bluuebunny/crossref_metadata_2025 huggingface dataset:
Design, synthesis, and biological evaluation of novel 1,2‐diaryl‐4‐substituted‐benzylidene‐5(4H)‐imidazolone derivatives as cytotoxic agents and COX‐2/LOX inhibitors
Authors: Lamie Phoebe F. , Philoppes John N. , Rárová Lucie
Published: February 2018

A new series of 1,2‐diaryl‐4‐substituted‐benzylidene‐5(4H)‐imidazolone derivatives 4a–l was synthesized. Their structures were confirmed by different spectroscopic techniques (IR, 1H NMR, DEPT‐Q NMR, and mass spectroscopy) and elemental analyses. Their cytotoxic activities in vitro were evaluated against breast, ovarian, and liver cancer cell lines and also normal human skin fibroblasts. Cyclooxygenase (COX)‐1, COX‐2 and lipoxygenase (LOX) inhibitory activities were measured. The synthesized compounds showed selectivity toward COX‐2 rather than COX‐1, and the IC50 values (0.25–1.7 µM) were lower than that of indomethacin (IC50 = 9.47 µM) and somewhat higher than that of celecoxib (IC50 = 0.071 µM). The selectivity index for COX‐2 of the oxazole derivative 4e (SI = 3.67) was nearly equal to that of celecoxib (SI = 3.66). For the LOX inhibitory activity, the new compounds showed IC50 values of 0.02–74.03 µM, while the IC50 of the reference zileuton was 0.83 µM. The most active compound 4c (4‐chlorobenzoxazole derivative) was found to have dual COX‐2/LOX activity. All the synthesized compounds were docked inside the active site of the COX‐2 and LOX enzymes. They linked to COX‐2 through the N atom of the azole scaffold, while CO of the oxazolone moiety was responsible for the binding to amino acids inside the LOX active site.
Experimente zur Teilflächenpressung mit vorwiegend ebener Lastausbreitung
Authors: Schmidt‐Thrö Gerald , Tabka Bassem , Smarslik Mario , Scheufler Wolfgang , Fischer Oliver , Mark Peter
Published: February 2018

Die Teilflächenpressung bei ebener Lastausbreitung ist auf die 1,1‐fache Betondruckfestigkeit beschränkt. Das kann gerade bei kleinen Kontaktflächen wie bei Wandauflagern oder Tübbinglängsfugen bemessungsrelevant sein. Günstige Umschnürungswirkungen einer Bewehrung werden dabei nicht berücksichtigt.

Im Beitrag werden dazu Versuchsserien an der Technischen Universität München und der Ruhr‐Universität Bochum an bewehrten Großbetonbauteilen vorgestellt. Es zeigt sich, dass eine verformungsarme Verankerung von Bewehrung, z. B. geschweißte Spaltzugleitern, auch bei rein ebener Lastausbreitung erhebliche Laststeigerungen ermöglicht und dass nicht flächenaffine Ausbreitungsansätze zu treffenderen Tragfähigkeitsabschätzungen führen. Die Ergebnisse werden mit Literaturdaten zu Bemessungsansätzen für die Praxis aufgearbeitet. Die Ansätze unterscheiden sich hinsichtlich der Verformungsarmut der Verankerung der Spaltzugbewehrung und ermöglichen die sichere Aufnahme von z. T. deutlich erhöhten Kontaktpressungen.
Tragfähigkeit unbewehrter Betondruckglieder bei zweiachsig exzentrischer Beanspruchung
Authors: Förster Valentin , Graubner Carl‐Alexander
Published: February 2018

Druckglieder wie Stützen oder Wände dienen primär dem vertikalen Lastabtrag, müssen jedoch infolge der Verdrehung angrenzender Bauteile häufig auch Biegebeanspruchungen abtragen. Wenn das Druckglied neben einer Momentenbeanspruchung um die schwache Achse zusätzlich durch horizontale Aussteifungskräfte in Richtung der starken Achse beansprucht wird, erfährt es Biegung um zwei Achsen (schiefe Biegung).

Der Beitrag befasst sich mit der Tragfähigkeit schlanker unbewehrter Druckglieder aus Beton bei zweiachsig exzentrischer Beanspruchung. Dabei werden sowohl die bekannten Verfahren zur Ermittlung der Tragfähigkeit von zentrisch und einachsig exzentrisch beanspruchten Druckgliedern als auch die zugehörigen normativen Regelungen behandelt. Darauf aufbauend werden zwei praxisgerechte Vorschläge zur Tragfähigkeitsermittlung zweiachsig exzentrisch beanspruchter, unbewehrter Betondruckglieder dargestellt, welche sich einfach in die Norm integrieren lassen, wodurch bestehende Einschränkungen der normativen Regelungen behoben werden.
Oberflächenbearbeitung von frischen Betonflächen
Authors: Breitenbücher Rolf , Kilinc Hakan , Youn‐Čale Bou‐Young
Published: February 2018

Herrn Professor Dr.‐Ing. Jürgen Schnell zu seinem 65. Geburtstag gewidmet

Für die fachgerechte Bearbeitung von frischen Betonoberflächen, z. B. durch Glätten o. ä., sind Frischbetone erforderlich, die keine allzu hohe Klebrigkeit aufweisen. Hierfür sind in erster Linie die rheologischen Eigenschaften des Bindemittelleims bzw. des Mörtels im Beton relevant. Seit geraumer Zeit zeigen sich diesbezüglich immer wieder Probleme, insbesondere wenn Betone mit hohen Bindemittelgehalten und Fließmitteln auf PCE‐Basis hergestellt werden. Bislang sind für eine Überprüfung des Frischbetons auf der Baustelle in Bezug auf diese relevanten Eigenschaften keine einfachen und praxistauglichen Verfahren verfügbar. In orientierenden Untersuchungen wurde versucht, durch die Modifikation gängiger Prüfverfahren (Ausbreitversuch) und durch die Entwicklung neuer Verfahren (Kugel‐Einsinkversuch), das rheologische Verhalten des angelieferten Betons auch auf der Baustelle rasch und ausreichend genau bewerten zu können.
Using self‐monitoring and differential reinforcement of low rates of behavior to decrease repetitive behaviors: A case study
Authors: Looney Kate , DeQuinzio Jaime A. , Taylor Bridget A.
Published: February 2018

