bluuebunny/crossref_metadata_2025_split huggingface dataset:
Conformational Selection of Dimethylarginine Recognition by the Survival Motor Neuron Tudor Domain
Authors: Supekar Shreyas , Papageorgiou Anna C. , Gemmecker Gerd , Peltzer Raphael , Johansson Mikael P. , Tripsianes Konstantinos , Sattler Michael , Kaila Ville R. I. 
Published: October 2017

AbstractTudor domains bind to dimethylarginine (DMA) residues, which are post‐translational modifications that play a central role in gene regulation in eukaryotic cells. NMR spectroscopy and quantum calculations are combined to demonstrate that DMA recognition by Tudor domains involves conformational selection. The binding mechanism is confirmed by a mutation in the aromatic cage that perturbs the native recognition mode of the ligand. General mechanistic principles are delineated from the combined results, indicating that Tudor domains utilize cation–π interactions to achieve ligand recognition.
Cetacean rapid assessment: An approach to fill knowledge gaps and target conservation across large data deficient areas
Authors: Braulik Gill T. , Kasuga Magreth , Wittich Anja , Kiszka Jeremy J. , MacCaulay Jamie , Gillespie Doug , Gordon Jonathan , Said Said Shaib , Hammond Philip S. 
Published: October 2017

AbstractMany species and populations of marine megafauna are undergoing substantial declines, while many are also very poorly understood. Even basic information on species presence is unknown for tens of thousands of kilometres of coastline, particularly in the developing world, which is a major hurdle to their conservation.Rapid ecological assessment is a valuable tool used to identify and prioritize areas for conservation; however, this approach has never been clearly applied to marine cetaceans. Here a rapid assessment protocol is outlined that will generate broad‐scale, quantitative, baseline data on cetacean communities and potential threats, that can be conducted rapidly and cost‐effectively across whole countries, or regions.The rapid assessment was conducted in Tanzania, East Africa, and integrated collection of data on cetaceans from visual, acoustic, and interview surveys with existing information from multiple sources, to provide low resolution data on cetacean community relative abundance, diversity, and threats. Four principal threats were evaluated and compared spatially using a qualitative scale: cetacean mortality in fishing gear (particularly gillnets); cetacean hunting, consumption or use by humans; shipping related collision risk and noise disturbance; and dynamite fishing.Ninety‐one groups of 11 species of marine mammal were detected during field surveys. Potentially the most important area for cetaceans was the Pemba Channel, a deep, high‐current waterway between Pemba Island and mainland Africa, where by far the highest relative cetacean diversity and high relative abundance were recorded, but which is also subject to threats from fishing.A rapid assessment approach can be applied in data deficient areas to quickly provide information on cetaceans that can be used by governments and managers for marine spatial planning, management of developments, and to target research activities into the most important locations.
Polymorph‐Dependent Green, Yellow, and Red Emissions of Organic Crystals for Laser Applications
Authors: Xu Zhenzhen , Zhang Zhiwei , Jin Xue , Liao Qing , Fu Hongbing 
Published: October 2017

AbstractColor tuning of organic solid‐state luminescent materials remains difficult and time‐consuming through conventional chemical synthesis. Herein, we reported highly efficient polymorph‐dependent green (P1), yellow (P2), and red (P3) emissions of organic crystals made by the same molecular building blocks of 4‐(2‐{4‐[2‐(4‐diphenylamino‐phenyl)‐vinyl]‐phenyl}‐vinyl)‐benzonitrile (DOPVB). Single‐crystal X‐ray diffraction (XRD) and spectroscopic data reveal that all three polymorphs follow the herringbone packing motif in H‐type aggregations. On the one hand, from P1, P2 to P3, the reduced pitch translation along π stacks increases the intermolecular interactions between adjacent molecules, therefore leading to gradually red‐shifted emissions from 540, 570 to 614 nm. On the other hand, the edge‐to‐face arrangement and large roll translations avoid strong π–π overlap, making P1, P2 and P3 highly emissive with record‐high solid‐state fluorescence quantum yields of 0.60, 0.98, and 0.68, respectively. Furthermore, the optically allowed 0–1 transitions of herringbone H‐aggregates of P1, P2 and P3 naturally provide a four‐level scheme, enabling green and yellow amplified spontaneous emissions (ASE) with very low thresholds.
Entwicklung von thermischen Gebäudelastprofilen für die Dimensionierung von Wärmeerzeugern und zur Simulation von Nahwärmenetzen
Authors: Weißmann Claudia , Wörner Patrick 
Published: October 2017

