bluuebunny/crossref_metadata_2025_split huggingface dataset:
W4‐17: A diverse and high‐confidence dataset of atomization energies for benchmarking high‐level electronic structure methods
Authors: Karton Amir , Sylvetsky Nitai , Martin Jan M. L. 
Published: July 2017

Atomization reactions are among the most challenging tests for electronic structure methods. We use the first‐principles Weizmann‐4 (W4) computational thermochemistry protocol to generate the W4‐17 dataset of 200 total atomization energies (TAEs) with 3σ confidence intervals of 1 kJ mol−1. W4‐17 is an extension of the earlier W4‐11 dataset; it includes first‐ and second‐row molecules and radicals with up to eight non‐hydrogen atoms. These cover a broad spectrum of bonding situations and multireference character, and as such are an excellent benchmark for the parameterization and validation of highly accurateab initiomethods (e.g., CCSD(T) composite procedures) and double‐hybrid density functional theory (DHDFT) methods. The W4‐17 dataset contains two subsets (i) a non‐multireference subset of 183 systems characterized by dynamical or moderate nondynamical correlation effects (denoted W4‐17‐nonMR) and (ii) a highly multireference subset of 17 systems (W4‐17‐MR). We use these databases to evaluate the performance of a wide range of CCSD(T) composite procedures (e.g., G4, G4(MP2), G4(MP2)‐6X, ROG4(MP2)‐6X, CBS‐QB3, ROCBS‐QB3, CBS‐APNO, ccCA‐PS3, W1, W2, W1‐F12, W2‐F12, W1X‐1, and W2X) and DHDFT methods (e.g., B2‐PLYP, B2GP‐PLYP, B2K‐PLYP, DSD‐BLYP, DSD‐PBEP86, PWPB95, ωB97X‐2(LP), and ωB97X‐2(TQZ)). © 2017 Wiley Periodicals, Inc.
Vitamin D, a modulator of musculoskeletal health in chronic kidney disease
Authors: Molina Pablo , Carrero Juan J. , Bover Jordi , Chauveau Philippe , Mazzaferro Sandro , Torres Pablo Ureña ,   for the European Renal Nutrition (ERN) and Chronic Kidney Disease‐Mineral and Bone Disorder (CKD‐MBD) Working Groups of the European Renal Association–European Dialysis Transplant Association (ERA‐EDTA)
Published: July 2017

AbstractThe spectrum of activity of vitamin D goes beyond calcium and bone homeostasis, and growing evidence suggests that vitamin D contributes to maintain musculoskeletal health in healthy subjects as well as in patients with chronic kidney disease (CKD), who display the combination of bone metabolism disorder, muscle wasting, and weakness. Here, we review how vitamin D represents a pathway in which bone and muscle may interact. In vitro studies have confirmed that the vitamin D receptor is present on muscle, describing the mechanisms whereby vitamin D directly affects skeletal muscle. These include genomic and non‐genomic (rapid) effects, regulating cellular differentiation and proliferation. Observational studies have shown that circulating 25‐hydroxyvitamin D levels correlate with the clinical symptoms and muscle morphological changes observed in CKD patients. Vitamin D deficiency has been linked to low bone formation rate and bone mineral density, with an increased risk of skeletal fractures. The impact of low vitamin D status on skeletal muscle may also affect muscle metabolic pathways, including its sensitivity to insulin. Although some interventional studies have shown that vitamin D may improve physical performance and protect against the development of histological and radiological signs of hyperparathyroidism, evidence is still insufficient to draw definitive conclusions.
Obestatin controls the ubiquitin–proteasome and autophagy–lysosome systems in glucocorticoid‐induced muscle cell atrophy
Authors: Cid‐Díaz Tania , Santos‐Zas Icía , González‐Sánchez Jessica , Gurriarán‐Rodríguez Uxía , Mosteiro Carlos S. , Casabiell Xesús , García‐Caballero Tomás , Mouly Vincent , Pazos Yolanda , Camiña Jesús P. 
Published: July 2017

