bluuebunny/crossref_metadata_2025_split huggingface dataset:
Variation of protein molecular weight distribution parameters and their correlations with gluten and mixing characteristics for winter waxy wheat
Authors: Ohm Jae‐Bom , Dykes Linda , Graybosch Robert A. 
Published: December 2018

AbstractBackground and objectivesLittle data have been reported on protein molecular weight distribution (MWD) for waxy (amylose‐free) wheat (Triticum aestivum L.) despite their importance in quality. This research aimed to investigate variations of protein MWD parameters and their associations with gluten strength in winter waxy wheat.FindingsWinter waxy wheat genotypes varied significantly (p < 0.001) for most protein MWD parameters including SDS‐extractable polymeric protein (EPP) and unextractable polymeric protein (UPP) fractions, which are major components of gluten proteins. Allelic variation of HMW glutenin subunits had significant influence on variations of EPP and UPP in waxy genotypes. Negative correlations for EPP and positive correlations for UPP were observed with mixograph peak time and gluten index for wheat genotypes. In particular, highly significant (p < 0.001) correlations were observed between mixograph peak time and the proportion of EPP in total protein for waxy genotypes.ConclusionsWinter waxy wheat genotypes showed significant variations for EPP and UPP parameters, which were associated with variation of gluten strength.Significance and noveltyThis research identified variation of protein MWD parameters and their associations with gluten strength. The information should be valuable in segregating winter waxy wheat genotypes that have favorable gluten quality as well as unique waxy starch.
Chalcogen Bonding “2S–2N Squares” versus Competing Interactions: Exploring the Recognition Properties of Sulfur
Authors: Ams Mark R. , Trapp Nils , Schwab Anatol , Milić Jovana V. , Diederich François 
Published: December 2018

AbstractChalcogen bonding (CB) is the focus of increased attention for its applications in medicinal chemistry, materials science, and crystal engineering. However, the origin of sulfur's recognition properties remains controversial, and experimental evidence for supporting theories is still emerging. Here, a comprehensive evaluation of sulfur CB interactions is presented by investigating 2,1,3‐benzothiadiazole X‐ray crystallographic structures gathered from the Cambridge Structure Database (CSD), Protein Data Bank (PDB), and own laboratory findings. Through the systematic analysis of substituent effects on a subset library of over thirty benzothiadiazole derivatives, the competing interactions have been categorized into four main classes, namely 2S–2N CB square, halogen bonding (XB), S⋅⋅⋅S, and hydrogen‐bonding (HB). A geometric model is employed to characterize the 2S–2N CB square motifs and discuss the role of electrostatic, dipole, and orbital contributions toward the interaction.
A New Drug Delivery System Based on Tauroursodeoxycholic Acid and PEDOT
Authors: Carli Stefano , Fioravanti Giulia , Armirotti Andrea , Ciarpella Francesca , Prato Mirko , Ottonello Giuliana , Salerno Marco , Scarpellini Alice , Perrone Daniela , Marchesi Elena , Ricci Davide , Fadiga Luciano 
Published: December 2018

AbstractLocalized drug delivery represents one of the most challenging uses of systems based on conductive polymer films. Typically, anionic drugs are incorporated within conductive polymers through electrostatic interaction with the positively charged polymer. Following this approach, the synthetic glucocorticoid dexamethasone phosphate is often delivered from neural probes to reduce the inflammation of the surrounding tissue. In light of the recent literature on the neuroprotective and anti‐inflammatory properties of tauroursodeoxycholic acid (TUDCA), for the first time, this natural bile acid was incorporated within poly(3,4‐ethylenedioxythiophene) (PEDOT). The new material, PEDOT—TUDCA, efficiently promoted an electrochemically controlled delivery of the drug, while preserving optimal electrochemical properties. Moreover, the low cytotoxicity observed with viability assays, makes PEDOT–TUDCA a good candidate for prolonging the time span of chronic neural recording brain implants.
Bimetallic Covalent Organic Frameworks for Constructing Multifunctional Electrocatalyst
Authors: Wu Dekun , Xu Qing , Qian Jing , Li Xiaopeng , Sun Yuhan 
Published: December 2018

