bluuebunny/crossref_metadata_2025_split huggingface dataset:
Halogen bonding between substituted chlorobenzene and trimethylamine: Decisive role of σ–hole and CCl bond breaking energy
Authors: Sutradhar Dipankar , Chandra Asit. K. 
Published: October 2017

AbstractTheoretical studies have been carried out on the halogen bonding interaction between para substituted chlorobenzene (YC6H4Cl, Y = H, NH2, CH3, F, CN, NO2) and N(CH3)3 using ab initio MP2/aug‐cc‐pVDZ and DFT based wB97XD/6‐311++G(d,p) methods. The positive electrostatic potential (VS,max) on the Cl atom and the heterolytic bond breaking enthalpy of the CCl bond have been calculated and their role on halogen bonding is discussed. The heterolytic bond breaking enthalpy of the CCl bond is proposed as a measure of the strength of the σ‐hole on Cl atom. The binding strength of the complexes ranging between −6.13 kJ mol−1 and −9.29 kJ mol−1 are linearly related to the VS,max of the Cl atom and the bond breaking enthalpy of the CCl bond. In addition, energy decomposition analysis was performed on the halogen bonded complexes via symmetry adapted perturbation theory (SAPT) to predict the dominant energy component and the nature of the N···Cl interaction.
Influence of multinerve‐sparing, robot‐assisted radical prostatectomy on the recovery of erection in Japanese patients
Authors: Yumioka Tetsuya , Honda Masashi , Kimura Yusuke , Yamaguchi Noriya , Iwamoto Hideto , Morizane Shuichi , Hikita Katsuya , Takenaka Atsushi 
Published: October 2017

AbstractPurposeTo evaluate in Japanese patients their sexual function after robot‐assisted radical prostatectomy (RARP) and to investigate the influence of the multinerve‐sparing (NS) grade on their sexual function.MethodsIn total, 225 patients were reviewed with localized prostate cancer who underwent RARP at the authors' institution. They underwent RARP >3 months ago, without pre‐ and posthormone therapy and salvage radiation. Self‐administered International Index of Erectile Function (IIEF) questionnaires were used for assessment preoperatively and 1–48 months postoperatively. In all, 129 patients were evaluated with the preoperative IIEF‐Question 1 and who achieved a score of ≥2 by being divided into five NS groups. The recovery rates of erection (postoperative IIEF‐Question 1 score of ≥2) were calculated by using the Kaplan–Meier analysis.ResultsSeventy‐four percent of all the patients had not attempted sexual intercourse, but 60% had felt sexual desire at 24 months postoperatively. In those patients with a preoperative erection, the recovery rate of erection was 58% at 24 months after the RARP. Across the five NS groups, as the procedure was more nerve‐sparing, the recovery rate of erection became significantly higher. The postoperative effects on erection in the bilateral and unilateral NS groups were significantly superior to those in the other NS groups.ConclusionIn Japanese patients, erection after a RARP is improved with multiNS grade procedures.
Framing negotiation: Dynamics of epistemological and positional framing in small groups during scientific modeling
Authors: Shim Soo‐Yean , Kim Heui‐Baik 
Published: October 2017

AbstractIn this study, we examined students’ epistemological and positional framing during small group scientific modeling to explore their context‐dependent perceptions about knowledge, themselves, and others. We focused on two small groups of Korean eighth‐grade students who participated in six modeling activities about excretion. The two groups were purposefully selected because the students showed contrasting patterns of collaboration in modeling activities and sometimes showed significant shifts in their participation. We qualitatively analyzed the students' epistemological framing, positional framing, and modeling processes in each episode, based on their discourse and behaviors in the modeling practices. We found that the students’ epistemological and positional framing were dynamically intertwined with each other and worked together to guide the students’ participation in the group modeling. The students actively constructed and negotiated their perceptions about how to participate in the modeling practices, and those epistemological perceptions were closely related to how they positioned themselves and other participants in each context. This study suggests that it is important to attend to the dynamics of students’ epistemological and positional framing in order to understand and facilitate the students’ participation in science practice communities.
Enhanced Stem Cell Differentiation and Immunopurification of Genome Engineered Human Retinal Ganglion Cells
Authors: Sluch Valentin M. , Chamling Xitiz , Liu Melissa M. , Berlinicke Cynthia A. , Cheng Jie , Mitchell Katherine L. , Welsbie Derek S. , Zack Donald J. 
Published: October 2017