We used a reversal design to evaluate the effects of a self‐monitoring system and differential reinforcement of low rates of behavior on decreasing repetitive body movements in a child with autism. A trial‐based functional analysis revealed that repetitive body movements were maintained by automatic reinforcement. Treatment consisted of teaching the participant to use a self‐monitoring system to monitor the occurrence of repetitive body movements. A stimulus control analysis revealed the self‐monitoring system acquired stimulus control over the repetitive body movements, in that they were more likely to occur in the absence of the system than in its presence. The self‐monitoring system was implemented with a differential reinforcement of low rates of behavior, and their combined effects were evaluated within a reversal design. Repetitive body movements decreased with the implementation of the treatment. The use of self‐monitoring systems to target problem behavior is discussed.
Health-related quality of life after open transhiatal and transthoracic oesophagectomy for cancer
Authors: Kauppila J H , Johar A , Gossage J A , Davies A R , Zylstra J , Lagergren J , Lagergren P
Published: February 2018

Background

Transhiatal and transthoracic oesophagectomy in patients with oesophageal cancer have similar survival rates. Whether these approaches differ in health-related quality of life (HRQoL) is uncertain and was examined in this study.

Methods

Patients undergoing transhiatal or transthoracic surgery for lower-third oesophageal or gastro-oesophageal junctional cancer between 2011 and 2015 were selected from an institutional database. HRQoL outcomes were measured at 6 and 12 months after surgery using validated written questionnaires (European Organisation for Research and Treatment of Cancer QLQ-C30 and QLQ-OG25). Linear mixed models provided mean score differences (MSDs) with 95 per cent confidence intervals, adjusted for preoperative HRQoL, age, physical status (ASA fitness grade), tumour location, tumour stage, neoadjuvant therapy, adjuvant therapy and postoperative complications. MSD values of 10 or more were regarded as clinically relevant.

Results

Some 146 patients underwent transhiatal (86, 58·9 per cent) or transthoracic (60, 41·1 per cent) oesophagectomy. The HRQoL questionnaires were returned by 111 patients at 6 months and 74 at 12 months. At 6 months, transthoracic oesophagectomy was associated with worse role function (MSD –12, 95 per cent c.i. –23 to 0; P = 0·046). At 12 months, patients in the transthoracic group had more nausea and vomiting (MSD 11, 0 to 22; P = 0·045), dyspnoea (MSD 13, 1 to 25; P = 0·029) and constipation (MSD 20, 7 to 33; P = 0·003) than those in the transhiatal group.

Conclusion

Transhiatal oesophagectomy seems to offer better HRQoL than transthoracic oesophagectomy 6 and 12 months after surgery.
Comparison of the chromatographic fingerprint, multicomponent quantitation and antioxidant activity of Salvia miltiorrhiza Bge. between sweating and nonsweating
Authors: Li Guozhuan , Yu Fan , Wang Yanyan , Yao Liang , Qiu Zhen , Wang Ting , Wang Zhiqiang , Yang Fanglin , Peng Daiyin , Yu Nianjun , Chen Weidong
Published: February 2018

Salvia miltiorrhiza Bge. is a traditional Chinese medicine applied in the treatment of various diseases in clinical practice. In the course of its processing, S. miltiorrhiza Bge. is usually processed by sweating. This study employed 10‐component contents determination coupled with high‐performance liquid chromatography (HPLC) fingerprint and antioxidant activity to investigate the effect of sweating on S. miltiorrhiza Bge. so as to evaluate the quality of S. miltiorrhiza Bge. The HPLC method was performed using C18 and 0.05% phosphoric acid aqueous solution–acetonitrile with a gradient elution system. It was validated for linearity, precision, repeatability, stability and recovery. Similarity analysis, principal components analysis and antioxidant activity assays were used to compare sweated S. miltiorrhiza Bge. (SSM) and nonsweated S. miltiorrhiza Bge. (NSSM). SSM and NSSM showed good similarities in HPLC fingerprint (>0.9), but principal components analysis could classify the HPLC fingerprint and 10‐component quantitation analysis. Meanwhile, the antioxidant activity of SSM was significantly higher than that of NSSM (p < 0.01). The results of this study indicated that sweating could alter the content of chemical constituents in S. miltiorrhiza Bge., and could also improve its antioxidant activity. In addition, the method not only affords a viable strategy for comparing SSM and NSSM and assessing the quality of S. miltiorrhiza Bge., but also provides a reference for other herbal medicine that suffers from sweating.
Reduced vascular risk factors in Parkinson's disease dementia and dementia with Lewy bodies compared to Alzheimer's disease
Authors: Chan Po‐Chi , Wei Cheng‐Yu , Hung Guang‐Uei , Chiu Pai‐Yi
Published: February 2018

Objectives

The association of vascular risk factors (VRFs) with incidence of Alzheimer's disease (AD) and vascular dementia (VaD) has been well studied. However, the association between VRFs and non‐AD dementia is seldom investigated. In this study, we aim to compare the concurrence of VRFs of Lewy body dementia (LBD) to AD.

Materials & Methods

We consecutively enrolled patients with dementia with Lewy bodies (DLB), Parkinson's disease dementia (PDD), and AD, and the prevalence of arterial hypertension, diabetes mellitus, hypercholesterolemia, hyperlipidemia, smoking, and obesity was assessed and compared.

