bluuebunny/crossref_metadata_2025_split huggingface dataset:
Mechanochemical Synthesis of CPM‐5: A Green Method
Authors: Bahri Mitra , Kazemian Hossein , Rohani Sohrab , Haghighat Fariborz 
Published: September 2016

AbstractThe development of green technologies for the manufacture of various materials is considered as one of the approaches to address some of the environmental issues of commercializing new materials. A mechanochemical (MC) method is developed to synthesize crystalline porous material‐5 (CPM‐5). The effect of different mechanical parameters, including oscillation frequency and time and the number of metal balls used for milling is studied. Results revealed that CPM‐5 crystals are successfully formed under optimized conditions. It was noted that the thermal treatment of the samples after grinding is very crucial for the formation of CPM‐5 under the studied conditions. Moreover, washing of samples with a 1:1 solution of dimethylformamide (DMF):H2O remarkably enhanced the surface area of the final product.
Exciton‐Vibrational Couplings in Homo‐ and Heterodimer Stacks of Perylene Bisimide Dyes within Cyclophanes: Studies on Absorption Properties and Theoretical Analysis
Authors: Bialas David , Brüning Christoph , Schlosser Felix , Fimmel Benjamin , Thein Johannes , Engel Volker , Würthner Frank 
Published: September 2016

AbstractThe optical properties of a series of three cyclophanes comprising either identical or different perylene bisimide (PBI) chromophores were studied by UV/Vis absorption spectroscopy and their distinctive spectral features were analyzed. All the investigated cyclophanes show significantly different absorption features with respect to the corresponding constituent PBI monomers indicating strong coupling interactions between the PBI units within the cyclophanes. DFT calculations suggest a π‐stacked arrangement of the PBI units at close van der Waals distance in the cyclophanes with rotational displacement. Simulations of the absorption spectra based on time‐dependent quantum mechanics properly reproduced the experimental spectra, revealing exciton‐vibrational coupling between the chromophores both in homo‐ and heterodimer stacks. The PBI cyclophane comprising two different PBI chromophores represents the first example of a PBI heterodimer stack for which the exciton coupling has been investigated. The quantum dynamics analysis reveals that exciton coupling in heteroaggregates is indeed of similar strength as for homoaggregates.
Probing Polyoxometalate–Protein Interactions Using Molecular Dynamics Simulations
Authors: Solé‐Daura Albert , Goovaerts Vincent , Stroobants Karen , Absillis Gregory , Jiménez‐Lozano Pablo , Poblet Josep M. , Hirst Jonathan D. , Parac‐Vogt Tatjana N. , Carbó Jorge J. 
Published: September 2016

AbstractInvited for the cover of this issue is the group of Jorge J. Carbó at the University Rovira i Virgili. The image depicts the influence of polyoxometalate properties on their interactions with biomolecules. Read the full text of the article at 10.1002/chem.201602263.
The performance of MIMO system using MRT scheme in vehicular systems
Authors: Ilhan Haci 
Published: September 2016

SummaryIn this paper an inter‐vehicle multiple‐input multiple‐output system using maximal ratio transmission (MRT) scheme is proposed, and its performance is investigated where the proposed system uses multiple antennas for transmission and reception. It has the advantage of increasing effectively the diversity order without changing the receiver. As far as we know, MRT has not been employed in vehicular systems to improve system performance. Specifically, error performance of the MRT with different number of antennas at the transmitting and receiving stations has been examined, ie, MRT (2, 1) and MRT (2, 2) in a vehicular system in which cascaded Nakagami‐m fading distribution used. First, we derive expressions of probability distribution function and then moment generating function of end‐to‐end signal‐to‐noise ratio. Based on these expressions, we obtain the symbol error rate expression on account of examining the performance of the considered system. Then, the upper bounds for the symbol error rate expressions for high enough signal‐to‐noise ratio values have been calculated. Finally, we validate the confirmation of obtained theoretical results through simulation results and furthermore show that the multiple‐input multiple‐output system using MRT scheme can provide the full diversity.
The effect of acute weight restoration on dietary fat preference in hospitalized patients with anorexia nervosa
Authors: Schebendach Janet E. , Call Christine C. , Attia Evelyn , Devlin Michael J. , Timothy Walsh B. , Mayer Laurel E.S. 
Published: September 2016

