative to methadone for treatment of opioid dependence, but economic concerns represent a barrier to implementation. The economic impacts of buprenorphine adoption by the US Veterans Health Administration (VHA) were examined.

Design  Prescriptions of buprenorphine, methadone treatment visits, health‐care utilization and cost, and diagnostic data were obtained for 2005.

Findings  VHA dispensed buprenorphine to 606 patients and methadone to 8191 other patients during the study year. An analysis that controlled for age and diagnosis found that the mean cost of care for the 6 months after treatment initiation was $11 597 for buprenorphine and $14 921 for methadone (P < 0.001). Cost was not significantly different in subsequent months. The first 6 months of buprenorphine treatment included an average of 66 ambulatory care visits, significantly fewer than the 137 visits in methadone treatment (P < 0.001). In subsequent months, buprenorphine patients had 8.4 visits, significantly fewer than the 21.0 visits of methadone patients (P < 0.001). Compared to new methadone episodes, new buprenorphine episodes had 0.634 times the risk of ending [95% confidence interval 0.547–0.736]. Implementation of buprenorphine treatment was not associated with an influx of new opioid‐dependent patients.

Conclusion  Despite the higher cost of medication, buprenorphine treatment was no more expensive than methadone treatment. VHA methadone treatment costs were higher than reported by other providers. Although new buprenorphine treatment episodes lasted longer than new methadone episodes, buprenorphine is recommended for more adherent patients.