AbstractHerrn Univ.‐Prof. Dr.‐Ing. Carl‐Alexander Graubner zum 60. Geburtstag gewidmet.Vor dem Hintergrund der Energiewende wird in Gebäuden und Quartieren der klassische gasbetriebene Heizkessel zunehmend durch eine Vielzahl von Wärmeerzeugern ersetzt. Um eine effi ziente Dimensionierung dieser Anlagensysteme in der Planungsphase vornehmen zu können, ist es von Vorteil, wenn der Wärmebedarf des Gebäudes zu kleinen Zeitschritten bekannt ist. Zu diesem Zweck eignen sich thermische Lastprofile, die in Form von Datensätzen in softwaregestütze Modelle zur Berechnung des Anlagenbetriebs implementiert werden können. Im Rahmen dieses Beitrags werden 15‐Minuten‐basierte, gebäudespezifische thermische Lastprofile mittels der Methoden der dynamischen Gebäudesimulation entwickelt. Zunächst wird das methodische Vorgehen für die Entwicklung von typgebäudebezogenen Nutzenergiebedarfsprofilen für die Nachfrage nach Heizwärme und Trinkwarmwasser erläutert. Im zweiten Schritt werden diese Profile mit verschiedenen Wärmeerzeugermodellen gekoppelt, wobei deren Nennleistung, Speichervolumen und Betriebsweise vari ieren. Hierdurch kann auch der Bedarf des Wärmeerzeugers nach Brennstoff oder Strom in Abhängigkeit der Dimensionierung und der Systemregelung zeitschrittbezogen abgebildet werden. Daneben kann durch eine Kombination der vorsimulierten Profile auch der Wärmebedarf eines Quartiers effizient modelliert werden. In diesem Zusammenhang wird abschließend die Einbindung der Profile in ein solares Nahwärmenetzmodell demonstriert.
An overview of energy district tools in Europe and the importance of an equivalent heating reference temperature for district simulations
Authors: Dermentzis Georgios , Schnieders Jürgen , Pfluger Rainer , Pfeifer Domink , Feist Wolfgang , Ochs Fabian 
Published: October 2017

AbstractThe international building sector plays an important role on energy policy and reduction of CO2 emissions. The focus of energy conservation has started from building level and nowadays expands to district, city, region or national level. In this study, an overview, performed within the European project Sinfonia for preparation of a new district tool with focus on energy conservation, will be presented about existing district tools. Several aspects of the tools were included in the overview, such as focus, aim, analytical approach, methodology, geographical coverage, required input data, commercial/freeware, source code, language, tool status, organization/project developing the tool, and web link. The main components of energy district tools such as 3D geographical data, data for building features and properties, and simulation methods were also addressed.Additionally, the issue of appropriate boundary conditions on urban energy analysis, such as user behaviour, will be discussed. A simulation study of a dwelling in various energy standards including different occupant scenarios was performed, and as a result, a formula was developed to estimate an equivalent heating reference temperature as a function of building envelope, living area, and outdoor temperature. Thus, the estimated equivalent heating reference temperature can be used as input in district energy simulations, instead of a constant set point value independent of the building.The present study can serve as a basis for new or further development of tools trying to cover the gap and the limits of the existing ones.
Application of a novel prognostic invasive lesion index in ductal carcinoma in situ with minimal invasion of the breast
Authors: He Xiaofang , Ye Feng , Li Mei , Yu Ping , Xiao Xiangsheng , Tang Hailin , Xie Xiaoming 
Published: October 2017

AbstractMultiple invasive foci has been shown to increase the risk of lymph node metastasis (LNM) in early breast cancer, but its prognostic implication remains unknown. We aimed to identify the prognostic value of the number of invasive foci in ductal carcinoma in situ with minimal invasion of the breast (DCIS‐MI), and further establish a prognostic invasive lesion index (ILI). A total of 193 patients with DCIS‐MI (the invasive component was up to 10 mm in diameter) were included. Univariate and multivariate analysis (logistic regression) were used to evaluate the predictive value of the number of invasive foci in LNM. The Kaplan–Meier curve was used for survival analysis. More than five invasive foci was an independent predictor for LNM (OR, 2.67, 95% CI, 1.12–6.33, P = 0.026), and associated with significantly shorter disease‐free survival (DFS) and overall survival (OS) compared with no more than five invasive foci (mean DFS 123.8 vs. 148.0 months, P = 0.002; and mean OS 133.5 vs. 151.4 months, P = 0.025). The ILI was established by the sum scores of the number of invasive foci and the invasive component size, having an optimal cut‐off point of 5.5 scores. The high‐ILI group (ILI >5 scores) had a higher incidence of LNM (23.6% vs. 6.9%) and worse prognosis than the low‐ILI group (ILI ≤5 scores). In conclusion, more than five invasive foci was an independent predictor for LNM and an unfavorable prognostic parameter. The ILI could potentially be used to predict survival prognosis in patients with DCIS‐MI.
Development and validation of a nomogram predicting the overall survival of stage IV breast cancer patients
Authors: Li Shunrong , Zhao Jianli , Zhu Liling , Su Fengxi , Chen Kai 
Published: October 2017