ABSTRACTObjectiveIndividuals with anorexia nervosa (AN) restrict fat intake. The Geiselman Food Preference Questionnaire‐I© (FPQ) is a validated self‐report instrument that yields a fat preference score (>100 = high fat preference, <100 = low fat preference). The goal of the study was to assess the utility of the FPQ in patients with AN. Specific aims: (1) to examine change in fat preference scores before and after weight restoration in hospitalized patients; and (2) to compare patients' scores before and after weight restoration to scores from healthy participants (HPs).MethodThe FPQ was completed by 88 patients and 115 HPs.ResultsCompared with HPs, patients had significantly lower fat preference scores before (74.03 ± 32.03 vs. 102.93 ± 16.89, P < 0.001) and after (81.51 ± 26.89 vs. 102.92 ± 16.89, P < 0.001) weight restoration. Fat preference scores increased with weight gain (74.03 + 32.03 vs. 81.51 + 26.89, P < 0.01) but did not normalize in AN.DiscussionAcutely weight restored patients continue to endorse decreased preference for high fat foods. The FPQ may be a useful metric by which to assess improvements in diet during treatment. Further study is warranted to validate the FPQ against observed food intake in AN. © 2016 Wiley Periodicals, Inc.(Int J Eat Disord 2017; 50:148–151)
Empirically derived personality subtyping for predicting clinical symptoms and treatment response in bulimia nervosa
Authors: Haynos Ann F. , Pearson Carolyn M. , Utzinger Linsey M. , Wonderlich Stephen A. , Crosby Ross D. , Mitchell James E. , Crow Scott J. , Peterson Carol B. 
Published: September 2016

ABSTRACTObjectiveEvidence suggests that eating disorder subtypes reflecting under‐controlled, over‐controlled, and low psychopathology personality traits constitute reliable phenotypes that differentiate treatment response. This study is the first to use statistical analyses to identify these subtypes within treatment‐seeking individuals with bulimia nervosa (BN) and to use these statistically derived clusters to predict clinical outcomes.MethodsUsing variables from the Dimensional Assessment of Personality Pathology‐Basic Questionnaire, K‐means cluster analyses identified under‐controlled, over‐controlled, and low psychopathology subtypes within BN patients (n = 80) enrolled in a treatment trial. Generalized linear models examined the impact of personality subtypes on Eating Disorder Examination global score, binge eating frequency, and purging frequency cross‐sectionally at baseline and longitudinally at end of treatment (EOT) and follow‐up. In the longitudinal models, secondary analyses were conducted to examine personality subtype as a potential moderator of response to Cognitive Behavioral Therapy‐Enhanced (CBT‐E) or Integrative Cognitive‐Affective Therapy for BN (ICAT‐BN).ResultsThere were no baseline clinical differences between groups. In the longitudinal models, personality subtype predicted binge eating (p = 0.03) and purging (p = 0.01) frequency at EOT and binge eating frequency at follow‐up (p = 0.045). The over‐controlled group demonstrated the best outcomes on these variables. In secondary analyses, there was a treatment by subtype interaction for purging at follow‐up (p = 0.04), which indicated a superiority of CBT‐E over ICAT‐BN for reducing purging among the over‐controlled group.DiscussionEmpirically derived personality subtyping appears to be a valid classification system with potential to guide eating disorder treatment decisions. © 2016 Wiley Periodicals, Inc.(Int J Eat Disord 2017; 50:506–514)
Environmental variability and population dynamics: do European and North American ducks play by the same rules?
Authors: Pöysä Hannu , Rintala Jukka , Johnson Douglas H. , Kauppinen Jukka , Lammi Esa , Nudds Thomas D. , Väänänen Veli‐Matti 
Published: September 2016

