bluuebunny/crossref_metadata_2025_split huggingface dataset:
Modeling Interactions between an Amino Acid and a Metal Dication: Cysteine–Calcium(II) Reactions in the Gas Phase
Authors: Hurtado Marcela , Monte Manuel , Lamsabhi Al Mokhtar , Yáñez Manuel , Mó Otilia , Salpin Jean‐Yves 
Published: July 2013

AbstractThe gas‐phase interactions between Ca2+and cysteine (Cys) have been investigated through the use of electrospray ionization/mass spectrometry techniques and B3LYP/6‐311++G(3df,2p)//B3LYP/6‐311+G(d,p) density functional theory computations. The unimolecular collision‐activated decomposition of [Ca(Cys)]2+is dominated by the loss of ammonia, a Coulomb explosion yielding NH4+and [CaC3H3O2S]+, and the loss of H2S. The detection of lighter [C3H3OS]+monocations indicates that the [CaC3H4O2S]2+doubly charged species produced by the loss of ammonia undergo a subsequent Coulomb explosion yielding [C3H3OS]++CaOH+. This [C3H3OS]+cation finally decomposes into [C2H3S]++CO. Alternatively, the aforementioned [CaC3H4O2S]2+dications may also lead to lighter [CaCO2]2+and [CaC2H4S]2+dications by the loss of C2H4S and CO2, respectively. A detailed theoretical exploration of the Ca2+/Cys potential‐energy surface indicates that the salt‐bridge structures, in which the metal dication interacts with the carboxylate group of the zwitterionic form of cysteine, are at the origin of the different reaction pathways leading to the observed product ions, even though they lie higher in energy than the charge‐solvated adduct in which the metal interacts simultaneously with the carbonyl oxygen, the amino, and the SH group of its canonical form. The interaction between the metal cation and the base is essentially electrostatic, with a calculated binding energy of 560 kJ mol−1.
Conditional KIAA1549:BRAF mice reveal brain region‐ and cell type‐specific effects
Authors: Kaul Aparna , Chen Yi‐Hsien , Emnett Ryan J. , Gianino Scott M. , Gutmann David H. 
Published: July 2013

SummaryLow‐grade brain tumors (pilocytic astrocytomas) that result from a genomic rearrangement in which the BRAF kinase domain is fused to the amino terminal of the KIAA1549 gene (KIAA1549:BRAF fusion; f‐BRAF) commonly arise in the cerebellum of young children. To model this temporal and spatial specificity in mice, we generated conditional KIAA1549:BRAF strains that coexpresses green fluorescent protein (GFP). Although both primary astrocytes and neural stem cells (NSCs) from these mice express f‐BRAF and GFP as well as exhibit increased MEK activity, only f‐BRAF‐expressing NSCs exhibit increased proliferation in vitro. Using Cre driver lines in which KIAA1549:BRAF expression was directed to NSCs (f‐BRAF; BLBP‐Cre mice), astrocytes (f‐BRAF; GFAP‐Cre mice), and NG2 progenitor cells (f‐BRAF; NG2‐Cre mice), increased glial cell numbers were observed only in the cerebellum of f‐BRAF; BLBP‐Cre mice in vivo. The availability of this unique KIAA1549:BRAF conditional transgenic mouse strain will enable future mechanistic studies aimed at defining the developmentally–regulated temporal and spatial determinants that underlie low‐grade astrocytoma formation in children. genesis 51:708–716. © 2013 Wiley Periodicals, Inc.
Self‐efficacy beliefs and eating behavior in adolescent girls at‐risk for excess weight gain and binge eating disorder
Authors: Glasofer Deborah R. , Haaga David A.F. , Hannallah Louise , Field Sara E. , Kozlosky Merel , Reynolds James , Yanovski Jack A. , Tanofsky‐Kraff Marian 
Published: July 2013