AbstractThis study aimed to develop a nomogram to predict the overall survival (OS) of stage IV breast cancer patients. We searched the National Cancer Database (NCDB) for stage IV breast cancer patients diagnosed between 2010 and 2013. Predictors of OS were identified and a nomogram was developed and validated using concordance index (C‐index), calibration plots, and risk group stratifications. A total of 7199 patients from the NCDB were included in the study. With a median follow‐up of 25.7 months, the 1‐year and 3‐year OS rates were 80.6% and 52.5%, respectively. Race, age, comorbidity status, T‐stage, grade, ER/PR/Her2 status, the presence of lung/liver/brain metastasis, surgery, radiotherapy, and chemotherapy were significantly associated with OS. The developed nomogram had a C‐index of 0.722 (95% CI 0.710–0.734) and 0.725 (95% CI 0.713–0.736) in the training and the validation cohorts, respectively. The predicted survival using the nomogram is well correlated with actual OS. The nomogram was able to stratify patients into different risk groups, among which the survival benefit of local therapy varied. We developed a nomogram to predict the overall survival of stage IV breast cancer patients. Prospectively designed studies with international collaborations are needed to further validate our nomogram.
Protonation‐Initiated Cyclization by a Class II Terpene Cyclase Assisted by Tunneling
Authors: Eriksson Adam , Kürten Charlotte , Syrén Per‐Olof 
Published: October 2017

AbstractTerpenes represent one of the most diversified classes of natural products with potent biological activities. The key to the myriad of polycyclic terpene skeletons with crucial functions in organisms from all kingdoms of life are terpene cyclase enzymes. These biocatalysts enable stereospecific cyclization of relatively simple, linear, prefolded polyisoprenes by highly complex, partially concerted, electrophilic cyclization cascades that remain incompletely understood. Herein, additional mechanistic light is shed on terpene biosynthesis by kinetic studies in mixed H2O/D2O buffers of a class II bacterial ent‐copalyl diphosphate synthase. Mass spectrometry determination of the extent of deuterium incorporation in the bicyclic product, reminiscent of initial carbocation formation by protonation, resulted in a large kinetic isotope effect of up to seven. Kinetic analysis at different temperatures confirmed that the isotope effect was independent of temperature, which is consistent with hydrogen tunneling.
Nitric oxide synthase inhibitor L‐NAME affects Arabidopsis root growth, morphology, and microtubule organization
Authors: Krasylenko Yuliya A. , Yemets Alla I. , Blume Yaroslav B. 
Published: October 2017

AbstractThe presence of evolutionarily conserved NOS or NOS‐like enzymes in land plants different than those in animals is still unclear, despite their activity has been revealed in cytosol and some organelles. At the same time, the emerging evidence for the importance of L‐arginine‐dependent pathways of NO synthesis in plant cells is still accumulating. The aim of our study was to reveal physiological effects on growth and differentiation processes, and microtubular cytoskeleton organization of the competitive mammalian NO synthase inhibitor Nω‐nitro‐L‐arginine methylester (L‐NAME). Thus, the treatment of Arabidopsis with L‐NAME (50–1 mM) caused dose‐ and time‐dependent inhibition of primary roots growth. Moreover, the morphology of primary roots under the influence of L‐NAME also underwent changes. L‐NAME (>100 µM) induced the formation of novel over‐elongated root hairs in shortened elongation zone, while in higher concentrations (500 µM) it caused a slight swelling of epidermal cells in differentiation zone. L‐NAME also provoked microtubule reorganization in epidermal cells of different root growth zones. Thus, L‐NAME at concentrations of 50–1 mM induced cortical microtubules randomization and/or depolymerization in epidermal cells of the root apex, meristem, transition, elongation, and differentiation zones after 2 h of treatment. Disordered microtubules in trichoblasts could initiate the formation of actively elongating root hairs that reveals longitudinal microtubules ensuring their active growth at 24 h of treatment. Therefore, L‐NAME inhibits primary root growth, induces the differentiation processes in roots, reorganizes cortical microtubules in epidermal root cells suggesting the importance of L‐arginine‐dependent pathways of NO synthesis in plants.
Leptin differentially regulates endochondral ossification in tibial and vertebral epiphyseal plates
Authors: Li Xiaomiao , Shi Sheng , Chen Jianwei , Zhong Guibin , Li Xinfeng , Liu Zude 
Published: October 2017

