bluuebunny/crossref_metadata_2025_split huggingface dataset:
Molecular Electrostatic Potentials from Invariom Point Charges
Authors: Wandtke Claudia M. , Lübben Jens , Dittrich Birger 
Published: March 2016

AbstractA set of look‐up point charges for generating molecular electrostatic potentials is provided. The set relies on atom classification of the invariom database, which has already been applied to assign aspherical scattering factors in single‐crystal X‐ray diffraction. The focus of the investigation is on improving the accuracy of electrostatic potentials calculated by using tabulated point charges. In this respect, the performance of invariom point charges is compared with 1) those from a restrained fit to the electrostatic potential directly following quantum‐chemical DFT computations, 2) semi‐empirical AM1‐bcc charges, and 3) conceptually similar TPACM4 look‐up charges. Invariom classification gives charges that perform better than those from TPACM4, although tabulated charges remain inferior to those from molecule‐specific computations. Point‐charge electrostatic potentials also agree favorably with those from charge‐density studies on the basis of X‐ray experiments, without requiring the considerable effort of the latter.
Liquid‐Phase Epitaxially Grown Metal–Organic Framework Thin Films for Efficient Tandem Catalysis Through Site‐Isolation of Catalytic Centers
Authors: Beyzavi M. Hassan , Vermeulen Nicolaas A. , Zhang Kainan , So Monica , Kung Chung‐Wei , Hupp Joseph T. , Farha Omar K. 
Published: March 2016

AbstractA functional metal–organic framework (MOF) composed of robust porphyrinic material (RPM) based on the pillared‐paddlewheel topology is prepared with large 3 D channels, and is used to perform a tandem epoxidation/CO2 insertion reaction. The designated system benefits from two metalloporphyrins: 1) a Mn‐porphyrin, which catalyzes the epoxidation of an olefin substrate, and 2) a Zn‐porphyrin, which catalyzes the epoxide opening. By using an automated liquid‐phase epitaxial growth system, the RPM‐MOF is also prepared in layer‐by‐layer fashion as an ultrathin film on a self‐assembled‐monolayer‐coated silicon platform. Deployed as a tandem catalyst, the film version yields a substantially higher catalytic turnover number for tandem methoxy‐styrene epoxidation followed by CO2 insertion than the bulk crystalline MOF samples.
Catalytic Isomerization of Biomass‐Derived Aldoses: A Review
Authors: Delidovich Irina , Palkovits Regina 
Published: March 2016

AbstractInvited for this month's cover are Irina Delidovich and Regina Palkovits from RWTH Aachen University. The mini‐installation of sugar cubes and granulated sugar with chemical equations of isomerization reactions written on it represents a renewable feedstock for producing a broad range of valuable products. Our Review summarizes recent advances on chemocatalytic isomerization. The Review itself is available at 10.1002/cssc.201501577.
Expression of death receptor 3 on peripheral blood mononuclear cells differes in adult IBD patients and children with newly diagnosed IBD
Authors: Slebioda Tomasz J. , Bojarska‐Junak Agnieszka , Cyman Marta , Landowski Piotr , Kaminska Barbara , Celinski Krzysztof , Kmiec Zbigniew 
Published: March 2016

BackgroundInteraction between TL1A and death receptor 3 (DR3) is associated with the pathogenesis of inflammatory bowel disease (IBD), although their role in the development of this disease remains not fully explained. Some studies showed elevated expression of TL1A and DR3 in inflamed intestinal tissue but currently there are no reports concerning expression of DR3 on peripheral blood mononuclear cells (PBMCs) of IBD patients which was the subject of our study.MethodsWe performed flow cytometry analysis of DR3 expression on CD4(+), CD8(+), CD11c(+), CD14(+) or CD20(+) PBMCs of adults and children with IBD and healthy volunteers with respect to C‐reactive protein (CRP) levels in blood. Blood samples were collected from pediatric patients before the beginning of therapy, whereas adults patients were undergoing anti‐inflammatory IBD treatment and had much lower CRP levels.ResultsWith regard to appropriate healthy volunteers, children with IBD had elevated percentage of DR3‐expressing CD4(+), CD8(+), CD11c(+) and CD20(+) PBMCs which, with the exception of DR3(+) CD11c(+) cells in children with ulcerative colitis, was correlated with CRP level in blood. Adult patients had increased frequency of DR3(+) CD8(+) and CD20(+) PBMCs and their CRP levels correlated only with DR3(+) CD8(+) cells.ConclusionsIn comparison to healthy volunteers, untreated children with IBD have higher percentage of DR3(+) PBMCs than adults with IBD undergoing anti‐inflammatory treatment. In most of the investigated PBMCs populations, the frequency of DR3(+) cells is correlated with the level of CRP. We suggest anti‐inflammatory treatment may lead to reduction in the frequency of DR3(+) PBMCs. © 2016 International Clinical Cytometry Society
Temporal dynamics of arousal and attention in 12‐month‐old infants
Authors: Wass S. V. , Clackson K. , de Barbaro K. 
Published: March 2016