Results

A total of 167 consecutive patients were studied. Among them, 55 had DLB, 34 had PDD, and 78 had AD. History of any VRF among three groups was not significantly different. In addition, the patients with AD had significantly higher systolic pressure (SBP), diastolic pressure (DBP), waist, body mass index (BMI), ac glucose, and HbA1c (all p‐value < .005). After a stepwise procedure that considered age, sex, disease severity, antiparkinson drugs, systolic and diastolic blood pressures, glycated hemoglobin, body mass index, triglyceride, total cholesterol, and low‐density lipoprotein, SBP in the third tertile (144–198 mmHg), BMI in the second tertile (23.6–26.4), and TG in the third tertile (127–310) were significantly lower in LBD than in AD.

Conclusions

The VRFs are less associated with LBD than with AD. DLB and PDD showed a similar pattern of the association of VRFs. SBP, BMI, and TG were significantly lower in LBD compared with AD.
Proton‐Dependent Switching of a Novel Amino Chlorin Derivative as a Fluorescent Probe and Photosensitizer for Acidic Media
Authors: Heredia Daniel A. , Durantini Andrés M. , Sarotti Ariel M. , Gsponer Natalia S. , Ferreyra Darío D. , Bertolotti Sonia G. , Milanesio María E. , Durantini Edgardo N.
Published: February 2018

A novel chlorin derivative (TPCF20‐NMe2) has been synthesized as a syn adduct of a pyrrolidine‐fused chlorin bearing a C‐linked N,N‐dimethylaminophenyl residue. The absorption spectrum of TPCF20‐NMe2 is essentially identical to that of TPCF20 in N,N‐dimethylformamide, indicating a very weak interaction between the chlorin macrocycle and the amine group in the ground state. However, the fluorescence emission of the chlorin moiety in TPCF20‐NMe2 is effectively quenched by the attached amine unit. Moreover, TPCF20‐NMe2 is unable to attain a triplet excited state or to photosensitize singlet molecular oxygen. Spectroscopic and redox properties indicate that intramolecular photoinduced electron transfer can take place from the N,N‐dimethylaminophenyl group to the chlorin macrocycle. Thus, in an acid medium, protonation of the amino group leads to a considerable increase in the fluorescence emission, triplet excited‐state formation, and singlet molecular oxygen production. Photodynamic inactivation of Escherichia coli sensitized by TPCF20‐NMe2 is negligible at neutral pH. However, this chlorin becomes highly effective in inactivating E. coli cells under acidic conditions. Therefore, these results indicate that TPCF20‐NMe2 is an interesting molecular structure, in which protonation of the amino group can be used as an off/on molecular switch activating red fluorescence emission and photodynamic activity capable of eradicating bacteria.
Screening of a Novel Fragment Library with Functional Complexity against Mycobacterium tuberculosis InhA
Authors: Prati Federica , Zuccotto Fabio , Fletcher Daniel , Convery Maire A. , Fernandez‐Menendez Raquel , Bates Robert , Encinas Lourdes , Zeng Jingkun , Chung Chun‐wa , De Dios Anton Paco , Mendoza‐Losana Alfonso , Mackenzie Claire , Green Simon R. , Huggett Margaret , Barros David , Wyatt Paul G. , Ray Peter C.
Published: February 2018

Our findings reported herein provide support for the benefits of including functional group complexity (FGC) within fragments when screening against protein targets such as Mycobacterium tuberculosis InhA. We show that InhA fragment actives with FGC maintained their binding pose during elaboration. Furthermore, weak fragment hits with functional group handles also allowed for facile fragment elaboration to afford novel and potent InhA inhibitors with good ligand efficiency metrics for optimization.
Spin‐Noise‐Detected Two‐Dimensional Nuclear Magnetic Resonance at Triple Sensitivity
Authors: Ginthör Stephan J. , Chandra Kousik , Bechmann Matthias , Rodin Victor V. , Müller Norbert
Published: February 2018

A major breakthrough in speed and sensitivity of 2 D spin‐noise‐detected NMR is achieved owing to a new acquisition and processing scheme called “double block usage” (DBU) that utilizes each recorded noise block in two independent cross‐correlations. The mixing, evolution, and acquisition periods are repeated head‐to‐tail without any recovery delays and well‐known building blocks of multidimensional NMR (constant‐time evolution and quadrature detection in the indirect dimension as well as pulsed field gradients) provide further enhancement and artifact suppression. Modified timing of the receiver electronics eliminates spurious random excitation. We achieve a threefold sensitivity increase over the original snHMQC (spin‐noise‐detected heteronuclear multiple quantum correlation) experiment (K. Chandra et al., J. Phys. Chem. Lett. 2013, 4, 3853) and demonstrate the feasibility of spin‐noise‐detected long‐range correlation.
Mentalizing countertransference? A model for research on the elaboration of countertransference experience in psychotherapy
Authors: Barreto João F. , Matos Paula Mena
Published: February 2018

As a construct, the elaboration of countertransference experience (ECE) is intended to depict the implicit and explicit psychological work to which therapists submit their experiences with clients. Through ECE, defined as a mentalizing process of a particular kind, therapists' experiences are presumed to acquire and increase in mental quality and become available for meaning‐making and judicious clinical use. In this paper, we claim that such an ongoing process facilitates engagement with common therapeutic factors, such as the therapeutic alliance and countertransference management, enhancing therapist responsiveness in psychotherapy. We synthesize relevant literature on countertransference, mentalization, and, in particular, therapists' mentalization, informed by a systematic literature review. As a result, we propose a model for assessing ECE in psychotherapy, comprising 6 diversely mentalized countertransference positions (factual‐concrete, abstract‐rational, projective‐impulsive, argumentative, contemplative‐mindful, and mentalizing), 2 underlying primary dimensions (experiencing, reflective elaboration), and 5 complementary dimensions of elaboration. Strengths and limitations of the model are discussed.
Hydrogen Liberation from Formic Acid Mediated by Efficient Iridium(III) Catalysts Bearing Pyridine‐Carboxamide Ligands
Authors: Menendez Rodriguez Gabriel , Domestici Chiara , Bucci Alberto , Valentini Massimiliano , Zuccaccia Cristiano , Macchioni Alceo
Published: February 2018

