bluuebunny/crossref_metadata_2025_split huggingface dataset:
Bonding in Heavier Group 14 Zero‐Valent Complexes—A Combined Maximum Probability Domain and Valence Bond Theory Approach
Authors: Turek Jan , Braïda Benoît , De Proft Frank 
Published: August 2017

AbstractThe bonding in heavier Group 14 zero‐valent complexes of a general formula L2E (E=Si–Pb; L=phosphine,N‐heterocyclic and acyclic carbene, cyclic tetrylene and carbon monoxide) is probed by combining valence bond (VB) theory and maximum probability domain (MPD) approaches. All studied complexes are initially evaluated on the basis of the structural parameters and the shape of frontier orbitals revealing a bent structural motif and the presence of two lone pairs at the central E atom. For the VB calculations three resonance structures are suggested, representing the “ylidone”, “ylidene” and “bent allene” structures, respectively. The influence of both ligands and central atoms on the bonding situation is clearly expressed in different weights of the resonance structures for the particular complexes. In general, the bonding in the studied E0compounds, the tetrylones, is best described as a resonating combination of “ylidone” and “ylidene” structures with a minor contribution of the “bent allene” structure. Moreover, the VB calculations allow for a straightforward assessment of the π‐backbonding (E→L) stabilization energy. The validity of the suggested resonance model is further confirmed by the complementary MPD calculations focusing on the E lone pair region as well as the E–L bonding region. Likewise, the MPD method reveals a strong influence of the σ‐donating and π‐accepting properties of the ligand. In particular, either one single domain or two symmetrical domains are found in the lone pair region of the central atom, supporting the predominance of either the “ylidene” or “ylidone” structures having one or two lone pairs at the central atom, respectively. Furthermore, the calculated average populations in the lone pair MPDs correlate very well with the natural bond orbital (NBO) populations, and can be related to the average number of electrons that is backdonated to the ligands.
Prussian Blue‐Derived Synthesis of Hollow Porous Iron Pyrite Nanoparticles as Platinum‐Free Counter Electrodes for Highly Efficient Dye‐Sensitized Solar Cells
Authors: Chen Jeffrey E. , Fan Miao‐Syuan , Chen Yen‐Lin , Deng Yu‐Heng , Kim Jung Ho , Alamri Hatem R. , Alothman Zeid A. , Yamauchi Yusuke , Ho Kuo‐Chuan , Wu Kevin C.‐W. 
Published: August 2017

AbstractInvited for the cover of this issue is the group of Kuo‐Chuan Ho and Kevin C.‐W. Wu at the National Taiwan University. The image depicts the hollow porous iron pyrite nanoparticles which are deposited on the conducting substrate as the counter electrode (CE) in a dye‐sensitized solar cell (DSSC). Iron pyrite, with a hollow porous structure, offers a high surface area for the reduction of the triiodide ions. The DSSC directly converts the sunlight into electric power, which could power the flashlight without pollution. It is expected that the DSSC will emerge as a new class of low cost energy conversion device. Read the full text of the article at 10.1002/chem.201702687.
Functionalized Base‐Stable Metal–Organic Frameworks for Selective CO2 Adsorption and Proton Conduction
Authors: He Tao , Zhang Yong‐Zheng , Wu Hao , Kong Xiang‐Jing , Liu Xiao‐Min , Xie Lin‐Hua , Dou Yibo , Li Jian‐Rong 
Published: August 2017

AbstractMetal–organic frameworks (MOFs) have shown great potential for application in various fields, including CO2 capture and proton conduction. For promoting their practical applications, both optimization of a given property and enhancement of chemical stability are crucial. In this work, three base‐stable isostructural MOFs, [Ni8(OH)4(H2O)2(BDP‐X)6] (Ni–BDP‐X; H2BDP=1,4‐bis(4‐pyrazolyl)benzene, X=CHO, CN, COOH) with different functional groups, are designed, synthesized, and used in CO2 capture and proton conduction experiments. They possess face‐centered cubic topological structures with functional nanoscale cavities. Importantly, these MOFs are fairly stable to maintain their structures in boiling water and 4 M sodium hydroxide solution at room temperature. Functionalization endows them with tunable properties. In gas adsorption studies, these MOFs exhibit selective adsorption of CO2 over CH4 and N2, and in particular the introduction of COOH groups provides the highest selectivity. In addition, the COOH‐functionalized Ni–BDP exhibits a high proton conductivity of 2.22×10−3 S cm−1 at 80 °C and approximately 97 % relative humidity.
Recent trends in capillary electrophoresis for complex samples analysis: A review
Authors: Ramos‐Payán María , Ocaña‐Gonzalez Juan A. , Fernández‐Torres Rut M. , Llobera Andreu , Bello‐López Miguel Ángel 
Published: August 2017