Abstract
Human pluripotent stem cells have the potential to promote biological studies and accelerate drug discovery efforts by making possible direct experimentation on a variety of human cell types of interest. However, stem cell cultures are generally heterogeneous and efficient differentiation and purification protocols are often lacking. Here, we describe the generation of clustered regularly-interspaced short palindromic repeats(CRISPR)-Cas9 engineered reporter knock-in embryonic stem cell lines in which tdTomato and a unique cell-surface protein, THY1.2, are expressed under the control of the retinal ganglion cell (RGC)-enriched gene BRN3B. Using these reporter cell lines, we greatly improved adherent stem cell differentiation to the RGC lineage by optimizing a novel combination of small molecules and established an anti-THY1.2-based protocol that allows for large-scale RGC immunopurification. RNA-sequencing confirmed the similarity of the stem cell-derived RGCs to their endogenous human counterparts. Additionally, we developed an in vitro axonal injury model suitable for studying signaling pathways and mechanisms of human RGC cell death and for high-throughput screening for neuroprotective compounds. Using this system in combination with RNAi-based knockdown, we show that knockdown of dual leucine kinase (DLK) promotes survival of human RGCs, expanding to the human system prior reports that DLK inhibition is neuroprotective for murine RGCs. These improvements will facilitate the development and use of large-scale experimental paradigms that require numbers of pure RGCs that were not previously obtainable.
Concise Review: Tissue Engineering of Urinary Bladder; We Still Have a Long Way to Go?
Authors: Adamowicz Jan , Pokrywczynska Marta , Van Breda Shane Vontelin , Kloskowski Tomasz , Drewa Tomasz 
Published: October 2017

Abstract
Regenerative medicine is a new branch of medicine based on tissue engineering technology. This rapidly developing field of science offers revolutionary treatment strategy aimed at urinary bladder regeneration. Despite many promising announcements of experimental urinary bladder reconstruction, there has been a lack in commercialization of therapies based on current investigations. This is due to numerous obstacles that are slowly being identified and precisely overcome. The goal of this review is to present the current status of research on urinary bladder regeneration and highlight further challenges that need to be gradually addressed. We put an emphasis on expectations of urologists that are awaiting tissue engineering based solutions in clinical practice. This review also presents a detailed characteristic of obstacles on the road to successful urinary bladder regeneration from urological clinician perspective. A defined interdisciplinary approach might help to accelerate planning transitional research tissue engineering focused on urinary tracts.
Group IVA Element (Si, Ge, Sn)‐Based Alloying/Dealloying Anodes as Negative Electrodes for Full‐Cell Lithium‐Ion Batteries
Authors: Liu Dequan , Liu Zheng jiao , Li Xiuwan , Xie Wenhe , Wang Qi , Liu Qiming , Fu Yujun , He Deyan 
Published: October 2017

AbstractTo satisfy the increasing energy demands of portable electronics, electric vehicles, and miniaturized energy storage devices, improvements to lithium‐ion batteries (LIBs) are required to provide higher energy/power densities and longer cycle lives. Group IVA element (Si, Ge, Sn)‐based alloying/dealloying anodes are promising candidates for use as electrodes in next‐generation LIBs owing to their extremely high gravimetric and volumetric capacities, low working voltages, and natural abundances. However, due to the violent volume changes that occur during lithium‐ion insertion/extraction and the formation of an unstable solid electrolyte interface, the use of Group IVA element‐based anodes in commercial LIBs is still a great challenge. Evaluating the electrochemical performance of an anode in a full‐cell configuration is a key step in investigating the possible application of the active material in LIBs. In this regard, the recent progress and important approaches to overcoming and alleviating the drawbacks of Group IVA element‐based anode materials are reviewed, such as the severe volume variations during cycling and the relatively brittle electrode/electrolyte interface in full‐cell LIBs. Finally, perspectives and future challenges in achieving the practical application of Group IVA element‐based anodes in high‐energy and high‐power‐density LIB systems are proposed.
Polyhedral‐Like NiMn‐Layered Double Hydroxide/Porous Carbon as Electrode for Enhanced Electrochemical Performance Supercapacitors
Authors: Yu Mei , Liu Ruili , Liu Jianhua , Li Songmei , Ma Yuxiao 
Published: October 2017