AbstractBackgroundMany pathological states characterized by muscle atrophy are associated with an increase in circulating glucocorticoids and poor patient prognosis, making it an important target for treatment. The development of treatments for glucocorticoid‐induced and wasting disorder‐related skeletal muscle atrophy should be designed based on how the particular transcriptional program is orchestrated and how the balance of muscle protein synthesis and degradation is deregulated. Here, we investigated whether the obestatin/GPR39 system, an autocrine/paracrine signaling system acting on myogenesis and with anabolic effects on the skeletal muscle, could protect against glucocorticoid‐induced muscle cell atrophy.MethodsIn the present study, we have utilized mouse C2C12 myotube cultures to examine whether the obestatin/GPR39 signaling pathways can affect the atrophy induced by the synthetic glucocorticoid dexamethasone. We have extended these findings to in vitro effects on human atrophy using human KM155C25 myotubes.ResultsThe activation of the obestatin/GPR39 system protects from glucocorticoid‐induced atrophy by regulation of Akt, PKD/PKCμ, CAMKII and AMPK signaling and its downstream targets in the control of protein synthesis, ubiquitin–proteasome system and autophagy–lysosome system in mouse cells. We compared mouse and human myotube cells in their response to glucocorticoid and identified differences in both the triggering of the atrophic program and the response to obestatin stimulation. Notably, we demonstrate that specific patterns of post‐translational modifications of FoxO4 and FoxO1 play a key role in directing FoxO activity in response to obestatin in human myotubes.ConclusionsOur findings emphasize the function of the obestatin/GPR39 system in coordinating a variety of pathways involved in the regulation of protein degradation during catabolic conditions.
Grünbaum colorings of even triangulations on surfaces
Authors: Kotrbčík Michal , Matsumoto Naoki , Mohar Bojan , Nakamoto Atsuhiro , Noguchi Kenta , Ozeki Kenta , Vodopivec Andrej 
Published: July 2017

AbstractA Grünbaum coloring of a triangulation G is a map c : such that for each face f of G, the three edges of the boundary walk of f are colored by three distinct colors. By Four Color Theorem, it is known that every triangulation on the sphere has a Grünbaum coloring. So, in this article, we investigate the question whether each even (i.e., Eulerian) triangulation on a surface with representativity at least r has a Grünbaum coloring. We prove that, regardless of the representativity, every even triangulation on a surface has a Grünbaum coloring as long as is the projective plane, the torus, or the Klein bottle, and we observe that the same holds for any surface with sufficiently large representativity. On the other hand, we construct even triangulations with no Grünbaum coloring and representativity , and 3 for all but finitely many surfaces. In dual terms, our results imply that no snark admits an even map on the projective plane, the torus, or the Klein bottle, and that all but finitely many surfaces admit an even map of a snark with representativity at least 3.
Characterization of controlled cortical impact devices by high‐speed image analysis
Authors: Kim Yeonho , Fu Amanda H. , Tucker Laura B. , Liu Jiong , McCabe Joseph T. 
Published: July 2017

AbstractAs a consequence of their commercial availability, ease of use, and reproducibility, controlled cortical impact (CCI) devices have attained significant prevalence in preclinical traumatic brain injury research. With a CCI, the severity of injury is controlled by varying the impact depth, velocity, and duration, but the actual performance of the device is not well appreciated, partly because of the velocity and short travel distance to impact. This study used a high‐speed video digital camera to investigate the performance of five electromagnetically driven CCI devices of the same model. Videography indicated that the impactor tip made a series of distinctive vertical advances and retractions before it attained the desired preset depth; this was also observed in male mouse CCI tests. The impactor tip was also observed to move in the horizontal direction by .8–1.6 mm. On the first advance, the tip extended a distance that was shorter than the preset depth and the velocity of impactor tip was slightly faster than the preset values for three of the five machines. One of the devices was evaluated on four separate occasions over a 14‐month period and was found to operate consistently over time. Overall, differences in impact depth and velocity between the devices were modest, suggesting that comparisons of experimental results from different laboratories will generally be informative, particularly if reports provide relevant descriptions of neuropathology. However, the repetitive extension and retraction and horizontal movement of the tip suggests caution in modeling CCI as a single injurious event.
Cosmetic potentials of Prunus domestica L. leaves
Authors: Stierlin Emilie , Azoulay Stéphane , Massi Lionel , Fernandez Xavier , Michel Thomas 
Published: July 2017