AbstractCE has been a continuously evolving analytical methodology since its first introduction in the 1980s of the last century. The development of new CE separation procedures, the coupling of these systems to more sensitive and versatile detection systems, and the advances in miniaturization technology have allowed the application of CE to the resolution of new and complex analytical problems, overcoming the traditional disadvantages associated with this method. In the present work, different recent trends in CE and their application to the determination of high complexity samples (as biological fluids, individual cells, etc.) will be reviewed: capillary modification by different types of coatings, microfluidic CE, and online microextraction CE. The main advantages and disadvantages of the different proposed approaches will be discussed with examples of most recent applications.
Quantifying weathering on variable rocks, an extension of geochemical mass balance: Critical zone and landscape evolution
Authors: Fisher Beth A. , Rendahl Aaron K. , Aufdenkampe Anthony K. , Yoo Kyungsoo 
Published: August 2017

AbstractWe present a statistical model of soil and rock weathering in deep profiles to expand the capacity to assess weathering to heterogeneous bedrock types, which are common at the Earth's surface. We developed the Weathering Trends (WT) model by extending the fractional mass change calculation (tau) of the geochemical mass balance model in two important ways. First, WT log transforms the elemental ratio data, to discern the log‐linear patterns that naturally develop from thermodynamic and kinetic laws of chemistry. Second, WT statistically fits log‐transformed element concentration ratio data – log(cj/ci), the only depth‐varying term in tau – as a function of depth to determine characteristic depths of transitions in weathering processes, along with confidence intervals. With no prior assumptions, WT estimates average parent material composition, average composition of the upper weathered zone and mean fractional mass change of each element over the entire weathering profile. WT displays the mean shape of weathering profiles of log‐transformed geochemical data bounded by calculated confidence intervals. We share the WT model code as an open‐source R package (https://github.com/fisherba/WeatheringTrends). The WT model was designed to interpret two 21 m cores from the Laurels Schist bedrock in the Christina River Basin Critical Zone Observatory in the Pennsylvania Piedmont, where our morphological and elemental data provided inconclusive estimates of bedrock depth. The WT model differentiated between rock variability and weathering to delineate the maximum extent of weathering at 12.3 m (CI 95% [9.2, 21.3]) in Ridge Well 1 and 7.2 m (CI 95% [4.3, 13.0]) in Interfluve Well 2. The water table was 5–8 m below fresh rock at Ridge Well 1, but at the same depth as fresh rock at the lower elevation interfluve. We assess statistical approaches to identify the best immobile element for use in WT and tau calculations. Copyright © 2017 John Wiley & Sons, Ltd.
Enhanced estimations of post‐stroke aphasia severity using stacked multimodal predictions
Authors: Pustina Dorian , Coslett Harry Branch , Ungar Lyle , Faseyitan Olufunsho K. , Medaglia John D. , Avants Brian , Schwartz Myrna F. 
Published: August 2017