AbstractDensity dependence, population regulation, and variability in population size are fundamental population processes, the manifestation and interrelationships of which are affected by environmental variability. However, there are surprisingly few empirical studies that distinguish the effect of environmental variability from the effects of population processes. We took advantage of a unique system, in which populations of the same duck species or close ecological counterparts live in highly variable (north American prairies) and in stable (north European lakes) environments, to distinguish the relative contributions of environmental variability (measured as between‐year fluctuations in wetland numbers) and intraspecific interactions (density dependence) in driving population dynamics. We tested whether populations living in stable environments (in northern Europe) were more strongly governed by density dependence than populations living in variable environments (in North America). We also addressed whether relative population dynamical responses to environmental variability versus density corresponded to differences in life history strategies between dabbling (relatively “fast species” and governed by environmental variability) and diving (relatively “slow species” and governed by density) ducks. As expected, the variance component of population fluctuations caused by changes in breeding environments was greater in North America than in Europe. Contrary to expectations, however, populations in more stable environments were not less variable nor clearly more strongly density dependent than populations in highly variable environments. Also, contrary to expectations, populations of diving ducks were neither more stable nor stronger density dependent than populations of dabbling ducks, and the effect of environmental variability on population dynamics was greater in diving than in dabbling ducks. In general, irrespective of continent and species life history, environmental variability contributed more to variation in species abundances than did density. Our findings underscore the need for more studies on populations of the same species in different environments to verify the generality of current explanations about population dynamics and its association with species life history.
Geographic dialects in volatile communication between sagebrush individuals
Authors: Karban Richard , Wetzel William C. , Shiojiri Kaori , Pezzola Enrico , Blande James D. 
Published: September 2016

AbstractPlants respond to volatile cues emitted by damaged neighbors to increase their defenses against herbivores. We examined whether plants communicated more effectively with local neighbors than distant neighbors in a reciprocal experiment at two sites. Three branches on focal plants were incubated with air from (1) a control, (2) an experimentally clipped “foreign” plant from 230 km away, or (3) an experimentally clipped “local” plant from the same population as the focal plant. Branches incubated with air from the controls experienced 50–80% more leaf damage than those receiving air from experimentally clipped plants. Of more interest, branches receiving volatiles from experimentally clipped “local” plants received 50–65% of the leaf damage as those receiving volatiles from experimentally clipped “foreign” plants. Sabinyl compounds and related terpinenes were found to differ consistently for plants from southern and northern sites. These results indicate that cues vary geographically in their effectiveness and suggest that sagebrush responds more strongly to local than foreign dialects.
Population dynamics, synchrony, and environmental quality of Hokkaido voles lead to temporal and spatial Taylor's laws
Authors: Cohen Joel E. , Saitoh Takashi 
Published: September 2016

AbstractTaylor's law (TL) asserts that the variance in a species’ population density is a power‐law function of its mean population density: log(variance) = a + b × log(mean). TL is widely verified. We show here that empirical time series of density of the Hokkaido gray‐sided vole, Myodes rufocanus, sampled 1962–1992 at 85 locations, satisfied temporal and spatial forms of TL. The slopes (b ± standard error) of the temporal and spatial TL were estimated to be 1.613 ± 0.141 and 1.430 ± 0.132, respectively. A previously verified autoregressive Gompertz model of the dynamics of these populations generated time series of density which reproduced the form of temporal and spatial TLs, but with slopes that were significantly steeper than the slopes estimated from data. The density‐dependent components of the Gompertz model were essential for the temporal TL. Adding to the Gompertz model assumptions that populations with higher mean density have reduced variance of density‐independent perturbations and that density‐independent perturbations are spatially correlated among populations yielded simulated time series that satisfactorily reproduced the slopes from data. The slopes (b ± standard error) of the enhanced simulations were 1.619 ± 0.199 for temporal TL and 1.575 ± 0.204 for spatial TL.
Synthesis, optical, and electrochemical properties, and theoretical calculations of BODIPY containing triphenylamine
Authors: Wanwong Sompit , Surawatanawong Panida , Khumsubdee Sakunchai , Kanchanakungwankul Siriluk , Wootthikanokkhan Jatuphorn 
Published: September 2016

AbstractThe boron dipyrromethene (BODIPY) triads consisting of two triphenylamine units as electron donor (D) and BODIPY core as electron acceptor (A; B3, and B4) have been synthesized using facile palladium cross‐coupling reactions to broaden the absorption of the BODIPY dyes. All dyes and intermediates were characterized by 1H NMR, 11B NMR, 13C NMR, and 19F NMR spectroscopies, UV–Vis spectroscopy, fluorescence spectroscopy, cyclic voltammetry, and time‐dependent density functional theory calculations. It was found that an increase in conjugation to the BODIPY core systematically extended the absorption and emission wavelength maxima. As a consequence, B4 containing the D–π–A–π–D structure, exhibited the longest absorption and emission maxima at 597 and 700 nm, respectively, with 1.8 eV in optical bandgap. The 96 nm red‐shifted absorption of B4 as compared to the unsubstituted BODIPY (B1) indicated the effective electronic communication between triphenylamine and BODIPY. This suggested that the proper alignment of triphenylamine and BODIPY triad could lead to broader absorption and suitable low energy bandgap. Furthermore, the molecular modeling has been employed to analyze the electronic and optical properties of the dyes. We found that the optical, electrochemical, and theoretical bandgaps of all dyes were in good agreement.
Biologic activity of cyclic and caged phosphates: a review
Authors: Lorke Dietrich E. , Stegmeier‐Petroianu Anka , Petroianu Georg A. 
Published: September 2016