ABSTRACTObjectiveTo examine the relationship between self‐related agency beliefs and observed eating behavior in adolescent girls with loss of control (LOC) eating.MethodOne‐hundred eleven adolescent girls (14.5 ± 1.7 years; BMI: 27.1 ± 2.6 kg/m2) were administered the General Self‐Efficacy Scale and the Weight Efficacy Lifestyle Questionnaire (WEL). Adolescents then participated in a laboratory test meal.ResultsGreater general and eating self‐efficacy were associated with fewer episodes of LOC eating. General self‐efficacy was inversely related to total intake at the meal (p < .01). Only the WEL availability subscale score, but not the other WEL subscales, was inversely related to total energy, snack, and dessert intake (ps < 0.05).DiscussionGeneral self‐related agency beliefs may be important in relation to energy consumption. Among girls susceptible to disordered eating and obesity, the domain‐specific belief in one's ability to refrain from eating when food is widely available may be especially salient in determining overeating in the current food environment. Further research is therefore needed to assess the predictive validity of these beliefs on eating and weight outcomes. © 2013 Wiley Periodicals, Inc. (Int J Eat Disord 2013; 46:663–668)
Examining duration of binge eating episodes in binge eating disorder
Authors: Schreiber‐Gregory Deanna N. , Lavender Jason M. , Engel Scott G. , Wonderlich Steve A. , Crosby Ross D. , Peterson Carol B. , Simonich Heather , Crow Scott , Durkin Nora , Mitchell James E. 
Published: July 2013

ABSTRACTObjectiveThe primary goal of this article is to examine and clarify characteristics of binge eating in individuals with binge eating disorder (BED), particularly the duration of binge eating episodes, as well as potential differences between individuals with shorter compared to longer binge eating episodes.MethodTwo studies exploring binge eating characteristics in BED were conducted. Study 1 examined differences in clinical variables among individuals (N = 139) with BED who reported a short (<2 h) versus long (≥2 h) average binge duration. Study 2 utilized an ecological momentary assessment design to examine the duration and temporal pattern of binge eating episodes in the natural environment in a separate sample of nine women with BED.ResultsParticipants in Study 1 who were classified as having long duration binge eating episodes displayed greater symptoms of depression and lower self‐esteem, but did not differ on other measures of eating disorder symptoms, compared to those with short duration binge eating episodes. In Study 2, the average binge episode duration was approximately 42 min, and binge eating episodes were most common during the early afternoon and evening hours, as well as more common on weekdays versus weekends.DiscussionPast research on binge episode characteristics, particularly duration, has been limited to studies of binge eating episodes in bulimia nervosa. This study contributes to the existing literature on characteristics of binge eating in BED. © 2013 Wiley Periodicals, Inc. (Int J Eat Disord 2013; 46:810–814)
Constitutive induction of intestinal Tc17 cells in the absence of hematopoietic cell‐specific MHC class II expression
Authors: Rubino Stephen J. , Geddes Kaoru , Magalhaes Joao G. , Streutker Catherine , Philpott Dana J. , Girardin Stephen E. 
Published: July 2013

The enteric pathogen Citrobacter rodentium induces a mucosal IL‐17 response in CD4+ T helper (Th17) cells that is dependent on the Nod‐like receptors Nod1 and Nod2. Here, we sought to determine whether this early Th17 response required antigen presentation by major histocompatibility complex class II (MHCII) for full induction. At early phases of C. rodentium infection, we observed that the intestinal mucosal Th17 response was fully blunted in irradiated mice reconstituted with MHCII‐deficient (MHCII−/−→WT) hematopoietic cells. Surprisingly, we also observed a substantial increase in the relative frequency of IL‐17+CD8+CD4−TCR‐β+ cells (Tc17 cells) and FOXP3+CD8+CD4−TCR‐β+ cells in the lamina propria and intraepithelial lymphocyte compartment of MHCII−/−→WT mice compared with that in WT→WT counterparts. Moreover, MHCII−/−→WT mice displayed increased susceptibility, increased bacterial translocation to deeper organs, and more severe colonic histopathology after infection with C. rodentium. Finally, a similar phenotype was observed in mice deficient for CIITA, a transcriptional regulator of MHCII expression. Together, these results indicate that MHCII is required to mount early mucosal Th17 responses to an enteric pathogen, and that MHCII regulates the induction of atypical CD8+ T‐cell subsets, such as Tc17 cells and FOXP3+CD8+ cells, in vivo.
Biologically Relevant Silver(I)–N‐Heterocyclic Carbene Complexes: Synthesis, Structure, Intramolecular Interactions, and Applications
Authors: Budagumpi Srinivasa , Haque Rosenani A. , Endud Salasiah , Rehman Ghani Ur , Salman Abbas Washeel 
Published: July 2013