AbstractBACKGROUNDThe current study presents new insight on the phytochemical content and biological activities of five Prunus domestica L. varieties (‘Quetsche blanche de Létricourt’, ‘Mirabelle de Nancy’, ‘Perdrigon violet’, ‘Mirabelle de Provence’, ‘Reine‐claude dorée’).RESULTSThe plum leaves were found to possess promising anti‐aging activities by their capacity to inhibit 1,1‐diphenyl‐2‐picrylhydrazyl (DPPH), elastase, hyaluronidase and lipoxygenase. After solid phase extraction (SPE), chlorogenic acid, rutin, quercetin and their derivatives were putatively identified by high‐performance liquid chromatography coupled with tandem mass spectrometry using an electrospray ionization source (HPLC/ESI‐MS/MS).CONCLUSIONThe plum leaf, a by‐product, provides an interesting valuable resource for use as a natural cosmetic product or as a food supplement. © 2017 Society of Chemical Industry
Omics approaches on fresh‐cut lettuce reveal global molecular responses to sodium hypochlorite and peracetic acid treatment
Authors: Daddiego Loretta , Bianco Linda , Capodicasa Cristina , Carbone Fabrizio , Dalmastri Claudia , Daroda Lorenza , Del Fiore Antonella , De Rossi Patrizia , Di Carli Mariasole , Donini Marcello , Lopez Loredana , Mengoni Alessio , Paganin Patrizia , Perrotta Gaetano , Bevivino Annamaria 
Published: July 2017

AbstractBACKGROUNDLettuce is a leafy vegetable that is extensively commercialized as a ready‐to‐eat product because of its widespread use in human nutrition as salad. It is well known that washing treatments can severely affect the quality and shelf‐life of ready‐to‐eat vegetables. The study presented here evaluated the effect of two washing procedures on fresh‐cut lettuce during storage.RESULTSAn omics approach was applied to reveal global changes at molecular level induced by peracetic acid washing in comparison with sodium hypochlorite treatment. Microbiological analyses were also performed to quantify total bacterial abundance and composition. The study revealed wide metabolic alterations induced by the two sanitizers. In particular, transcriptomic and proteomic analyses pointed out a number of transcripts and proteins differentially accumulated in response to peracetic acid washing, mainly occurring on the first day of storage. In parallel, different microbiota composition and significant reduction in total bacterial load following washing were also observed.CONCLUSIONThe results provide useful information for the fresh‐cut industry to select an appropriate washing procedure preserving fresh‐like attributes as much as possible during storage of the end product. Molecular evidence indicated peracetic acid to be a valid alternative to sodium hypochlorite as sanitizer solution. © 2017 Society of Chemical Industry
Effect of teapot materials on the chemical composition of oolong tea infusions
Authors: Liao Zih‐Hui , Chen Ying‐Jie , Tzen Jason Tze‐Cheng , Kuo Ping‐Chung , Lee Maw‐Rong , Mai Fu‐Der , Rairat Tirawat , Chou Chi‐Chung 
Published: July 2017

AbstractBACKGROUNDThe flavor and quality of tea are widely believed to be associated with the pot in which the tea is made. However, this claim is mostly by experiences and lacks solid support from scientific evidence. The current study investigated and compared the chemical compositions of oolong tea made with six different teapot materials, namely Zisha, Zhuni, stainless steel, ceramic, glass and plastic.RESULTSFor each tea sample, polyphenols and caffeine were examined by HPLC‐UV, volatile compounds by GC/MS, amino acids by LC/MS and minerals by ICP‐MS. The results suggested that tea infusions from Zisha and Zhuni pots contain higher levels of EGC, EGCG and total catechins and less caffeine than those from ceramic, glass and plastic pots and tend to have the lowest total mineral contents, potassium and volatile compounds in tea soup. The statistical differences were not all significant among Zisha, Zhuni and stainless steel pots.CONCLUSIONBased on the overall chemical composition of the tea infusion, Yixing clay pots (Zisha and Zhuni) produce tea infusions that are presumably less bitter and more fragrant and tend to contain more healthful compounds than tea infusions from other pots. The results could partially explain why Yixing clay pots are among the most popular teapots. The beneficial effects of long‐term repeated use of these teapots warrants further study. © 2017 Society of Chemical Industry
Chemical composition, antimicromicrobial activity and insecticidal activity against the lesser mealworm Alphitobius diaperinus (Panzer) (Coleoptera: Tenebrionidae) of Origanum vulgare L. ssp. hirtum (Link) and Artemisia dracunculus L. essential oils
Authors: Szczepanik Maryla , Walczak Maciej , Zawitowska Beata , Michalska‐Sionkowska Marta , Szumny Antoni , Wawrzeńczyk Czesław , Brzezinska Maria Swiontek 
Published: July 2017