Herein it is shown that complexes [Cp*Ir(R‐pica)Cl] {R‐pica = R‐picolinamidate = κ2‐R‐pyridine‐2‐carboxamide ion (–1), 1 R = H and 2 R = Me} catalyze the liberation of H2 from formic acid (FA) in water, at ambient temperature and pressure, in the absence of any addictive/promoter, with performances comparable with those of the best catalysts reported so far. TOF values approaching 30000 h–1 were observed for 1 and 2 (pH = 3.7, [HCOOH] + [HCOO–] = 1 m, [Cat] = 250 µm, T = 60 °C), whereas the TON was only limited by the amount of HCOOH used and by the increase of pH with the progress of reaction, which makes the protonation of Ir–H less probable.
Spin Coupling and Magnetic Anisotropy in 1D Complexes with Manganese(III) Units and Carboxylate Bridges – Synthesis, Analysis, Calculations, and Models
Authors: Cimpoesu Fanica , Spataru Tanta , Buta Cristina Maria , Borrmann Horst , Moga Olivia Georgeta , Ferbinteanu Marilena
Published: February 2018

We report the synthesis, structure and magnetic properties of a series of MnIII complexes with N,N′‐ethylenebis(5‐methoxysalicylideneiminate) (5MeO‐salen) and acetate ligands, namely, [Mn2(5MeO‐salen)2(CH3COO)]X [X = ClO4– (1), PF6– (2), CF3SO3– (3)]. The [Mn(5MeO‐salen)]+ cations form oxo‐bridged dimers, the further assembly of which by acetate groups leads to zigzag chains. There are two alternating types of dimeric {Mn2O2} units, each of which is intrinsically ferromagnetic or anisotropic but mutually coupled antiferromagnetically along the chain. Magnetostructural analyses were performed with the help of ab initio calculations to elucidate the subtle effects of local magnetic anisotropy combined with exchange effects. A qualitative mechanism for the exchange coupling is advanced on the basis of the ab initio calculations to explain the ferromagnetism inside the phenoxo‐bridged dimeric units and the antiferromagnetic behaviour of the acetate bridge.
Verdazyl Radical Building Blocks: Synthesis, Structure, and Sonogashira Cross‐Coupling Reactions
Authors: Petunin Pavel V. , Martynko Ekaterina A. , Trusova Marina E. , Kazantsev Maxim S. , Rybalova Tatyana V. , Valiev Rashid R. , Uvarov Mikhail N. , Mostovich Evgeny. A. , Postnikov Pavel S.
Published: February 2018

A general and effective method for the synthesis of 3‐phenylveradzyl radicals bearing a variety of iodophenyl substituents has been developed. The synthesized radicals have been characterized by ESR, UV/Vis spectroscopy, and cyclic voltammetry. Structures of biphenyl‐substituted radicals have been solved by X‐ray crystal structure analysis. The synthesized iodoverdazyls are applicable in the Sonogashira coupling reaction for the preparation of a wide range of ethynyl derivatives. Both N‐2 and C‐6 substituents were functionalized through Sonogashira coupling.
Heterocycle Syntheses with Anionic N‐Heterocyclic Carbenes: Ring Transformations of Sydnone Imine Anions
Authors: Freese Tyll , Lücke Ana‐Luiza , Namyslo Jan C. , Nieger Martin , Schmidt Andreas
Published: February 2018

Sydnone imines were deprotonated at the C4 position to give lithium‐stabilized anions, which proved to be stable for several months in solution. These anions are elements of the intersection of the substance classes of N‐heterocyclic carbenes and mesomeric betaines. They can be formulated as anionic N‐heterocyclic carbenes. The negative charge translates into high‐field shifts of the 13C NMR resonance frequencies of C4 in comparison to other NHCs. Similar to the chemistry of N‐heterocyclic carbenes, reactions with isocyanates and isothiocyanates gave 4‐(N‐carbamoyl)‐benzoylsydnone imines in trapping reactions. As a result of ring transformations involving the characteristic π‐architecture of the mesoionic framework, imidazolidine‐2,4‐dithiones, imidazolin‐2,4‐diones and 1,2,4‐triazol‐5‐ones were formed depending on the substitution pattern of the starting materials and the reaction conditions.
Frequency selection in paleoclimate time series: A model‐based approach incorporating possible time uncertainty
Authors: Franke Peter M. , Huntley Brian , Parnell Andrew C.
Published: February 2018

A key aspect of paleoclimate time series analysis is the identification of frequency behavior. Commonly, this is achieved by calculating a power spectrum and comparing this spectrum with that of a simplified model. Traditional hypothesis testing method can then be used to find statistically significant peaks that correspond to different frequencies. Complications occur when the data are multivariate or suffer from time uncertainty. In particular, the presence of joint uncertainties surrounding observations and their timing makes traditional hypothesis testing impractical.

In this paper, we reexpress the frequency identification problem in the time domain as a variable selection model where each variable corresponds to a different frequency. We place this problem in a Bayesian framework that allows us to place shrinkage prior distributions on the weighting of each frequency, as well as include informative prior information through which we can take account of time uncertainty.