AbstractLongitudinal bone growth is governed by a complex network of endocrine signals including leptin. In mouse, leptin deficiency leads to distinct phenotypes in bones of the limb and spine, suggesting the appendicular and axial skeletons are subject to differential regulation by leptin. We established primary cultures for the chondrocytes from tibial and vertebral epiphyseal plates. Cellular proliferation and apoptosis were analyzed for the chondrocytes that had been treated with various concentrations of leptin. Crucial factors for chondrocyte proliferation and differentiation, such as BMP7 and Wnt3, were measured in the cells treated with leptin alone or in combination with pharmacological inhibitors of STAT and ERK signaling pathways. Primary culture of tibial epiphyseal plate chondrocytes has greater proliferating capability compared with that of vertebral epiphyseal plate chondrocytes. Leptin could promote the proliferation of tibial epiphyseal plate chondrocytes, while its effect on vertebral epiphyseal plate chondrocytes was inhibitory. Consistently, apoptosis is inhibited in tibial but promoted in vertebral epiphyseal plate chondrocytes by leptin. Importantly, leptin differentially modulates chondrogenic signaling pathways in tibial and vertebral epiphyseal chondrocytes through STAT and ERK pathways. Leptin differentially regulates chondrogenic proliferation and differentiation in appendicular and axial regions of the skeletons. The signaling pathways in these two regions are also distinct and subject to differential regulation by leptin through the STAT pathway in tibial epiphyseal plate chondrocytes but through the ERK pathway in vertebral epiphyseal plate chondrocytes. Therefore, the regulation of leptin is multi‐faceted in the distinct anatomical regions of the skeleton. Knowledge gained from this system will provide insights into the pathophysiological causes for the diseases related to bone development and metabolism.
Concomitant occurrence of primary hyperparathyroidism (PHPT) due to mediastinal parathyroid adenoma and sublingual thyroid gland: the role of parathyroid technetium‐99m‐MIBI scintigraphy
Authors: Choukry Sara , Benouhoud Jaafar , Cherkaoui Salhi Ghofrane , Taleb Sara , Guensi Amal , Choukry Karim 
Published: October 2017

Key Clinical MessageThe concomitant appearance of a sublingual thyroid and primary hyperparathyroidism due to parathyroid mediastinal adenoma is not common. This co‐occurrence can lead to a misdiagnosis by morphological imaging methods alone. This case emphasizes the role of 99mTc‐MIBI scintigraphy in the detection of parathyroid ectopic adenoma in a patient with an ectopic thyroid gland. This more accurate location of parathyroid scintigraphy is of great benefit to the surgeon for surgical excision.
Pauling Electronegativity On/Off Effects Assessed by 13C and 29Si NMR Spectroscopic Analysis
Authors: Benedetti Michele , De Castro Federica , Fanizzi Francesco P. 
Published: October 2017

AbstractIn carbon and silicon tetrahalide compounds, the experimental 13C and 29Si NMR chemical‐shift values are known to increase or decrease on increasing the overall sum of the ionic radii of the bonded halides Σ(rh) (normal and inverse halogen dependence (NHD and IHD, respectively)). Herein, we extrapolate the main factors responsible for such NMR chemical shifts. Intriguingly, we found a characteristic value for the overall sum of the Pauling electronegativities of the bonded halides Σ(χh), which works as a triggering factor to determine the transition from the NHD to IHD. Below this Σ(χh) value, the chemical shift of the central atom was strictly related to only the Σ(rh) value, thus producing a NHD trend. Conversely, above this value, the chemical shift of the central atom was dependent on both the Σ(rh) and Σ(χh) values, thus producing a IHD trend. A simple model, in which the effect of the Σ(χh) value on 13C and 29Si NMR chemical shifts is related to an apparent increase in the Σ(rh) value, is deduced.
Metallic Ni3P/Ni Co‐Catalyst To Enhance Photocatalytic Hydrogen Evolution
Authors: Zhao Jun Jie , Liu Peng Fei , Wang Yu Lei , Li Yu Hang , Zu Meng Yang , Wang Chong Wu , Wang Xue Lu , Fang Li Jun , Zeng Hui Dan , Yang Hua Gui 
Published: October 2017