AbstractN‐Heterocyclic carbenes (NHCs) complexed with silver represent new, broad‐spectrum antimicrobial and anticancer agents, normally with low toxicity profiles, and they provide a range of versatile structures for targeted biological applications. Most of these complexes have shown higher cytotoxicity than cisplatin, a potent anticancer drug. This study reviews the design, synthesis, structural characterization, and biological applications of silver complexes derived from both functionalized and nonfunctionalized NHC ligands. Specifically, silver complexes of functionalized and nonfunctionalized imidazole‐ and benzimidazole‐based NHC systems employed in antimicrobial and anticancer applications are reviewed. Advancements achieved in the use of silver(I)–NHC complexes of miscellaneous azolium ligands, such as 1,2,4‐triazole and the heterocycle‐fused imidazolium derivative xanthene are also reviewed. Encapsulation of a series of silver–NHC complexes in a polymer‐based carrier material represents a promising method for the targeted delivery of silver ions to the infected sites. The advances achieved in this particular area are systematically reviewed in this paper. In general, these preliminary achievements reveal the potential of silver(I)–NHC complexes as efficient antimicrobial and anticancer candidates.
Green Synthesis of Chitosan‐Stabilized Copper Nanoparticles
Authors: Tokarek Katarzyna , Hueso Jose L , Kuśtrowski Piotr , Stochel Grażyna , Kyzioł Agnieszka 
Published: July 2013

AbstractThe synthesis of stable copper nanoparticles (CuNPs) has been carried out in the presence of green chemicals such as chitosan, sodium phosphinate, and ascorbic acid. The colloidal stability of the copper nanoparticles has been evaluated for a period of one month. No further aggregation or significant changes in the overall oxidation state of the resulting nanoparticles has been detected, thereby proving the viability of this one‐step synthesis method. In addition, different control experiments have shown that the presence of the three reactants is necessary to obtain stable copper nanoparticles for periods of time longer than one week. The use of chitosan as a natural polymer with stabilizing properties enables its application in the biomedical field owing to its demonstrated biocompatibility, biodegradability, and lack of toxicity. Sodium phosphinate acts as a co‐reducing agent and the ascorbic acid prevents the formation of copper sub‐oxides owing to its antioxidant properties.
Total Synthesis of (+)‐Phenguignardic Acid, a Phytotoxic Metabolite of Guignardia bidwellii
Authors: Stoye Alexander , Kowalczyk Danuta , Opatz Till 
Published: July 2013

Abstract(+)‐Phenguignardic acid, a phytotoxic metabolite of the grape black rot fungus Guignardia bidwellii was synthesized, as well as its enantiomer, in eight steps from (R)‐phenyllactic acid and 3‐phenylprop‐2‐yn‐1‐ol. The formation of the carboxylate at a late stage, to avoid enolization of the precursor used in the central acetalization step, proved to be crucial. The synthesis of the natural product allowed the unabiguous assignment of its hitherto unknown absolute configuration.
Molecular Architectonics of Stereochemically Constrained π‐Complementary Functional Modules
Authors: Avinash M. B. , Samanta Pralok K. , Sandeepa K. V. , Pati Swapan K. , Govindaraju T. 
Published: July 2013

AbstractThe elucidation of the complex factors that govern recognition events at the molecular level represents a daunting challenge in our quest to master the art of pre‐programmed molecular assemblies. In this context, we present the molecular architectonics of thoughtfully designed amino acid appended functional molecules 1–5. Naphthalenediimide (NDI) and pyrene were employed as functional modules due to their unusual topological shape similarity as well as complementary π‐acidic and π‐basic character, respectively. In addition, we show that dyads of such unusual functional modules energetically favour alternate assembly in contrast to the predominant self‐sorted assembly observed for single‐component systems. Moreover, by incorporating minute structural mutations into the amino acid side‐chains of 1–5, we successfully tailored their assemblies into well‐defined supramolecular architectures, namely supercoiled helices, twisted nanoribbons, nanobelts, comb‐edged nanoflakes and nanosheets. A detailed analysis with the aid of experimental and theoretical studies has generated interesting insights into the factors that govern the recognition events at the molecular level.
Synthesis of 6‐Sulfonatomethyl Thioglycosides by Nucleophilic Substitution: Methods to Prevent 1→6 Anomeric Group Migration of Thioglycoside 6‐O‐Triflates
Authors: Herczeg Mihály , Mező Erika , Eszenyi Dániel , Lázár László , Csávás Magdolna , Bereczki Ilona , Antus Sándor , Borbás Anikó 
Published: July 2013

AbstractIntroduction of a sulfonatomethyl moiety into the primary position of thioglycosides by nucleophilic displacement of the corresponding 6‐O‐triflate is described. The 1→6 migration of the anomeric group, which inevitably occurs through a bicyclic sulfonium ion intermediate, from conformationally flexible β‐thioglycosides was prevented by using an α‐thioglycoside or conformationally locked β‐thioglycoside as the starting material. The thioglycoside 6‐sulfonic acids showed excellent α‐selectivity during synthesis of uronic acid containing heparinoid trisaccharides.
Electrocatalytic Oxidation of Cysteine at a CoSalophen/ n‐(butyl)4SiW12O40 Carbon Paste Electrode
Authors: Kakhki Somayeh , Shams Esmaeil , Barsan Madalina M. 
Published: July 2013