ABSTRACTResearch from the animal literature suggests that dynamic, ongoing changes in arousal lead to dynamic changes in an individual's state of anticipatory readiness, influencing how individuals distribute their attention to the environment. However, multiple peripheral indices exist for studying arousal in humans, each showing change on different temporal scales, challenging whether arousal is best characterized as a unitary or a heterogeneous construct. Here, in 53 typical 12‐month‐olds, we recorded heart rate (HR), head movement patterns, electrodermal activity (EDA), and attention (indexed via look duration) during the presentation of 20 min of mixed animations and TV clips. We also examined triggers for high arousal episodes. Using cross‐correlations and auto‐correlations, we found that HR and head movement show strong covariance on a sub‐minute scale, with changes in head movement consistently preceding changes in HR. EDA showed significant covariance with both, but on much larger time‐scales. HR and head movement showed consistent relationships with look duration, but the relationship is temporally specific: relations are observed between head movement, HR and look duration at 30 s time‐lag, but not at larger time intervals. No comparable relationships were found for EDA. Changes in head movement and HR occurred before changes in look duration, but not for EDA. Our results suggest that consistent patterns of covariation between heart rate, head movement and EDA can be identified, albeit on different time‐scales, and that associations with look duration are present for head movement and heart rate, but not for EDA. Our results suggests that there is a single construct of arousal that can identified across multiple measures, and that phasic changes in arousal precede phasic changes in look duration. © 2016 Wiley Periodicals, Inc. Dev Psychobiol 58: 623–639, 2016.
Effects of algal food quality on sexual reproduction of Daphnia magna
Authors: Choi Jong‐Yun , Kim Seong‐Ki , La Geung‐Hwan , Chang Kwang‐Hyeon , Kim Dong‐Kyun , Jeong Keon‐Young , Park Min S. , Joo Gea‐Jae , Kim Hyun‐Woo , Jeong Kwang‐Seuk 
Published: March 2016

AbstractThe objective of our study was to investigate sexual reproduction of Daphnia magna associated with mating behaviors and hatching rates, according to different algal food sources. Since a diatom is known to contain more abundant long‐chain poly unsaturated fatty acids (PUFAs), we hypothesized that the diatom‐consuming D. magna would exhibit more successful reproduction rates. Upon the hypothesis, we designed three experiments using two algal species, a green alga (Chlorella vulgaris) and a diatom (Stephanodiscus hantzschii). From the results, we found that the mating frequency and copulation duration increased in the treatment with S. hantzschii, resulting in a significant increase of hatching rates of resting eggs. In the other two repetitive mating strategies (e.g., one female vs. multiple males, and one male vs. multiple females), we found that the hatching rates of resting eggs were greater in the S. hantzschii treatment. In addition to the mating strategy, male body size significantly increased in the diatom treatment, hence average diameter of penis was also statistically different among the treatments (greater diameter in the S. hantzschii treatment). To examine the effect of algal food quality, we estimated quantity of fatty acids in the two algal species. Our result showed that S. hantzschii had a higher proportion of long‐chain PUFAs than C. vulgaris. Furthermore, a stable isotope analysis revealed that carbon and nitrogen originated from S. hantzschii were more assimilated to D. magna. In summary, our study manifested that diatom consumption of D. magna leads to more successful sexual reproduction. We then discussed how the diatom consumption of zooplankton influences food web dynamics in a freshwater ecosystem.
A multi‐criteria BS switching‐off algorithm for 5G heterogeneous cellular networks with hybrid energy sources
Authors: Suárez Luis , Nuaymi Loutfi , Grace David , Rehan Salahedin , Bonnin Jean‐Marie 
Published: March 2016