AbstractPolyhedral‐like NiMn‐layered double hydroxide/porous carbon (NiMn‐LDH/PC‐x) composites are successfully synthesized by hydrothermal method (x = 1, 2 means different mass percent of porous carbon (PC) in composites). The NiMn‐LDH/PC‐1 composites possess specific capacitance 1634 F g−1 at a current density of 1 A g−1, and it is much better than that of pure LDH (1095 F g−1 at 1 A g−1). Besides, the sample can retain 84.58% of original capacitance after 3000 cycles at 15 A g−1. An asymmetric supercapacitor with NiMn‐LDH/PC‐1 as anode and activated carbon as cathode is fabricated, and the supercapacitor can achieve an energy density of 18.60 Wh kg−1 at a power density of 225.03 W kg−1. The enhanced electrochemical performance attributes to the high faradaic pseudocapacitance of NiMn‐LDH, the introduction of PC, and the 3D porous structure of LDH/PC‐1 composites. The introduction of PC hinders serious agglomeration of LDH and further accelerates ions transport. The encouraging results indicate that these materials are one of the most potential candidates for energy storage devices.
Automated conflict detection between medical care pathways
Authors: Weber Philip , Filho João Bosco Ferreira , Bordbar Behzad , Lee Mark , Litchfield Ian , Backman Ruth 
Published: October 2017

AbstractClinical guidelines specify sequences of steps (care pathways) to treat patients with single conditions. Increasingly, many patients exhibit “multimorbidity,” several chronic conditions needing concurrent treatment. However, applying multiple guidelines in parallel can lead to conflicts, eg, between prescribed drugs, lifestyle intervention recommendations, or treatment schedules. In computer science, process languages used to design and reason about software development and business process management are similar to clinical pathways. Using formal model transformation, composition and analysis methods, models can be combined and conflicts detected and resolved. We propose BPMN+V, a data‐driven formal model for clinical care pathways, as an extension of Business Process Model and Notation. We describe a method for conflict detection using a transformation of BPMN+V to Coloured Petri Nets and a state‐space method for detection of conflict in composed models. We present results from a case study, showing that common conflicts are successfully detected, and propose extension to a complete framework for efficiently recommending resolutions to medical conflicts in composed care pathway models.
An experimental investigation on the wake interferences among wind turbines sited in aligned and staggered wind farms
Authors: Tian Wei , Ozbay Ahmet , Hu Hui 
Published: October 2017

AbstractAn experimental investigation was conducted for a better understanding of the wake interferences among wind turbines sited in wind farms with different turbine layout designs. Two different types of inflows were generated in an atmospheric boundary layer wind tunnel to simulate the different incoming surface winds over typical onshore and offshore wind farms. In addition to quantifying the power outputs and dynamic wind loads acting on the model turbines, the characteristics of the wake flows inside the wind farms were also examined quantitatively. After adding turbines staggered between the first 2 rows of an aligned wind farm to increase the turbine number density in the wind farm, the added staggered turbines did not show a significant effect on the aeromechanical performance of the downstream turbines for the offshore case. However, for the onshore case, while the upstream staggered turbines have a beneficial effect on the power outputs of the downstream turbines, the fatigue loads acting on the downstream turbines were also found to increase considerably due to the wake effects induced by the upstream turbines. With the same turbine number density and same inflow characteristics, the wind turbines were found to be able to generate much more power when they are arranged in a staggered layout than those in an aligned layout. In addition, the characteristics of the dynamic wind loads acting on the wind turbines sited in the aligned layout, including the fluctuation amplitudes and power spectrum, were found to be significantly different from those with staggered layout.
Modern and classical k‐sample omnibus tests
Authors: Chen Su , Pokojovy Michael 
Published: October 2017

The ‘k‐sample problem’ aims to detect statistical differences among multiple populations. A statistical test, capable of detecting any departure from the null hypothesis of ‘statistical equality’ such as the equality in distribution, is typically referred to as an ‘omnibus test.’ A short overview of historic developments and a detailed discussion of the more prominent state‐of‐the‐art techniques are presented with references to numerous sources and studies. Both classical and modern omnibus tests are systematically categorized in terms of seminal probabilistic and statistical concepts into tests that are based upon the empirical distribution, characteristic or kernel density function, etc. To demonstrate the strengths and weaknesses of each particular approach with regard to its statistical performance, applicability, computational complexity, and parameter tuning, eight representatively selected omnibus tests (along with the Kruskal–Wallis test) are numerically implemented and compared under various ‘archetypal’ scenarios. Recommendations are made accordingly along with a discussion of challenges and potential future research directions for this problem. WIREs Comput Stat 2018, 10:e1418. doi: 10.1002/wics.1418This article is categorized under:

Statistical Models > Linear Models
Statistical and Graphical Methods of Data Analysis > Nonparametric Methods
A Nationwide Population‐Based Study on the Survival of Patients with Pancreatic Neuroendocrine Tumors in The Netherlands
Authors: Genc C. G. , Klümpen H. J. , van Oijen M. G. H. , van Eijck C. H. J. , Nieveen van Dijkum E. J. M. 
Published: October 2017

AbstractBackgroundLarge population‐based studies give insight into the prognosis and treatment outcomes of patients with pancreatic neuroendocrine tumors (pNETs). Therefore, we provide an overview of the treatment and related survival of pNET in the Netherlands.MethodsPatients diagnosed with pNET between 2008 and 2013 from the Netherlands Cancer Registry were included. Patient, tumors and treatment characteristics were reported. Survival analyses with log‐rank testing were performed to compare survival.ResultsIn total, 611 patients were included. Median follow‐up was 25.7 months, and all‐cause mortality was 42%. Higher tumor grade and TNM stage were significantly associated with worse survival in both the overall and metastasized population. The effect of distant metastases on survival was more significant in lower tumor stages (T1–3 p < 0.05, T4 p = 0.074). Resection of the primary tumor was performed in 255 (42%) patients. Patients who underwent surgery had the highest 5‐year survival (86%) compared to PRRT (33%), chemotherapy (21%), targeted therapy and somatostatin analogs (24%) (all p < 0.001). Patients with T1M0 tumors (n = 115) showed favorable survival after surgical resection (N = 95) compared to no therapy (N = 20, p = 0.008). Resection also improved survival significantly in patients with metastases compared to other treatments (all p > 0.05). Without surgery, PRRT showed the best survival curves in patients with distant metastases. Grade 3 tumors and surgical resection were independently associated with survival (HR 7.23 and 0.12, respectively).ConclusionSurgical resection shows favorable outcome for all pNET tumors, including indolent tumors and tumors with distant metastases. Prospective trials should be initiated to confirm these results.
The Depth from the Skin to the Celiac Artery Measured Using Computed Tomography is a Simple Predictive Index for Longer Operation Time During Laparoscopic Distal Gastrectomy
Authors: Goto Hironobu , Kanaji Shingo , Yasuda Takashi , Oshikiri Taro , Yamamoto Masashi , Matsuda Takeru , Nakamura Tetsu , Suzuki Satoshi , Fujino Yasuhiro , Tominaga Masahiro , Kakeji Yoshihiro 
Published: October 2017

AbstractBackgroundBody mass index (BMI) is commonly used to classify obesity. However, BMI does not always reflect the degree of visceral fat. This study aimed to clarify the usefulness of measuring the depth from the skin to the celiac artery using computed tomography, as a simple predictive index for longer operation time during laparoscopic distal gastrectomy (LDG).MethodsFrom September 2012 to March 2016, 66 patients who underwent LDG with D1+ lymph node dissection were included. The depth from the skin to the bifurcation of the celiac artery was defined as ‘skin‐to‐celiac artery distance (SCD).’ The patients were divided into two groups based on the median operation time. [Time scenarios from omentum incision to specimen extirpation and infrapyloric and suprapancreatic lymph node dissections (I‐LND, S‐LND) were assessed.] The factors eliciting a longer operation time than the median operation time were investigated.ResultsFrom omentum incision to specimen extirpation, BMI, thickness of subcutaneous fat (TSF), and SCD (P = 0.002, P = 0.039, P < 0.001) were the factors associated with longer operation time. Furthermore, BMI, TSF, and SCD in I‐LND (P = 0.008, P = 0.022, P < 0.001) and BMI and SCD in S‐LND (P < 0.001, P < 0.001) were associated with longer operation time. The multivariate analysis showed that a long SCD was the only significant independent factor to predict an operation time longer than the median operation time (P = 0.001). The best cutoff level of SCD calculated using the receiver operating characteristic curve was 88 mm.ConclusionsThis study demonstrated that SCD is a simple predictive index for longer operation time during LDG.
Basin‐wide impacts of climate change on ecosystem services in the Lower Mekong Basin
Authors: Trisurat Yongyut , Aekakkararungroj Aekkapol , Ma Hwan‐ok , Johnston John M. 
Published: October 2017