AbstractThe recognition in the early 1960s by Morifusa Eto that tri‐o‐cresyl phosphate (TOCP) is hydroxylated by the cytochrome P450 system to an intermediate that spontaneously cyclizes to a neurotoxic phosphate (saligenin phosphate ester) ignited the interest in this group of compounds. Only the ortho isomer can cyclize and clinically cause Organo Phosphate Induced Delayed Neurotoxicity (OPIDN); the meta and para isomers of tri‐cresyl phosphate are not neuropathic because they are unable to form stable cyclic saligenin phosphate esters. This review identifies the diverse biological effects associated with various cyclic and caged phosphates and phosphonates and their possible use. Cyclic compounds that inhibit acetylcholine esterase (AChE), such as salithion, can be employed as pesticides. Others are neurotoxic, most probably because of inhibition of neuropathy target esterase (NTE). Cyclic phosphates that inhibit lipases, the cyclipostins, possibly represent promising therapeutic avenues for the treatment of type 2 diabetes mellitus and/or microbial infections; those compounds inhibiting β‐lactamase may prevent bacterial resistance against β‐lactam antibiotics. Naturally occurring cyclic phosphates, such as cyclic AMP, cyclic phosphatidic acid and the ryanodine receptor modulator cyclic adenosine diphosphate ribose, play an important physiological role in signal transduction. Moreover, some cyclic phosphates are GABA‐antagonists, while others are an essential component of Molybdenum‐containing enzymes. Some cyclic phosphates (cyclophosphamide, ifosfamide) are clinically used in tumor therapy, while the coupling of therapeutic agents with other cyclic phosphates (HepDirect® Technology) allows drugs to be targeted to specific organs. Possible clinical applications of these compounds are considered. Copyright © 2016 John Wiley & Sons, Ltd.
Inactivation of Staphylococcus aureus in water by means of solar photocatalysis using metal doped TiO2 semiconductors
Authors: Venieri Danae , Tournas Fanourios , Gounaki Iosifina , Binas Vassilios , Zachopoulos Apostolos , Kiriakidis George , Mantzavinos Dionissios 
Published: September 2016

AbstractBACKGROUNDThe need for clean water and high hygiene standards has led to the exploration of effective disinfection techniques for the elimination of persistent and pathogenic microorganisms. The disinfection potential of cation‐doped titania was investigated in terms of Staphylococcus aureus elimination in aqueous samples under artificial and natural sunlight.RESULTSFe‐, Al‐ and Cr‐doped TiO2 were prepared with dopant loadings of 0.04, 0.3 and 2 wt%. Cation doping resulted in absorption shifts into the visible region, thus rendering the use of solar light feasible. The relative activity for S. aureus inactivation decreased in the order Fe‐TiO2 > Al‐TiO2 > Cr‐TiO2 > P25. For example, an approximately 5 log reduction was obtained in 30, 10 and 6 min when Fe‐loading was 0.04, 0.3 and 2 wt%, respectively, at an initial bacterial concentration of 107 CFU mL−1 and a catalyst concentration of 50 mg L−1. The catalyst concentration in each case affected the overall process up to a certain extent. Scanning electron microscopy revealed interaction between the catalyst nanoparticles and bacterial cells during treatment, with significant alteration in their shape, morphology and size. Under natural sunlight conditions Fe‐TiO2 and Al‐TiO2 could achieve a 99.9% killing of S. aureus population after 60 min.CONCLUSIONIn a nutshell, solar photocatlysis with cation‐doped titania is an effective disinfection technology for adaptable and tolerant pathogens such as S. aureus. © 2016 Society of Chemical Industry
Mechanisms, prediction, and prevention of ACL injuries: Cut risk with three sharpened and validated tools
Authors: Hewett Timothy E. , Myer Gregory D. , Ford Kevin R. , Paterno Mark V. , Quatman Carmen E. 
Published: September 2016