AbstractIn this paper, we study base station (BS) switching‐off and offloading for the next‐generation 5G‐heterogeneous (macro/femto) networks supplied with hybrid energy sources. This type of network will form the basis of the high‐data rate energy‐efficient cellular networks in the years to come. A novel generalised‐multimetric algorithm is presented. Our proposal is conceived to operate in highly heterogeneous radio access network environments, as expected for 5G, where BSs with different characteristics of coverage, radio resources and power consumption coexist. The approach uses a set of metrics with a modifiable priority hierarchy in order to filter, sort and select the BS neighbours, which receive traffic during redistribution and offloading of the BSs to be put into sleep mode. In our analysis, we study the impact of BS power model trends for active, idle and sleep modes on the BS switching‐off. We highlight how the continuous evolution of BS components and the introduction of renewable energy technologies play a significant role to be considered in the decision‐making. The multimetric approach proposed makes it possible to define and accomplish defined network performance goals by adding specific emphasis on aspects like QoS energy savings or green equipment utilisation. Copyright © 2016 John Wiley & Sons, Ltd.
Removing Forecasting Errors with White Gaussian Noise after Square Root Transformation
Authors: Yang Zheng‐Ling , Liu Ya‐Di , Zhu Xin‐Shan , Chen Xi , Zhang Jun 
Published: March 2016

AbstractAn analytical model has been developed in the present paper based on a square root transformation of white Gaussian noise. The mathematical expectation and variance of the new asymmetric distribution generated by white Gaussian noise after a square root transformation are analytically deduced from the preceding four terms of the Taylor expansion. The model was first evaluated against numerical experiments and a good agreement was obtained. The model was then used to predict time series of wind speeds and highway traffic flows. The simulation results from the new model indicate that the prediction accuracy could be improved by 0.1–1% by removing the mean errors. Further improvement could be obtained for non‐stationary time series, which had large trends. Copyright © 2016 John Wiley & Sons, Ltd.
The development of Attitudes of People from Ethnic Minorities to Help‐Seeking for Dementia (APEND): a questionnaire to measure attitudes to help‐seeking for dementia in people from South Asian backgrounds in the UK
Authors: Hailstone Julia , Mukadam Naaheed , Owen Tamsin , Cooper Claudia , Livingston Gill 
Published: March 2016

BackgroundPeople from South Asian backgrounds present to dementia services relatively late, often responding to crises. We aimed to devise and validate a theory of planned behaviour questionnaire to measure attitudes that predict medical help‐seeking for UK‐based South Asian people, to assess the effectiveness of future interventions promoting earlier help‐seeking.MethodsWe used focus groups to establish the content validity of culturally relevant questionnaire items, then asked participants to complete the questionnaire. We analysed reliability and validity and established the concurrent validity of questionnaire attitudes through correlation with willingness to seek help from a doctor for memory problems. We also correlated the scale with knowledge of dementia.ResultsThe strongest predictor of willingness to seek help was perceived social pressure from significant others around help‐seeking; these attitudes were associated with beliefs about the views of family members and embarrassment around help‐seeking. Willingness to seek help was also strongly associated with attitudes about the benefits of seeing a doctor for memory problems, attitudes that were related to specific beliefs about what doctors can do to help. Attitudes in the questionnaire predicted 77% of variance in willingness to seek help, but no relationship was found with dementia knowledge.ConclusionsWe present the Attitudes of People from Ethnic Minorities to Help‐Seeking for Dementia (APEND) questionnaire, a valid and reliable measure of attitudes that influence help‐seeking for dementia in people from South Asian backgrounds, which could assess the impact of intervention studies. We suggest that interventions target attitudes specified here, rather than dementia knowledge. Copyright © 2016 John Wiley & Sons, Ltd.
Sleep disturbances are key symptoms of very early stage Alzheimer disease with behavioral and psychological symptoms: a Japan multi‐center cross‐sectional study (J‐BIRD)
Authors: Kabeshita Yasunobu , Adachi Hiroyoshi , Matsushita Masateru , Kanemoto Hideki , Sato Shunsuke , Suzuki Yukiko , Yoshiyama Kenji , Shimomura Tatsuo , Yoshida Taku , Shimizu Hideaki , Matsumoto Teruhisa , Mori Takaaki , Kashibayashi Tetsuo , Tanaka Hibiki , Hatada Yutaka , Hashimoto Mamoru , Nishio Yoshiyuki , Komori Kenjiro , Tanaka Toshihisa , Yokoyama Kazumasa , Tanimukai Satoshi , Ikeda Manabu , Takeda Masatoshi , Mori Etsuro , Kudo Takashi , Kazui Hiroaki 
Published: March 2016