AbstractWater resources support more than 60 million people in the Lower Mekong Basin (LMB) and are important for food security—especially rice production—and economic security. This study aims to quantify water yield under near‐ and long‐term climate scenarios and assess the potential impacts on rice cultivation. The InVEST model (Integrated Valuation of Ecosystem Services and Tradeoffs) forecasted water yield, and land evaluation was used to delineate suitability classes. Pattern‐downscaled climate data were specially generated for the LMB. Predicted annual water yields for 2030 and 2060, derived from a drier overall scenario in combination with medium and high greenhouse gas emissions, indicated a reduction of 9–24% from baseline (average 1986–2005) runoff. In contrast, increased seasonality and wetter rainfall scenarios increased annual runoff by 6–26%. Extreme drought decreased suitability of transplanted rice cultivation by 3%, and rice production would be reduced by 4.2 and 4%, with and without irrigation projects, relative to baseline. Greatest rice reduction was predicted for Thailand, followed by Lao PDR and Cambodia, and was stable for Vietnam. Rice production in the LMB appears sufficient to feed the LMB population in 2030, while rice production in Lao PDR and Cambodia are not expected to be sufficient for domestic consumption, largely due to steep topography and sandy soils as well as drought. Four adaptation measures to minimize climate impacts (i.e., irrigation, changing the planting calendar, new rice varieties, and alternative crops) are discussed.
The Influence of Grain Structure on Intermetallic Compound Layer Growth Rates in Fe-Al Dissimilar Welds
Authors: Xu Lei , Robson Joseph D. , Wang Li , Prangnell Philip B. 
Published: October 2017

Abstract
The thickness of the intermetallic compound (IMC) layer that forms when aluminum is welded to steel is critical in determining the properties of the dissimilar joints. The IMC reaction layer typically consists of two phases (η and θ) and many attempts have been made to determine the apparent activation energy for its growth, an essential parameter in developing any predictive model for layer thickness. However, even with alloys of similar composition, there is no agreement of the correct value of this activation energy. In the present work, the IMC layer growth has been characterized in detail for AA6111 aluminum to DC04 steel couples under isothermal annealing conditions. The samples were initially lightly ultrasonically welded to produce a metallic bond, and the structure and thickness of the layer were then characterized in detail, including tracking the evolution of composition and grain size in the IMC phases. A model developed previously for Al-Mg dissimilar welds was adapted to predict the coupled growth of the two phases in the layer, whilst accounting explicitly for grain boundary and lattice diffusion, and considering the influence of grain growth. It has been shown that the intermetallic layer has a submicron grain size, and grain boundary diffusion as well as grain growth plays a critical role in determining the thickening rate for both phases. The model was used to demonstrate how this explains the wide scatter in the apparent activation energies previously reported. From this, process maps were developed that show the relative importance of each diffusion path to layer growth as a function of temperature and time.
Thermodynamic Characterization of Temperature‐ and Composition‐Dependent Mixed Micelle Formation in Aqueous Medium
Authors: Juhász Ádám , Tabajdi Réka , Dékány Imre , Csapó Edit 
Published: October 2017

AbstractThis article provides a detailed description of micellization of a binary nonionic surfactant system (Lutensol AP9 and AP20) at different compositions and temperatures in an aqueous medium. Critical micelle concentrations of the individual components (CMCi) and the mixed surfactants (CMCm) were determined via surface tension measurements in the temperature range of 288.15–318.15 K. On the basis of the magnitude and temperature dependence of CMC values, changes in the Gibbs energy (ΔmicG), enthalpy (ΔmicH), and entropy (ΔmicS) of micellization were evaluated. At 288.15 K the thermodynamic parameters were confirmed by isotherm titration calorimetry (ITC). Regular solution theory (RST) was used to estimate the compositions of the mixed micelles (XM) and molecular interaction parameters (βM) for all molar ratios and temperatures. The results of evaluations based on the closed association model and RST were compared.