We validate our approach with simulated data and illustrate it with analysis of mid‐ to late Holocene water table records from two sites in Northern Ireland—Dead Island and Slieveanorra. Both case studies also show the extent of the challenges that researchers may face. We therefore present one case that shows a good model fit with a clear frequency pattern and the other case where the identification of frequency behavior is impossible. We contrast our results with that of the extant methodology, known as REDFIT.
Sediment budget controls on foredune height: Comparing simulation model results with field data
Authors: Davidson‐Arnott Robin , Hesp Patrick , Ollerhead Jeff , Walker Ian , Bauer Bernard , Delgado‐Fernandez Irene , Smyth Thomas
Published: February 2018

The form, height and volume of coastal foredunes reflects the long‐term interaction of a suite of nearshore and aeolian processes that control the amount of sand delivered to the foredune from the beach versus the amount removed or carried inland. In this paper, the morphological evolution of more than six decades is used to inform the development of a simple computer model that simulates foredune growth. The suggestion by others that increased steepness of the seaward slope will retard sediment supply from the beach to the foredune due to development of a flow stagnation zone in front of the foredune, hence limiting foredune growth, was examined. Our long‐term data demonstrate that sediment can be transferred from the beach to the foredune, even with a steep foredune stoss slope, primarily because much of the sediment transfer takes place under oblique rather than onshore winds. During such conditions, the apparent aspect ratio of the dune to the oncoming flow is less steep and conditions are not as favourable for the formation of a stagnation zone. The model shows that the rate of growth in foredune height varies as a function of sediment input from the beach and erosion due to storm events, as expected, but it also demonstrates that the rate of growth in foredune height per unit volume increase will decrease over time, which gives the perception of an equilibrium height having been reached asymptotically. As the foredune grows in size, an increasing volume of sediment is needed to yield a unit increase in height, therefore the apparent growth rate appears to slow. Copyright © 2018 John Wiley & Sons, Ltd.
Evaluation of diffusive gradients in thin films for prediction of copper bioaccumulation by yellow lampmussel (Lampsilis cariosa) and fathead minnow (Pimephales promelas)
Authors: Philipps Rebecca R. , Xu Xiaoyu , Mills Gary L. , Bringolf Robert B.
Published: February 2018

Using a coupled method of diffusive gradients in thin films (DGT) exposure with aquatic organism bioassays, we assessed the use of DGT as a tool for estimating copper (Cu) bioavailability in contaminated waters. The DGT-accumulated Cu fraction could possibly be used as a surrogate for other assessments of metal bioavailability. The Cu concentrations in fathead minnow (Pimephales promelas) and yellow lampmussel (Lampsilis cariosa) soft tissue were compared with DGT-accumulated Cu after 2, 4, and 6 d of exposure to a Cu concentration series in static, water-only assays. The DGT-accumulated Cu was found to include free Cu ions, labile inorganic Cu complexes, and labile dissolved organic matter Cu complexes, compared with Cu speciation output from the biotic ligand model. Regressions of Cu concentrations between DGT and fathead minnow at 4 and 6 d of exposure demonstrated linear relationships. The Cu bioaccumulated in yellow lampmussel was overpredicted by DGT at Cu concentrations greater than 10 µg L−1, which may be caused by internal regulation of Cu. The speciation component of the biotic ligand model predicted relationships between inorganic Cu and animal-accumulated Cu that were similar to predicted relationships between DGT-indicated Cu and animal-accumulated Cu at all deployment durations. Environ Toxicol Chem 2018;37:1535–1544. © 2018 SETAC
A smart ACO‐inspired named data networking forwarding scheme with clustering analysis
Authors: Lv Jianhui , Wang Xingwei , Huang Min
Published: February 2018

Different from the traditional IP network, named data networking (NDN) performs the stateful and adaptive forwarding, which faces some severe challenges such as efficient and self‐organized content retrieval. The current proposals are very difficult to address such challenges; therefore, this paper proposes a novel and smart NDN forwarding scheme by introducing both ant colony optimization and clustering analysis. At first, the discrete content concentration model is established with network load to address interest forwarding; in particular, we investigate the situation where the content retrieval is failed. Then, dot product method is used to compute similarity relation between 2 routers, which is considered as the clustering reference attribute. In addition, density‐based spatial clustering, ie, a clustering method, is exploited to detect core nodes that are used to cache the contents during the process of data forwarding. Finally, the proposed smart forwarding scheme is simulated over Mini‐NDN, and the simulation results show that it has better performance than the existent 3 schemes in terms of content retrieval rate, hop count, load balance degree, execution time, and throughput.
Nonuniform bandwidth reservation for tunnels in MPLS network using meter tables of OpenFlow
Authors: Huang Liaoruo , Shen Qingguo , Zhou Feng , Shao Wenjuan , Cui Xiaoyu
Published: February 2018

Resource reservation protocol‐traffic engineering (RSVP‐TE) is one of the most widely used technologies to construct multiprotocol label switching tunnels across wide area network. In RSVP‐TE, along the path selected by the constrained shortest path first algorithm, resource is allocated using RSVP at each hop to provide deterministic end‐to‐end service quality, such as rate, delay, packet loss, and jitter. However, we argue that the flat and uniform bandwidth reservation mechanism of RSVP, which reserves the same bandwidth at each hop along the tunnel, ignore the difference of available bandwidth of these links, resulting in that the bandwidth of some congested links are quickly exhausted, whereas other links are not fully utilized. To further improve the load balancing and resource utilization of the network, a nonuniform bandwidth reservation (NUBR) method is proposed in this paper. With the proposed method, each node along the tunnel can flexibly reserve different bandwidth according to its own available resources. Thus, the reserved bandwidth at the congested links can be decreased by aggressively overreserving at idle links. In this paper, we introduce the concept of NUBR and explore the implementation based on the meter table of OpenFlow. The mathematical models and algorithms of NUBR have been studied under 2 application scenarios. At last, the simulation results show that the proposed method can allow more multiprotocol label switching tunnels than the traditional uniform bandwidth reservation method.
Musical training induces functional and structural auditory‐motor network plasticity in young adults
Authors: Li Qiongling , Wang Xuetong , Wang Shaoyi , Xie Yongqi , Li Xinwei , Xie Yachao , Li Shuyu
Published: February 2018