AbstractMetallic Ni3P/Ni can be used as a co‐catalyst to replace noble metal Pt for efficient photocatalytic hydrogen evolution, due to its excellent trapping‐electron ability. The applications of metallic Ni3P/Ni co‐catalyst on CdS, Zn0.5Cd0.5S, TiO2 (Degussa P25) and g‐C3N4 are further confirmed, indicating its versatile applicability nature like Pt.
Pseudocyclic Arylbenziodoxaboroles: Efficient Benzyne Precursors Triggered by Water at Room Temperature
Authors: Yoshimura Akira , Fuchs Jonathan M. , Middleton Kyle R. , Maskaev Andrey V. , Rohde Gregory T. , Saito Akio , Postnikov Pavel S. , Yusubov Mekhman S. , Nemykin Victor N. , Zhdankin Viktor V. 
Published: October 2017

AbstractNew organohypervalent iodine compounds, arylbenziodoxaborole triflates, were prepared from 1‐acetoxybenziodoxaboroles and arenes by treatment with trifluoromethanesulfonic acid under mild conditions. Single crystal X‐ray crystallography of these compounds revealed a pseudocyclic structure with a short intramolecular interaction of 2.698 to 2.717 Å between oxygen and iodine in the benziodoxaborole ring. These new pseudocyclic aryliodonium salts readily generate aryne intermediates upon treatment with water at room temperature. The generated aryne intermediates react with various substrates to give the corresponding aryne adducts in moderate to good yields. Furthermore, the new benzyne precursors can also work as arylating reagents towards aromatic rings. The aryne intermediates generated from arylbenziodoxaborole triflates selectively react with tert‐butyl phenol forming products of ortho arylation in moderate yields.
Click Chemistry for Analysis of Cell Proliferation in Flow Cytometry
Authors: Clarke Scott T. , Calderon Veronica , Bradford Jolene A. 
Published: October 2017

AbstractThe measurement of cellular proliferation is fundamental to the assessment of cellular health, genotoxicity, and the evaluation of drug efficacy. Labeling, detection, and quantification of cells in the synthesis phase of cell cycle progression are not only important for characterizing basic biology, but also in defining cellular responses to drug treatments. Changes in DNA replication during S‐phase can provide valuable insights into mechanisms of cell growth, cell cycle kinetics, and cytotoxicity. A common method for detection of cell proliferation is the incorporation of a thymidine analog during DNA synthesis. This chapter presents a pulse labeling method using the thymidine analog, 5‐ethynyl‐2′‐deoxyuridine (EdU), with subsequent detection by click chemistry. EdU detection using click chemistry is bio‐orthogonal to most living systems and does not non‐specifically label other biomolecules. Live cells are first pulsed with EdU. After antibody labeling cell surface markers, fixation, and permeabilization, the incorporated EdU is covalently labeled using click chemistry thereby identifying proliferating cells. Improvements in click chemistry allow for labeling in the presence of fluorescent proteins and phycobiliproteins without quenching due to copper. Measuring DNA replication during cell cycle progression has cell health applications in flow cytometry, fluorescence microscopy, and high content imaging. This protocol has been developed and optimized for research use only and is not suitable for use in diagnostic procedures. © 2017 by John Wiley & Sons, Inc.
CyTOF Measurement of Immunocompetence Across Major Immune Cell Types
Authors: Subrahmanyam Priyanka B. , Maecker Holden T. 
Published: October 2017

AbstractThe central role of the immune system is becoming appreciated in a wide variety of diseases. Cancer immunotherapy is one area that has yielded much recent success, although not all patients benefit equally. At the same time, recent studies have highlighted the heterogeneity of the human immune system. Despite this heterogeneity, we do not routinely measure immune competence in clinical practice, and there are no consensus assays of healthy immune function. Using mass cytometry (CyTOF), we can simultaneously detect ∼40 markers to identify various cell subsets and determine their function by the expression of cytokines, cytotoxicity, and activation markers. This can help assess ‘immunocompetence’ and facilitate better implementation of immunotherapies, both in specific disease settings and perhaps eventually as a prognostic tool in healthy subjects. Here we introduce the concepts behind this assay and provide a protocol that we have successfully implemented to identify possible predictive biomarkers of immunotherapy outcome. © 2017 by John Wiley & Sons, Inc.