AbstractBACKGROUNDEssential oils (EOs) from Artemisia dracunculus L. and Origanum vulgare L. ssp. hirtum were obtained and the qualitative and quantitative chemical composition of the extracts was investigated. The insecticidal activity of EOs against the larval stages of Alphitobius diaperinus (Panzer) was studied. Moreover, the antimicrobial activity of these oils against pathogens transmitted by this pest was also investigated.RESULTSThe obtained results indicate the possibility of using Greek oregano EO with a high content of carvacrol as a feed additive in poultry nutrition. The use of the Greek oregano oil at 1% (w/w) dose showed stronger reduction of body weight gain of stage IV larvae. Their body mass was only 10.92% of the control. Moreover, EOs from O. vulgare strongly inhibited the growth of tested bacterial strains as well as Candida albicans.CONCLUSIONGreek oregano EO may be a good alternative to antibiotic growth promoters and coccidiostats whose use in feeding farm animals has been prohibited since January 2006 under European Union directives. The introduction of O. vulgare L. ssp. hirtum EO into the premises of farm and poultry houses may help to improve sanitary conditions and control of the lesser mealworm inhabiting these buildings. © 2017 Society of Chemical Industry
Role of fungi in chronic rhinosinusitis through ITS sequencing
Authors: Zhao Yi Chen , Bassiouni Ahmed , Tanjararak Kangsadarn , Vreugde Sarah , Wormald Peter‐John , Psaltis Alkis James 
Published: July 2017

ObjectiveNext‐generation sequencing increases the sensitivity of fungal identification and may improve our understanding of the role that fungi play in sinus health and disease, which remains incompletely understood. We sequenced the internal transcribed spacer (ITS) amplicon to explore the role of the mycobiome in chronic rhinosinusitis (CRS).MethodsSwabs were collected intraoperatively from the middle meatus of 90 patients (63 with CRS; 27 controls). DNA was extracted, and ITS amplicon concentration was measured using fluorometry. Internal transcribed spacer amplicons were sequenced on the Illumina MiSeq (Illumina Inc San Diego CA). Sequencing data were analyzed using QIIME.ResultsUsing conventional detection techniques of culture and histology, fungi only were identified in nine of 63 (14.3%) CRS patients (fungus‐identified group); the remaining 54 CRS patients and all controls did not have fungus identified using the traditional techniques. This fungus‐identified group had a significantly higher average ITS concentration and a significantly lower Shannon's diversity index compared to the other two groups. The most abundant organism sequenced was Aspergillus (35.22% of all sequences). Multivariate analysis showed that positive fungal detection using traditional techniques and computed tomography (CT) double densities were the most important clinical predictors of a high fungal biomass, whereas Lund‐Mackay score, polyps, eosinophilia, and eosinophilic mucus were not significant in comparison.ConclusionFungal biomass estimated through ITS amplicon concentration correlated with traditional fungal detection techniques and CT double densities. Our results suggest that fungal dysbiosis only occurs in the sinuses of a selected subset of patients, and therefore could not be a universal determinant of sinus disease pathogenesis in all CRS patients.Level of EvidenceNA. Laryngoscope, 128:16–22, 2018
Strong Memory Effect of Metastable β Form Trans‐1,4‐Polyisoprene above Equilibrium Melting Temperature
Authors: Lu Jie , Yang Haoran , Ji Youxin , Li Xiangyang , Lv Yankun , Su Fengmei , Li Liangbin 
Published: July 2017

AbstractThe memory effect of metastable β form crystals of trans‐1,4‐polyisoprene (TPI) is investigated with its thermodynamically stable α‐TPI as reference. Unexpectedly, β‐TPI exhibits a stronger memory effect over α‐TPI. The memory temperature of β‐TPI can be 20 °C higher than its equilibrium melting point (78 °C), while α‐TPI has lost memory below the equilibrium melting point (87 °C). Moreover, the ordered structures in β‐TPI memorized melt accelerate spherulite growth, and the growth rate depends on melting time, similar to previous mesomorphic isotactic polypropylene studies, implying metastable phase may have universal memory effects: wide memory temperature range, crystal nucleation and growth accelerating. The higher memory temperature of metastable phase may be from weak entropic difference with isotropic melt, which cannot overcome the barrier from entanglements as thermodynamically stable phase, leading to slow relaxation. This discovery can regulate crystalline morphologies of polymers by controlling the locations of different form crystals.
Turnschuhe aus Spinnenseide
Authors: Götzinger Alissa 
Published: July 2017

AbstractSeit dem Jahr 2001 forscht der Proteinchemiker Thomas Scheibel daran, Spinnenseide biotechnisch herzustellen. Nun kooperiert Adidas mit seinem Unternehmen und hat einen Prototypen eines Turnschuhs aus dem Material vorgestellt.
Evaluation of pelvic floor kinematics in continent and incontinent women during running: An exploratory study
Authors: Leitner Monika , Moser Helene , Eichelberger Patric , Kuhn Annette , Baeyens Jean‐Pierre , Radlinger Lorenz 
Published: July 2017