Playing music requires a strong coupling of perception and action mediated by multimodal integration of brain regions, which can be described as network connections measured by anatomical and functional correlations between regions. However, the structural and functional connectivities within and between the auditory and sensorimotor networks after long‐term musical training remain largely uninvestigated. Here, we compared the structural connectivity (SC) and resting‐state functional connectivity (rs‐FC) within and between the two networks in 29 novice healthy young adults before and after musical training (piano) with those of another 27 novice participants who were evaluated longitudinally but with no intervention. In addition, a correlation analysis was performed between the changes in FC or SC with practice time in the training group. As expected, participants in the training group showed increased FC within the sensorimotor network and increased FC and SC of the auditory‐motor network after musical training. Interestingly, we further found that the changes in FC within the sensorimotor network and SC of the auditory‐motor network were positively correlated with practice time. Our results indicate that musical training could induce enhanced local interaction and global integration between musical performance‐related regions, which provides insights into the mechanism of brain plasticity in young adults.
Brain structure differences between Chinese and Caucasian cohorts: A comprehensive morphometry study
Authors: Tang Yuchun , Zhao Lu , Lou Yunxia , Shi Yonggang , Fang Rui , Lin Xiangtao , Liu Shuwei , Toga Arthur
Published: February 2018

Numerous behavioral observations and brain function studies have demonstrated that neurological differences exist between East Asians and Westerners. However, the extent to which these factors relate to differences in brain structure is still not clear. As the basis of brain functions, the anatomical differences in brain structure play a primary and critical role in the origination of functional and behavior differences. To investigate the underlying differences in brain structure between the two cultural/ethnic groups, we conducted a comparative study on education‐matched right‐handed young male adults (age = 22–29 years) from two cohorts, Han Chinese (n = 45) and Caucasians (n = 45), using high‐dimensional structural magnetic resonance imaging (MRI) data. Using two well‐validated imaging analysis techniques, surface‐based morphometry (SBM) and voxel‐based morphometry (VBM), we performed a comprehensive vertex‐wise morphometric analysis of the brain structures between Chinese and Caucasian cohorts. We identified consistent significant between‐group differences in cortical thickness, volume, and surface area in the frontal, temporal, parietal, occipital, and insular lobes as well as the cingulate cortices. The SBM analyses revealed that compared with Caucasians, the Chinese population showed larger cortical structures in the temporal and cingulate regions, and smaller structural measures in the frontal and parietal cortices. The VBM data of the same sample was well‐aligned with the SBM findings. Our findings systematically revealed comprehensive brain structural differences between young male Chinese and Caucasians, and provided new neuroanatomical insights to the behavioral and functional distinctions in the two cultural/ethnic populations.
Systemic banks, capital composition, and CoCo bonds issuance: The effects on bank risk
Authors: Echevarria‐Icaza Victor , Sosvilla‐Rivero Simón
Published: February 2018

This paper shows that systemic banks are prone to increase their regulatory capital ratio through a decline in risk‐weighted assets density and an intense use of lower level capital. The market access of systemic banks and the fact that they were singled out for higher capital requirements seem to have biased them towards lower level capital, consistent with the theory that asymmetric information drives capital decisions. These effects are particularly strong for institutions that had a rather low level of capitalization at the start of the period and for those that exhibited a strong use of additional Tier I capital before the regulatory changes. Strict capital composition requirements for firms with lower buffers would be an improvement.
Low BMI is correlated with increased TGF‐β and IL‐10 mRNA levels in the peripheral blood of breast cancer patients
Authors: Liu Chao , Wang Qian , Sun Bing , Meng Xiangying , Li Lan , Yang Liuchun , Cong Yang , Liu Jiannan , Xuan Liang , Huang Yan , Wu Shikai
Published: February 2018

Transforming growth factor‐β (TGF‐β), interleukin‐10 (IL‐10), and forkhead box P3 (Foxp3) have important roles in breast cancer development. Previous studies confirmed a correlation between these immune molecules and tumor characteristics, but their association with nutritional status in breast cancer is largely unknown. We aimed to investigate the association between body mass index (BMI), hemoglobin, total protein, albumin, globulin (GLB), albumin/GLB ratio (AGR), pre‐albumin, prognostic nutritional index, and TGF‐β, IL‐10, and Foxp3 mRNA expression in patients with breast cancer. Quantitative real‐time PCR was used to detect the mRNA expression of TGF‐β, IL‐10, and Foxp3 in the peripheral blood of 107 patients with breast cancer and 21 healthy controls. We found that TGF‐β mRNA levels were 2.6‐fold, 3.2‐fold, and 2.3‐fold higher in patients with low BMI (<23), low AGR, and high GLB, respectively, than in their counterparts (P < 0.05). In addition, IL‐10 mRNA expression levels in patients with normal BMI (<23) were 2.8‐fold and 3.5‐fold higher than in those who were overweight (23≤ BMI <25) and obese (BMI ≥ 25), respectively (P < 0.05). In addition, TGF‐β, IL‐10, and Foxp3 mRNA levels were significantly higher in patients with breast cancer than in healthy controls (P < 0.05). In summary, our results suggest that nutritional status, especially BMI, may strongly affect systematic immune function in patients with breast cancer. © 2018 IUBMB Life, 70(3):237–245, 2018
Specificity Protein 7 Is Required for Proliferation and Differentiation of Ameloblasts and Odontoblasts
Authors: Bae Ji-Myung , Clarke John C , Rashid Harunur , Adhami Mitra D , McCullough Kayla , Scott Jordan S , Chen Haiyan , Sinha Krishna M , de Crombrugghe Benoit , Javed Amjad
Published: February 2018