AbstractIn the present study, a novel mixture consisting of N,N′‐bis(salicylidene)‐1,2‐phenylenediamino cobalt (CoSalophen, CoSal) complex and (n‐butyl)4SiW12O40 (SiW12), have been used to chemically modify a carbon paste electrode (CPE) for sensitive determination of cysteine (CySH). The electrocatalytic effect of the newly developed modified CPE towards oxidation of CySH was evaluated by comparing cyclic and differential pulse voltammograms in the presence of cysteine at bare, CoSal, SiW12 and CoSal/SiW12 modified CPE. The differential pulse voltammetry method was applied as a sensitive method for quantitative detection of CySH trace amounts, the experimental conditions being optimized in order to evaluate the best analytical parameters of the sensor. Reproducibility and stability studies were also performed and the sensor was applied for the determination of CySH in a pharmaceutical sample and in human blood serum and urine samples.
“Spiceophrenia”: a systematic overview of “Spice”‐related psychopathological issues and a case report
Authors: Papanti Duccio , Schifano Fabrizio , Botteon Giulia , Bertossi Francesca , Mannix Jason , Vidoni Daniela , Impagnatiello Matteo , Pascolo‐Fabrici Elisabetta , Bonavigo Tommaso 
Published: July 2013

ObjectivesThe use of synthetic cannabimimetics (SC; “spice” drugs) is increasing, especially among teenagers and young adults. In parallel with this, the number of studies describing intoxication episodes associated with psychotic symptoms in SC users is growing. We present both a systematic review of the related literature and a case report, which seems to highlight the existence of a possible association between SC use and psychosis.MethodsSome 223 relevant studies were here identified and reviewed. Out of these, 120 full text articles were assessed for eligibility, and 41 were finally included in the systematic review.ResultsAccording to the available data from the studies here identified, SC's average age of users was 22.97 years, and the male/female ratio was 3.16:1. SC compounds most often reported in studies using biological specimen analysis were JWH‐018, JWH‐073, JWH‐122, CP‐47,497, and JWH‐250. Mounting evidence seemed to suggest that psychotic symptoms such as hallucinations and delusions may occur in acute/chronic SC users.ConclusionsAlthough a clear causal link may not be here identified, the available evidence suggests that SC can trigger the onset of acute psychosis in vulnerable individuals and/or the exacerbation of psychotic episodes in those with a previous psychiatric history. Copyright © 2013 John Wiley & Sons, Ltd.
Human psychobiology of MDMA or ‘Ecstasy’: an overview of 25 years of empirical research
Authors: Parrott Andrew C. 
Published: July 2013

AimsThis paper aimed to review how scientific knowledge about the human psychobiology of MDMA has developed over time.MethodsIn this paper, the empirical findings from earlier and later studies will be reviewed.ResultsWhen MDMA was a ‘novel psychoactive substance’, it was not seen as a drug of abuse, as it displayed loss of efficacy. However, recreational users display a unique pattern of increasing doses, deteriorating cost–benefit ratios, and voluntary cessation. MDMA increases body temperature and thermal stress, with cortisol levels increased by 800% in dance clubbers. It can be extremely euphoric, although negative moods are also intensified. MDMA causes apoptosis (programmed cell death) and has been investigated for cancer therapy because of its anti‐lymphoma properties. Recreational users show deficits in retrospective memory, prospective memory, higher cognition, problem solving, and social intelligence. Basic cognitive skills remain intact. Neuroimaging studies show reduced serotonin transporter levels across the cerebral cortex, which are associated with neurocognitive impairments. Deficits also occur in sleep architecture, sleep apnoea, complex vision, pain, neurohormones, and psychiatric status. Ecstasy/MDMA use during pregnancy leads to psychomotor impairments in the children.ConclusionsThe damaging effects of Ecstasy/MDMA are far more widespread than was realized a few years ago, with new neuropsychobiological deficits still emerging. Copyright © 2013 John Wiley & Sons, Ltd.
Infants at Double Jeopardy: Socioeconomic, Medical, and Attachment‐Based Predictors of Maternal Engagement with an Early Intervention Program
Authors: Chin Fumiyuki , Teti Douglas M. 
Published: July 2013