AbstractThe severity of post‐stroke aphasia and the potential for recovery are highly variable and difficult to predict. Evidence suggests that optimal estimation of aphasia severity requires the integration of multiple neuroimaging modalities and the adoption of new methods that can detect multivariate brain‐behavior relationships. We created and tested a multimodal framework that relies on three information sources (lesion maps, structural connectivity, and functional connectivity) to create an array of unimodal predictions which are then fed into a final model that creates “stacked multimodal predictions” (STAMP). Crossvalidated predictions of four aphasia scores (picture naming, sentence repetition, sentence comprehension, and overall aphasia severity) were obtained from 53 left hemispheric chronic stroke patients (age: 57.1 ± 12.3 yrs, post‐stroke interval: 20 months, 25 female). Results showed accurate predictions for all four aphasia scores (correlation true vs. predicted: r = 0.79–0.88). The accuracy was slightly smaller but yet significant (r = 0.66) in a full split crossvalidation with each patient considered as new. Critically, multimodal predictions produced more accurate results that any single modality alone. Topological maps of the brain regions involved in the prediction were recovered and compared with traditional voxel‐based lesion‐to‐symptom maps, revealing high spatial congruency. These results suggest that neuroimaging modalities carry complementary information potentially useful for the prediction of aphasia scores. More broadly, this study shows that the translation of neuroimaging findings into clinically useful tools calls for a shift in perspective from unimodal to multimodal neuroimaging, from univariate to multivariate methods, from linear to nonlinear models, and, conceptually, from inferential to predictive brain mapping. Hum Brain Mapp 38:5603–5615, 2017. © 2017 Wiley Periodicals, Inc.
Distinguishing stimulus and response codes in theta oscillations in prefrontal areas during inhibitory control of automated responses
Authors: Mückschel Moritz , Dippel Gabriel , Beste Christian 
Published: August 2017

AbstractResponse inhibition mechanisms are mediated via cortical and subcortical networks. At the cortical level, the superior frontal gyrus, including the supplementary motor area (SMA) and inferior frontal areas, is important. There is an ongoing debate about the functional roles of these structures during response inhibition as it is unclear whether these structures process different codes or contents of information during response inhibition. In the current study, we examined this question with a focus on theta frequency oscillations during response inhibition processes. We used a standard Go/Nogo task in a sample of human participants and combined different EEG signal decomposition methods with EEG beamforming approaches. The results suggest that stimulus coding during inhibitory control is attained by oscillations in the upper theta frequency band (∼7 Hz). In contrast, response selection codes during inhibitory control appear to be attained by the lower theta frequency band (∼4 Hz). Importantly, these different codes seem to be processed in distinct functional neuroanatomical structures. Although the SMA may process stimulus codes and response selection codes, the inferior frontal cortex may selectively process response selection codes during inhibitory control. Taken together, the results suggest that different entities within the functional neuroanatomical network associated with response inhibition mechanisms process different kinds of codes during inhibitory control. These codes seem to be reflected by different oscillations within the theta frequency band. Hum Brain Mapp 38:5681–5690, 2017. © 2017 Wiley‐Liss, Inc.
Audiovisual integration as conflict resolution: The conflict of the McGurk illusion
Authors: Morís Fernández Luis , Macaluso Emiliano , Soto‐Faraco Salvador 
Published: August 2017

AbstractThere are two main behavioral expressions of multisensory integration (MSI) in speech; the perceptual enhancement produced by the sight of the congruent lip movements of the speaker, and the illusory sound perceived when a speech syllable is dubbed with incongruent lip movements, in the McGurk effect. These two models have been used very often to study MSI. Here, we contend that, unlike congruent audiovisually (AV) speech, the McGurk effect involves brain areas related to conflict detection and resolution. To test this hypothesis, we used fMRI to measure blood oxygen level dependent responses to AV speech syllables. We analyzed brain activity as a function of the nature of the stimuli—McGurk or non‐McGurk—and the perceptual outcome regarding MSI—integrated or not integrated response—in a 2 × 2 factorial design. The results showed that, regardless of perceptual outcome, AV mismatch activated general‐purpose conflict areas (e.g., anterior cingulate cortex) as well as specific AV speech conflict areas (e.g., inferior frontal gyrus), compared with AV matching stimuli. Moreover, these conflict areas showed stronger activation on trials where the McGurk illusion was perceived compared with non‐illusory trials, despite the stimuli where physically identical. We conclude that the AV incongruence in McGurk stimuli triggers the activation of conflict processing areas and that the process of resolving the cross‐modal conflict is critical for the McGurk illusion to arise. Hum Brain Mapp 38:5691–5705, 2017. © 2017 Wiley Periodicals, Inc.
Primary treatment for oropharyngeal squamous cell carcinoma in Alberta, Canada: A population‐based study
Authors: Hobbs Amy J. , Brockton Nigel T. , Matthews T. Wayne , Chandarana Shamir P. , Bose Pinaki , Guggisberg Kelly , Fick Gordon H. , Dort Joseph C. 
Published: August 2017