The Sp7/Osterix transcription factor is essential for bone development. Mutations of the Sp7 gene in humans are associated with craniofacial anomalies and osteogenesis imperfecta. However, the role of Sp7 in embryonic tooth development remains unknown. Here we identified the functional requirement of Sp7 for dentin synthesis and tooth development. Sp7-null mice exhibit craniofacial dysmorphogenesis and are completely void of alveolar bone. Surprisingly, initial tooth morphogenesis progressed normally in Sp7-null mice. Thus the formation of alveolar bone is not a prerequisite for tooth morphogenesis. Sp7 is required for mineralization of palatal tissue but is not essential for palatal fusion. The reduced proliferative capacity of Sp7-deficient ectomesenchyme results in small and misshapen teeth with randomly arranged cuboidal preodontoblasts and preameloblasts. Sp7 promotes functional maturation and polarization of odontoblasts. Markers of mature odontoblast (Col1a, Oc, Dspp, Dmp1) and ameloblast (Enam, Amelx, Mmp20, Amtn, Klk4) are barely expressed in incisors and molar tissues of Sp7-null mice. Consequently, dentin and enamel matrix are absent in the Sp7-null littermates. Interestingly, the Sp7 expression is restricted to cells of the dental mesenchyme indicating the effect on oral epithelium–derived ameloblasts is cell-nonautonomous. Abundant expression of Fgf3 and Fgf8 ligand was noted in the developing tooth of wild-type mice. Both ligands were remarkably absent in the Sp7-null incisor and molar, suggesting cross-signaling between mesenchyme and epithelium is disrupted. Finally, promoter-reporter assays revealed that Sp7 directly controls the expression of Fgf-ligands. Together, our data demonstrate that Sp7 is obligatory for the differentiation of both ameloblasts and odontoblasts but not for the initial tooth morphogenesis. © 2018 American Society for Bone and Mineral Research.
Comparison of the periodic slab approach with the finite cluster description of metal–organic interfaces at the example of PTCDA on Ag(110)
Authors: Banerjee Jaita , Behnle Stefan , Galbraith Martin C. E. , Settels Volker , Engels Bernd , Tonner Ralf , Fink Reinhold F.
Published: February 2018

We present a comparative study of metal–organic interface properties obtained from dispersion corrected density functional theory calculations based on two different approaches: the periodic slab‐supercell technique and cluster models with 32–290 Ag atoms. Fermi smearing and fixing of cluster borders are required to make the cluster calculation feasible and realistic. The considered adsorption structure and energy of a PTCDA molecule on the Ag(110) surface is not well reproduced with clusters containing only two metallic layers. However, all clusters with four layers of silver atoms and sufficient lateral extension reproduce the adsorbate structure within 0.04 Å with respect to the slab‐supercell structure and provide adsorption energies of (
0.08 eV) consistent with the slab result of −4.47 eV. Thus, metal–organic adsorbate systems can be realistically represented by properly defined cluster models. © 2018 Wiley Periodicals, Inc.
FALDI‐based decomposition of an atomic interaction line leads to 3D representation of the multicenter nature of interactions
Authors: de Lange Jurgens H. , van Niekerk Daniel M. E. , Cukrowski Ignacy
Published: February 2018

Atomic interaction lines (AILs) and the QTAIM's molecular graphs provide a predominantly two‐center viewpoint of interatomic interactions. While such a bicentric interpretation is sufficient for most covalent bonds, it fails to adequately describe both formal multicenter bonds as well as many non‐covalent interactions with some multicenter character. We present an extension to our Fragment, Atomic, Localized, Delocalized and Interatomic (FALDI) electron density (ED) decomposition scheme, with which we can measure how any atom‐pair's delocalized density concentrates, depletes or reduces the electron density in the vicinity of a bond critical point. We apply our method on five classical bonds/interactions, ranging from formal either two‐ or three‐center bonds, a non‐covalent interaction (an intramolecular hydrogen bond) to organometallic bonds with partial multicenter character. By use of 3D representation of specific atom‐pairs contributions to the delocalized density we (i) fully recover previous notion of multicenter bonding in diborane and predominant bicentric character of a single covalent CC bond, (ii) reveal a multicenter character of an intramolecular H‐bond and (iii) illustrate, relative to a Schrock carbene, a larger degree of multicenter MC interaction in a Fischer carbene (due to a presence of a heteroatom), whilst revealing the holistic nature of AILs from multicenter ED decomposition. © 2018 Wiley Periodicals, Inc.
Uncoupling protein 1 expression in adipocytes derived from skeletal muscle fibro/adipogenic progenitors is under genetic and hormonal control
Authors: Gorski Tatiane , Mathes Sebastian , Krützfeldt Jan
Published: February 2018

Background

Intramuscular fatty infiltration is generally associated with the accumulation of white adipocytes in skeletal muscle and unfavourable metabolic outcomes. It is, however, still unclear whether intramuscular adipocytes could also acquire a brown‐like phenotype. Here, we detected intramuscular expression of brown adipocyte markers during fatty infiltration in an obesity‐resistant mouse strain and extensively compared the potential of two different stem cell populations residing in skeletal muscle to differentiate into brown‐like adipocytes.

Methods

Fatty infiltration was induced using intramuscular glycerol or cardiotoxin injection in the tibialis anterior muscles of young or aged 129S6/SvEvTac (Sv/129) mice or interleukin‐6 (IL‐6) knockout mice, and the expression of general and brown adipocyte markers was assessed after 4 weeks. Fibro/adipogenic progenitors (FAPs) and myogenic progenitors were prospectively isolated using fluorescence‐activated cell sorting from skeletal muscle of male and female C57Bl6/6J and Sv/129 mice, and monoclonal and polyclonal cultures were treated with brown adipogenic medium. Additionally, FAPs were differentiated with medium supplemented or not with triiodothyronine.