AimsImpact activity like running is associated with an increase in intra‐abdominal pressure which needs to be sufficiently countered by pelvic floor muscle (PFM) activity to secure continence. The aim of this study was to investigate and compare PFM kinematics in continent and incontinent women during running.Methos Three‐dimensional position and orientation was measured with the electromagnetic tracking device trakSTAR™. One sensor was attached to the vaginal probe and a second one was secured to the subjects’ skin at the height of the second sacral vertebrae. Cranial‐caudal and forward‐backward displacement of the vaginal probe was measured during 10 sec running on a treadmill at the speeds 7, 11, and 15 km/h. Displacement data from 100 ms before to 300 ms after heel‐strike were analyzed.Results Nineteen incontinent and twenty‐seven continent women were included in this study. Before the foot touched the ground caudal translation and forward rotation of the vaginal probe was detected, whereas after heel‐strike a cranial translation and backward rotation was measured. Cranial‐caudal translation as well as backward‐forward‐rotation did not differ significantly between continent and incontinent subjects for the three speeds. Analysis of maximum displacements showed significantly increasing displacement with increasing speeds.Conclusions  Kinematic measurements during impact activity of running demonstrated caudal translation before and cranial translation after heel‐strike. The hypothesis of caudal translation through impact activity was not confirmed. Patterns seem similar between continent and incontinent subjects. Associations between the direction of displacement and muscle action of PFMs remain assumptions.
Ideally Hexagonally Ordered TiO2 Nanotube Arrays
Authors: Sopha Hanna , Samoril Tomas , Palesch Erik , Hromadko Ludek , Zazpe Raul , Skoda David , Urbanek Michal , Ng Siowwoon , Prikryl Jan , Macak Jan M. 
Published: July 2017

AbstractIdeally hexagonally ordered TiO2 nanotube layers were produced through the optimized anodization of Ti substrates. The Ti substrates were firstly covered with a TiN protecting layer prepared through atomic layer deposition (ALD). Pre‐texturing of the TiN‐protected Ti substrate on an area of 20×20 μm2 was carried out by focused ion beam (FIB) milling, yielding uniform nanoholes with a hexagonal arrangement throughout the TiN layer with three different interpore distances. The subsequent anodic nanotube growth using ethylene‐glycol‐based electrolyte followed the pre‐textured nanoholes, resulting in perfectly ordered nanotube layers (resembling honeycomb porous anodic alumina) without any point defects and with a thickness of approximately 2 μm over the whole area of the pattern.
Pediatric cancer pathology review from a single institution: Neuropathology expert opinion is essential for accurate diagnosis of pediatric brain tumors
Authors: Merabi Zeina , Boulos Fouad , Santiago Teresa , Jenkins Jesse , Abboud Miguel , Muwakkit Samar , Tarek Nidale , Zaatari Ghazi , Jeha Sima , El‐Solh Hassan , Saab Raya 
Published: July 2017

AbstractBackground and objectivesSecond pathology review has been reported to improve accuracy in oncologic diagnoses, including pediatric malignancies. We assessed the impact of second review on the diagnosis of pediatric malignancies at a tertiary care referral center in Beirut, Lebanon.MethodsPathology reports of patients treated at the Children's Cancer Institute in Lebanon were retrospectively reviewed for the period 2008–2016 and compared with same samples’ diagnoses at St. Jude Children's Research Hospital. Diagnostic disagreements were divided into major, minor, and none based on their effect on diagnosis and/or patient management.ResultsSecond review was requested for 171 cases, accounting for 19% of all cases during that period. Second opinion was mostly requested for brain tumors (62% of all brain tumor cases) and neuroblastoma for NMYC testing (65% of all neuroblastoma), while hematologic malignancies had the fewest referrals (3% of all hematologic cases). Major disagreements in second review occurred in 20 cases (12% of total), and minor disagreements in 21 cases (12% of total). The largest proportion of major disagreements (71%) occurred in pediatric brain tumors, and novel molecular tests contributed to the diagnosis in 55% of these cases.ConclusionsThe availability of a specialized pediatric neuropathologist and a basic panel of relevant molecular testing are essential for appropriate diagnosis of pediatric brain tumors. Centers that do not have the available infrastructure in place can benefit greatly from second review referrals for this challenging subset of tumors.