ABSTRACTEconomic and societal pressures influence modern medical practice to develop and implement prevention strategies. Anterior cruciate ligament (ACL) injury devastates the knee joint leading to short term disability and long term sequelae. Due to the high risk of long term osteoarthritis in all treatment populations following ACL injury, prevention is the only effective intervention for this life‐altering disruption in knee health. The “Sequence of Prevention” Model provides a framework to monitor progress towards the ultimate goal of preventing ACL injuries. Utilizing this model, our multidisciplinary collaborative research team has spent the last decade working to delineate injury mechanisms, identify injury risk factors, predict which athletes are at‐risk for injury, and develop ACL injury prevention programs. Within this model of injury prevention, modifiable factors (biomechanical and neuromuscular) related to injury mechanisms likely provide the best opportunity for intervention strategies aimed to decrease the risk of ACL injury, particularly in female athletes. Knowledge advancements have led to the development of potential solutions that allow athletes to compete with lowered risk of ACL injury. Design and integration of personalized clinical assessment tools and targeted prevention strategies for athletes at high risk for ACL injury may transform current prevention practices and ultimately significantly reduce ACL injury incidence. This 2016 OREF Clinical Research Award focuses on the authors’ work and contributions to the field. The author's acknowledge the many research groups who have contributed to the current state of knowledge in the fields of ACL injury mechanisms, injury risk screening and injury prevention strategies. © 2016 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 34:1843–1855, 2016.
Polysiloxane‐Modified Tetraphenylethene: Synthesis, AIE Properties, and Sensor for Detecting Explosives
Authors: Li Qiaosheng , Yang Zhaomin , Ren Zhongjie , Yan Shouke 
Published: September 2016

Polysiloxane‐modified tetraphenylethene (PTPESi) is successfully synthesized by attaching tetraphenylethene (TPE) units onto methylvinyldiethoxylsiloxane and subsequent polycondensation. Introducing polysiloxane into TPE has minimal effect on the photophysical properties and aggregation‐induced emission behavior of TPE. The highest occupied and lowest unoccupied molecular orbital (HOMO and LUMO) energy levels of PTPESi are located mainly on the tetraphenylethene moieties. The fluorescence intensity and the half width of the emission peak of PTPESi before and after annealing at 120 °C for 12 h are nearly the same, indicating high thermal stability and morphological stability. In addition, use of PTPESi film as a sensor toward the vapor‐phase detection of explosives is also studied and it displays quite high fluorescence quenching efficiency and good reversibility.image
GPR40 mediates potential positive effects of a saturated fatty acid enriched diet on bone
Authors: Philippe Claire , Wauquier Fabien , Landrier Jean‐François , Bonnet Lauriane , Miot‐Noirault Elisabeth , Rochefort Gaël Y. , Sadoine Jérémy , Asrih Mohamed , Jornayvaz François R. , Bernalier Annick , Coxam Véronique , Wittrant Yohann 
Published: September 2016

ScopeThe stimulation of the free fatty acid receptor G‐protein coupled receptor (GPR) 40 by GW9508 prevents bone loss by inhibiting osteoclast activity, both in vitro and in vivo. Here, we questioned whether the stimulation of the GPR40 receptor by dietary fatty acids may lead to the same beneficial effect on bone.Methods and resultsWe investigated (i) the impact of a fatty acid enriched diet (high‐fat diet [HFD]) on bone health in C57/BL6 female mice depending on (ii) the estrogen status (ovariectomy) and (iii) the genotype (GPR40+/+ or GPR40−/−). Bone mineral density (BMD), body composition, weight, inflammation and bone remodeling parameters were monitored. HFD decreased BMD in HFD‐SH‐GPR40+/+ mice but OVX failed to further impact BMD in HFD‐OVX‐GPR40+/+mice, while additional bone loss was observed in HFD‐OVX‐GPR40−/− animals. These data suggest that when stimulated by fatty acid enriched diets GPR40 contributes to counteract ovariectomy‐induced bone alteration. The sparing effect is supported by the modulation of both the osteoprotegerin/receptor activator of nuclear factor kappa‐B ligand (OPG/RANKL) ratio in blood stream and the expression level of inflammatory markers in adipose tissues. Bone preservation by GPR40 stimulation is dependent on the presence of long‐chain saturated fatty acids.ConclusionGPR40 contributes to counter ovariectomy‐induced bone loss in a context of saturated fatty acid enrichment.