AbstractBackgroundThe incidence of human papillomavirus (HPV)‐related oropharyngeal squamous cell carcinoma (SCC) is increasing and has better survival than non‐HPV related oropharyngeal SCC. This study compared surgical to nonsurgical treatments and demographic, clinical, and survival differences in patients with oropharyngeal SCC, stratified by p16 status.MethodsWe assembled a cohort of adult patients with oropharyngeal SCC diagnosed between 2000 and 2008 in Alberta. The tumor p16 biomarker was measured using fluorescent immunohistochemistry.ResultsIn this cohort, p16 data were available for 115 of 357 patients; and 66% (n = 76) were p16‐positive. Patients with p16 data had comparable outcomes to those without. Surgically treated p16‐negative patients had improved 5‐year disease‐specific survival (DSS) and overall survival (OS) compared with nonsurgical patients. There were no differences in survival outcomes between surgical and nonsurgical treatment for patients with p16‐positive disease.ConclusionPatients with p16‐positive oropharyngeal SCC had similar outcomes regardless of treatment. Patients with p16‐negative tumors may benefit from primary surgery with postoperative adjuvant therapy.
The effect of amino plasma‐enhanced chemical vapor deposition‐treated titanium surface on Schwann cells
Authors: Zhao Jinghui , Guo Yu , Lan A , Luo Wenjing , Wang Xiaona , Fu Li , Cai Qing , Zhou Yanmin 
Published: August 2017

AbstractThe surface modification of titanium and its alloys with amino group plasma‐enhanced chemical vapor deposition has been proven to enhance the performance of implants on initial osteoblast bioactivity in vitro. However, scarce information on the effect of this kind of surface modification on nerve regeneration exists. In this study, the surface chemistry of pure Ti disks and surface‐modified disks was examined using X‐ray photoelectron spectroscopy. Cell counting kit 8 assay, 4,6‐diamidino‐2‐phenylindole staining, flow cytometry, and scanning electron microscopy showed that either the p30% or cw + p30% mode‐mediated surface significantly promote Schwann cell adhesion without any cytotoxicity compared with the pure Ti surface, and the cw + p30% group showed the best performance on cell adhesion. However, results of polymerase chain reaction and Western blot analyses showed that the mRNA and protein levels of glial cell‐derived neurotrophic factor and nerve growth factor of the p30% and cw + p30% groups were lower than those of the Ti group at some time points. Generally, the results indicate that amino‐functionalized Ti surfaces can promote Schwann cell adhesion without cytotoxicity, but this modification, in fact, inhibited the expression of the key growth factors GDNF and NGF of Schwann cells. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 106A: 265–271, 2018.
Cytocompatibility testing of hydrogels toward bioprinting of mesenchymal stem cells
Authors: Benning Leo , Gutzweiler Ludwig , Tröndle Kevin , Riba Julian , Zengerle Roland , Koltay Peter , Zimmermann Stefan , Stark G. Björn , Finkenzeller Günter 
Published: August 2017

AbstractMesenchymal stem cells (MSCs) represent a very attractive cell source for tissue engineering applications aiming at the generation of artificial bone substitutes. The use of three‐dimensional bioprinting technologies has the potential to improve the classical tissue engineering approach because bioprinting will allow the generation of hydrogel scaffolds with high spatial control of MSC allocation within the bioprinted construct. In this study, we have performed direct comparisons between commercially available hydrogels in the context of their cytocompatibility toward MSCs and their physicochemical parameters with the aim to identify the most suitable hydrogel for drop‐on‐demand (DoD) printing of MSCs. In this context, we examined matrigel, fibrin, collagen, gelatin, and gelatin/alginate at various hydrogel concentrations. Matrigel, fibrin, collagen, and gelatin were able to support cell viability, but the latter showed a limited potential to promote MSC proliferation. We concentrated our study on fibrin and collagen hydrogels and investigated the effect of hydroxyapatite (HA) inclusion. The inclusion of HA enhanced proliferation and osteogenic differentiation of MSCs and prevented degradation of fibrin in vitro. According to viscosity and storage moduli measurements, HA‐blends displayed physicochemical characteristics suitable for DoD printing. In bioprinting experiments, we confirmed that fibrin and collagen and their respective HA‐blends represent excellent hydrogels for DoD‐based printing as evidenced by high survival rates of printed MSCs. © 2017 Wiley Periodicals, Inc. J Biomed Mater Res Part A: 105A: 3231–3241, 2017.
AAV delivery of GRP78/BiP promotes adaptation of human RPE cell to ER stress
Authors: Ghaderi Shima , Ahmadian Shahin , Soheili Zahra‐Soheila , Ahmadieh Hamid , Samiei Shahram , Kheitan Samira , Pirmardan Ehsan R. 
Published: August 2017