BackgroundSleep disturbances in Alzheimer disease (AD) may affect behavioral and psychological symptoms of dementia (BPSD). Our aim was to elucidate the associations between sleep disturbances and other BPSD at different stages of AD.MethodsThis investigation was part of a multicenter‐retrospective study in Japan (J‐BIRD). Eligible for final analyses were 684 AD patients. Global severity of dementia was estimated using the Clinical Dementia Rating (CDR) scale. BPSD were assessed using the Neuropsychiatric Inventory (NPI). We analyzed the relationships between sleep disturbances and BPSD at different stages of AD according to the CDR score.ResultsAmong the 684 AD patients, 146 (21.3%) had sleep disturbances. Patients with very early AD (CDR 0.5) and sleep disturbances had significantly more BPSD than those without sleep disturbances, as indicated by the higher prevalence of the following four NPI items: anxiety, euphoria, disinhibition, and aberrant motor behavior. In AD at CDR 2, (moderate AD) only one NPI item (irritability) was affected, while none was affected at CDR 1 (mild AD) and 3 (severe AD). Multiple regression analyses were performed in those with AD having various CDR scores. At CDR 0.5, the presence of sleep disturbances was associated with a high total NPI score (β = 0.32, p < 0.001). However, other factors, including cognitive decline, age, gender, and years of education, were not significantly associated with the NPI score. At CDR 1 and 2, no factor was significantly related to BPSD.ConclusionSleep disturbances were strongly associated with other BPSD in the very early stage of AD. Copyright © 2016 John Wiley & Sons, Ltd.
Why Bioethics Needs a Disability Moral Psychology
Authors: Stramondo Joseph A. 
Published: March 2016

AbstractThe deeply entrenched, sometimes heated conflict between the disability movement and the profession of bioethics is well known and well documented. Critiques of prenatal diagnosis and selective abortion are probably the most salient and most sophisticated of disability studies scholars’ engagements with bioethics, but there are many other topics over which disability activists and scholars have encountered the field of bioethics in an adversarial way, including health care rationing, growth‐attenuation interventions, assisted reproduction technology, and physician‐assisted suicide.The tension between the analyses of the disabilities studies scholars and mainstream bioethics is not merely a conflict between two insular political groups, however; it is, rather, also an encounter between those who have experienced disability and those who have not. This paper explores that idea. I maintain that it is a mistake to think of this conflict as arising just from a difference in ideology or political commitments because it represents a much deeper difference—one rooted in variations in how human beings perceive and reason about moral problems. These are what I will refer to as variations of moral psychology. The lived experiences of disability produce variations in moral psychology that are at the heart of the moral conflict between the disability movement and mainstream bioethics. I will illustrate this point by exploring how the disability movement and mainstream bioethics come into conflict when perceiving and analyzing the moral problem of physician‐assisted suicide via the lens of the principle of respect for autonomy. To reconcile its contemporary and historical conflict with the disability movement, the field of bioethics must engage with and fully consider the two groups’ differences in moral perception and reasoning, not just the explicit moral and political arguments of the disability movement.
Comparing Raman and fluorescence lifetime spectroscopy from human atherosclerotic lesions using a bimodal probe
Authors: Dochow Sebastian , Fatakdawala Hussain , Phipps Jennifer E. , Ma Dinglong , Bocklitz Thomas , Schmitt Michael , Bishop John W. , Margulies Kenneth B. , Marcu Laura , Popp Jürgen 
Published: March 2016