Results

Although skeletal muscle expression of uncoupling protein 1 (Ucp1) was barely detectable in uninjected tibialis anterior muscle, it was drastically induced following intramuscular adipogenesis in Sv/129 mice and further increased in response to beta 3‐adrenergic stimulation. Intramuscular Ucp1 expression did not depend on IL‐6 and was preserved in aged skeletal muscle. Myogenic progenitors did not form adipocytes neither in polyclonal nor monoclonal cultures. Fibro/adipogenic progenitors, on the other hand, readily differentiated into brown‐like, UCP1+ adipocytes. Uncoupling protein 1 expression in differentiated FAPs was regulated by genetic background, sex, and triiodothyronine treatment independently of adipogenic differentiation levels.

Conclusions

Intramuscular adipogenesis is associated with increased Ucp1 expression in skeletal muscle from obesity‐resistant mice. Fibro/adipogenic progenitors provide a likely source for intramuscular adipocytes expressing UCP1 under control of both genetic and hormonal factors. Therefore, FAPs constitute a possible target for therapies aiming at the browning of intramuscular adipose tissue and the metabolic improvement of skeletal muscle affected by fatty infiltration.
Pursuing Graduate Study: Factors Underlying Undergraduate Engineering Students' Decisions
Authors: Borrego Maura , Knight David B. , Gibbs Kenneth , Crede Erin
Published: February 2018

Background

Enrollment of US students in engineering graduate programs is declining, the proportion of underrepresented groups being even lower at the graduate level than it is at undergraduate levels.

Purpose

The purpose of this study is to explore engineering undergraduate student perceptions about graduate study, how these perceptions impact their decisions to pursue graduate study, and whether or how these differ by sex and race/ethnicity.

Design/Method

We administered a survey about graduate study to 1082 undergraduate engineering students from four US institutions. Student characteristics included sex, race/ethnicity, and year in college. Exploratory Factor Analysis identified factors related to Social Cognitive Career Theory (SCCT). We created multinomial logistic regression models to predict intention to pursue a master's or PhD degree.

Results

Identified factors were Self‐efficacy, Outcome expectations, Supports, Barriers, and Choice actions. Model fit statistics indicate a strong model. Only Choice actions was not significant. Few sex and race/ethnicity differences held once factors were added to the models. Hispanic students were more than twice as likely to indicate they were planning on enrolling in a master's program relative to no graduate school.

Conclusions

Self‐efficacy most strongly influenced graduate school intention. For every one‐unit increase in students' self‐efficacy, they were over 8 times more likely to plan to enroll in a master's program and 13 times more likely to enroll in a PhD program, relative to not attending graduate school. Implications for research and practice are discussed.
Tooth germ initiation patterns in a developing dentition: An in vivo study of Xenopus laevis tadpoles
Authors: Lamoureux Denis O. , LeBlanc Aaron R. H. , Caldwell Michael W.
Published: February 2018

The transparency of soft tissue in Xenopus laevis tadpoles and the anterior‐posterior orientation of their developing tooth germs in the upper jaw offer a unique opportunity for the in vivo charting of the first 15–20 days of the developing dentition. Twenty‐two X. laevis tadpoles were anesthetized daily and their mouths opened to record the first appearance, position, and development of tooth germs in the upper jaw. The initiation patterns revealed considerable variability between animals, and even between the jaw quadrants in the same animal. This variability appears within a structural boundary and the results are consistent with the presence of an odontogenic band. The final length of dental rows far exceeded the jaw growth for each quadrant during the recording period. This in vivo investigation underlines the limits of cross‐sectional studies, and in particular the assumption that tooth germs initiate at the same position in the dental row. The tooth germ initiation patterns in this study did not align with the predictions of standard models for the development of the dentition—Zahnreihen, Clone, and New Progress Zone theories.
Antenatal Prediction of Neonatal Survival in Sacrococcygeal Teratoma
Authors: Lee Seung Mi , Suh Dong Hoon , Kim So Yeon , Kim Min Kyoung , Oh Sohee , Song Sang Hoon , Kim Hyun‐Young , Park Chan‐Wook , Park Joong Shin , Jun Jong Kwan
Published: February 2018

Objectives

In sacrococcygeal teratoma, the presence of high‐output cardiac failure resulting from arteriovenous shunting through the large tumor has been associated with an adverse outcome. The objective of this study was to determine whether the tumor size and cardiac biomarkers in cord blood can predict neonatal survival in sacrococcygeal teratoma.

Methods

The study population consisted of 25 neonates with sacrococcygeal teratoma. Tumor size was calculated by the ellipsoid formula using dimensions measured by antenatal ultrasound ([length × width × depth in cm] × 0.52= volume in cm3). To adjust the gestational age, the tumor volume index (tumor volume/biparietal diameter) was adopted in the analysis. Cardiac biomarkers for heart failure (N‐terminal pro‐B‐type natriuretic peptide [NT‐pro‐BNP] and cardiac troponin T [cTnT]) were measured in cord blood taken at the time of delivery.

Results

The rate of neonatal death was 24% (6 of 25). The cases that resulted in neonatal death had a higher tumor volume index and higher concentrations of NT‐pro‐BNP and cTnT than those with survival. A tumor volume index of greater than 60 cm3/cm, elevated NT‐pro‐BNP (>2000 pg/mL), and elevated cTnT (>0.08 ng/mL) had sensitivity of 100% for prediction of neonatal death.

Conclusions

The tumor volume index and cord blood biomarkers for heart failure can be promising prognostic markers for neonatal survival in sacrococcygeal teratoma.