ABSTRACTAdeno associated virus (AAV)‐mediated gene delivery of GRP78 (78 kDa glucose‐regulated protein) attenuates the condition of endoplasmic reticulum (ER) stress and prevents apoptotic loss of photoreceptors in Retinitis pigmentosa (RP) rats. In the current study we overexpressed Grp78 with the help of AAV‐2 in primary human retinal pigmented epithelium (hRPE) cell cultures and examined its effect on cell response to ER stress. The purpose of this work was studying potential stimulating effect of GRP78 on adaptation/pro‐survival of hRPE cells under ER stress, as an in vitro model for RPE degeneration. To investigate the effect of Grp78 overexpression on unfolded protein response (UPR) markers under ER stress, hRPE primary cultures were transduced by recombinant virus rAAV/Grp78, and treated with ER stressor drug, tunicamycin. Expression changes of four UPR markers including GRP78, PERK, ATF6α, and GADD153/CHOP, were assessed by real‐time PCR and western blotting. We found that GRP78 has a great contribution in modulation of UPR markers to favor adaptive response in ER‐stressed hRPE cells. In fact, GRP78 overexpression affected adaptation and apoptotic phases of early UPR, through enhancement of two master regulators/ER stress sensors (PERK and ATF6α) and down‐regulation of a key pro‐apoptotic cascade activator (GADD153/CHOP). Together these findings demonstrate the promoting effect of GRP78 on adaptation/pro‐survival of hRPE cells under ER stress. This protein with anti‐apoptotic actions in the early UPR and important role in cell fate regulation, can be recruited as a useful candidate for future investigations of RPE degenerative diseases.
The participation of fibroblast growth factor 23 (FGF23) in the progression of osteoporosis via JAK/STAT pathway
Authors: Xu Lijun , Zhang Lixia , Zhang Huijuan , Yang Zaigang , Qi Lei , Wang Yurong , Ren Shuxin 
Published: August 2017

AbstractOsteoporosis (OP) is a major skeletal disorder for the old man. The fibroblast growth factor 23 (FGF23) is a phosphaturic hormone produced by osteoblasts and osteocytes. However, the regulatory mechanisms of FGF23 in the progression of osteoporosis remain poorly understood. This study aims to explore the downstream regulating pathway of FGF23 in postmenopausal osteoporosis. The rat model of osteoporosis was established through ovariectomy (OVX). The investigation demonstrated that the serum levels of FGF23 and the phosphorylation levels of JAK2, STAT1, and STAT3 were up‐regulated in the OVX + NVP‐BGJ398 group while were down‐regulated in the OVX + Anti‐FGF23 group than that in the OVX group. Moreover, the JAK2/STAT1/3 inhibitor, AG490 promoted the OVX‐induced increase in the osteocalcin, ALP, BALP, TRAP, and CTX‐I levels. Besides, AG490 enhanced cartilage lesions and increased TUNEL‐positive chondrocytes in the OVX group. In addition, higher protein expression of MMP‐1 and MMP‐13 and lower expression of COX‐II were observed in the OVX + AG490 group than that in the OVX group. Our findings suggested that FGF23 was involved in the progression of osteoporosis via the JAK/STAT signaling pathway.
Balanced caterpillars of maximum degree 3 and with hairs of arbitrary length are subgraphs of their optimal hypercube
Authors: Monien Burkhard , Wechsung Gerd 
Published: August 2017

AbstractA caterpillar is a tree having a path that contains all vertices of of degree at least 3. We show in this article that every balanced caterpillar with maximum degree 3 and 2n vertices is a subgraph of the n‐dimensional hypercube. This solves a long‐standing open problem and generalizes a result of Havel and Liebl (1986), who considered only such caterpillars that have a path containing all vertices of degree at least 2.