ABSTRACTPredictors of parental engagement with early intervention were examined in 138 predominantly low‐income, African American mothers enrolled in a program designed to promote premature infant development and parent–infant relationships. Predictors included sociodemographics, infant medical risk, and mothers’ states of mind regarding attachment. Mothers’ engagement with intervention was assessed using interventionists’ ratings of parental engagement. Higher socioeconomic risk predicted lower engagement regardless of intervention status. Infant medical risk was not significantly associated with engagement. Autonomous (secure) mothers were more engaged with the intervention than were nonautonomous mothers, but only in the intervention group. When socioeconomic risk and maternal attachment status were examined jointly, only socioeconomic risk significantly predicted engagement. Results underscore the need for intervention programs that proactively identify socioeconomic and personological impediments to parental engagement and that are flexibly designed to maximize parental involvement.
Comparison of TWINS and THEMIS observations of proton pitch angle distributions in the ring current during the 29 May 2010 geomagnetic storm
Authors: Grimes E. W. , Perez J. D. , Goldstein J. , McComas D. J. , Valek P. , Turner D. 
Published: July 2013

AbstractThe first comparison between energy‐dependent ion pitch angle distributions in the ring current deconvolved from Two Wide‐angle Imagining Neutral‐atom Spectrometers (TWINS) energetic neutral atom (ENA) images and measured by Time History of Events and Macroscale Interactions during Substorms (THEMIS) D and E during a magnetic storm on 29 May 2010 is shown. The ion intensities and energy spectra along the THEMIS path are also compared with those deconvolved from the TWINS ENA images. The global plots of the ion intensities show an asymmetric ring current in the early recovery phase consistent with the ASY/H index. The comparison between the in situ pitch angle distributions observed by THEMIS and those obtained here from TWINS ENA images lends credence to the global plots of pitch angle anisotropy provided by the TWINS data. The spatial dependence of the pitch angle anisotropy provides information relevant to ion precipitation and lifetimes of trapped ring current ions not available from in situ measurements.
Intrusive large igneous provinces below sedimentary basins: An example from the Exmouth Plateau (NW Australia)
Authors: Rohrman Max 
Published: July 2013

AbstractLarge igneous provinces (LIPs) are commonly characterized by extrusion of huge outpourings of flood basalts. However, some LIPs associated with thick sedimentary basins display mainly intrusive sill and dike complexes and a relative absence of extrusives as evidenced on the Exmouth Plateau. Here a breakup‐related 150 km × 400 km sill complex imaged on seismic reflection data intruded mainly Triassic sedimentary rocks between the Late Jurassic and the Early Cretaceous. The sill complex is most likely sourced by a mafic or an ultramafic magma chamber, seismically imaged as a high‐velocity body (HVB) and covering ~16 × 104 km2. This magma chamber is located at the base of the crust and did not generate extrusives. Simple hydrostatic calculations suggest that melt became vertically arrested in the basin sediments, primarily owing to a reduction in the magmatic overpressure gradient as a result of the differences between fracture and melt gradients controlled by upward decreasing densities of the basin fill. Furthermore, magma overpressures at the source between 5 and 20 MPa are required to explain the presence of sill complexes at 4–11 km depth, indicating that the HVB is the source of the sill/dike complex on the Exmouth Plateau. The extent and outline of the HVB places constraints on the origin of magmatism and LIP formation. In combination with published data, the results suggest a thermal anomaly (upwelling or plume) source for the observed magmatism.
Numerical modeling of cloud chemistry effects on isocyanic acid (HNCO)
Authors: Barth M. C. , Cochran A. K. , Fiddler M. N. , Roberts J. M. , Bililign S. 
Published: July 2013

AbstractIsocyanic acid (HNCO), a product of some combustion processes, can potentially have negative human health effects. While gas phase HNCO loss processes are slow, HNCO loss in the aqueous phase is much faster. The fate of HNCO is studied for different cloud chemistry conditions using a zero‐dimensional chemical box model. Exposure to clouds reduces HNCO concentrations substantially under typical cumulus cloud conditions, resulting in the chemical lifetime of HNCO dropping to ~2 h compared to clear‐sky conditions of several years. The effect of clouds on HNCO is strongly dependent on the pH and temperature, with more HNCO hydrolyzed at lower pH (more acidic drops) and higher temperatures. Thus, HNCO is most efficiently removed by fog or low‐level stratus clouds and least efficiently removed under middle to upper troposphere conditions where cumulonimbus and pyrocumulus clouds reside. Deliquesced aerosols may be highly efficient at reducing HNCO concentrations.