Fluorescence lifetime imaging (FLIm) and Raman spectroscopy are two promising methods to support morphological intravascular imaging techniques with chemical contrast. Both approaches are complementary and may also be used in combination with OCT/IVUS to add chemical specificity to these morphologic intravascular imaging modalities. In this contribution, both modalities were simultaneously acquired from two human coronary specimens using a bimodal probe. A previously trained SVM model was used to interpret the fluorescence lifetime data; integrated band intensities displayed in RGB false color images were used to interpret the Raman data. Both modalities demonstrate unique strengths and weaknesses and these will be discussed in comparison to histologic analyses from the two coronary arteries imaged.
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Combination of non‐thermal plasma and biotrickling filter for chlorobenzene removal
Authors: Jiang Liying , Li Hui , Chen Jianmeng , Zhang Di , Cao Shuling , Ye Jiexu 
Published: March 2016

AbstractBACKGROUNDNon‐thermal plasma (NTP) combined with a biotrickling filter (BTF) system is an alternative process to remove volatile organic compounds (VOCs). The removal performance of this system and the factors that influence it, namely, initial concentration, specific input energy, empty‐bed residence time, and inlet loading rate, were studied.RESULTSThe coupled system exhibited better removal of chlorobenzene compared with the single‐BTF system. Analysis of CO2 production revealed that the coupled system affords higher production of CO2 and greater mineralization of chlorobenzene. A decrease in biomass accumulation and pressure drop in the coupled system greater than that in the single‐BTF reactor were observed. These results indicate that NTP pretreatment may be an efficient strategy for reducing bioreactor clogging without damaging the BTF performance. Analysis of the alpha diversity and microbial communities of the two BTFs by high‐throughput sequencing revealed that the biological diversity and biomass content of the single‐BTF system were higher than those of the coupled system.CONCLUSIONSince the combined NTP–BTF system is highly efficient, it may be a promising system for VOCs degradation. © 2016 Society of Chemical Industry
Silk fibroin scaffold as a potential choice for female pelvic reconstruction: A study on the biocompatibility in abdominal wall, pelvic, and vagina
Authors: Chang Yue , Sun Xiuli , Li Qi , Ding Xili , Liu Haifeng , Wang Jianliu 
Published: March 2016

ABSTRACTThe aim of this study was to compare the tissue reactions to silk fibroin scaffolds in the abdominal wall, vagina, and pelvic vesico‐uterine of rats. Silk fibroin scaffolds were implanted subcutaneously in the abdominal, pelvic vesico‐uterine space, and under the vaginal mucosa of 16 rats. The animals were euthanized at 2, 4, 8, and 12 weeks postoperatively. Hematoxylin and eosin staining was performed to evaluate cellular infiltration, the percentage of macrophages and granulocytes inside and around the scaffolds. The amounts of M1/M2 macrophages at the interface of scaffolds and host tissue were evaluated through an immunofluorescence assay. The degree of acute inflammation was similar among the three groups, and lasted no more than 4 weeks. A faster ingrowth of fibroblasts was found in the abdominally implanted silk fibroin scaffolds, while vaginal implanted scaffolds committed a slower tissue ingrowth rate and much more macrophages infiltration than the pelvic and abdominal group. However, a significantly higher amount of M2 cells were seen in the three groups. In general, silk fibroin has nice biocompatibility in the abdominal, vagina, and pelvic tissue, eliciting healthy tissue formation, and might be a potential choice for female pelvic reconstruction. Microsc. Res. Tech. 80:291–297, 2017. © 2016 Wiley Periodicals, Inc.
Mapping phase diagrams of supported lipid bilayers by atomic force microscopy
Authors: Borrell Jordi H. , Montero M. Teresa , Domènech Òscar 
Published: March 2016

ABSTRACTIn this work, we present the method followed to construct a pseudophase diagram of two phospholipids: 1‐palmitoyl‐2‐oleoyl‐sn‐glycero‐3‐phosphoethanolamine and 1‐palmitoyl‐2‐oleoyl‐sn‐glycero‐3‐phospho‐(1′‐rac‐glycerol). Two different techniques, DSC and AFM, have been used based in the determination of the onset (Tonset) and completion (Toffset) temperatures of the gel‐to‐liquid crystalline phases (Lβ→Lα), the first from the endotherms from liposomes and the second from the topographic images of supported lipid bilayers. The features of both phase diagrams are discussed emphasizing the influence of Ca2+ presence and the substrate (mica) on the transition undergone by the phospholipid mixture. Microsc. Res. Tech. 80:4–10, 2017. © 2016 Wiley Periodicals, Inc.