AbstractCovalent organic frameworks (COFs) are a new class of crystalline porous polymers comprised mainly of carbon atoms, and are versatile for the integration of heteroatoms such as B, O, and N into the skeletons. The designable structure and abundant composition render COFs useful as precursors for heteroatom‐doped porous carbons for energy storage and conversion. Herein, we describe a multifunctional electrochemical catalyst obtained through pyrolysis of a bimetallic COF. The catalyst possesses hierarchical pores and abundant iron and cobalt nanoparticles embedded with standing carbon layers. By integrating these features, the catalyst exhibits excellent electrochemical catalytic activity in the oxygen reduction reaction (ORR), with a 50 mV positive half‐wave potential, a higher limited diffusion current density, and a much smaller Tafel slope than a Pt‐C catalyst. Moreover, the catalyst displays superior electrochemical performance toward the hydrogen evolution reaction (HER), with overpotentials of −0.26 V and −0.33 V in acidic and alkaline aqueous solution, respectively, at a current density of 10 mA cm−2. The overpotential in the catalysis of the oxygen evolution reaction (OER) was 1.59 V at the same current density.
Selective Formation of Helical Tetrapyrrin‐Fused Porphyrins by Oxidation of β‐to‐β Linked meso‐Aminoporphyrin Dimers
Authors: Fujimoto Keisuke , Shimizu Daiki , Mori Tadashi , Li Yuanyuan , Zhou Mingbo , Song Jianxin , Osuka Atsuhiro 
Published: December 2018

AbstractOxidation of β‐to‐β directly linked and sulfur‐bridged meso‐amino NiII‐porphyrin dimers with PbO2 gave helical tetrapyrrin (biliverdin analogue)‐fused NiII‐porphyrins. These ring cleaving reactions differ markedly from the previously reported oxidation of a β–β linked NiII‐porphyrin dimer carrying one amino group, which gave an azepine‐fused porphyrin dimer. The tetrapyrrin‐fused NiII‐porphyrins display intense NIR absorption bands at 1200–1400 nm and reversible redox processes because of the highly π‐conjugated networks and rigid structures. These tetrapyrrin‐fused NiII‐porphyrins were separated to stable enantiomers, which showed clear Cotton effects in their CD spectra with Δϵ of 102 order.
Can Synthetic All‐Metal Cluster Compound Support Multifold (π and σ) Aromaticity and d‐Orbital Aromaticity?
Authors: You Xue‐Rui , Zhai Hua‐Jin 
Published: December 2018

Summary of main observation and conclusionThere are active debates on whether the concept of aromaticity should be extended beyond carbon based organic systems. One argument against such extension is that the proposed new aromatic species are not bottleable. We present herein in‐depth chemical bonding analyses of a synthetic, core‐shell, intermetalloid [Pd3Sn8Bi6]4‐cluster. The computational data unravel unprecedented five‐fold (π and σ) aromaticity, including d‐orbital aromaticity. Delocalized electron clouds in this all‐metal system cover the Pd3core, trigonal pyramid Sn4caps, peripheral Bi6ring, and roof‐like Sn2Bi2walls, each following the (4n+ 2) Hückel rule. The present finding is beyond imagination, providing a compelling example that all‐metal aromaticity not only exists in bulk compounds, but also can be in multifold π/σ fashion.
The Role of the Phosphorus Atom in Drug Design
Authors: Rodriguez Juan B. , Gallo‐Rodriguez Carola 
Published: December 2018

AbstractAlthough the phosphorus atom is found in a variety of oxidation states, most of the phosphorus‐containing molecules of pharmacological importance possess phosphorus in the form of phosphonate or phosphinate functional groups, or in a major oxidation state as a phosphate group. The most common occurrence of phosphorus in drugs is either in prodrugs or in compounds for which the phosphorus atom plays a role in the biological activity, such as in modified nucleotides, in metabolically stable analogues of metabolites bearing phosphate groups, and as bioisosteric analogues of carboxyl groups.
Smoking, age, nodal disease, T stage, p16 status, and risk of distant metastases in patients with squamous cell cancer of the oropharynx
Authors: Beitler Jonathan J. , Switchenko Jeffrey M. , Dignam James J. , McDonald Mark W. , Saba Nabil F. , Shin Dong M. , Magliocca Kelly R. , Cassidy Richard J. , El‐Deiry Mark W. , Patel Mihir R. , Steuer Conor E. , Xiao Canhua , Hudgins Patricia A. , Aiken Ashley H. , Curran Walter J. , Le Quynh‐Thu 
Published: December 2018

BackgroundWith an expectation of excellent locoregional control, ongoing efforts to de‐intensify therapy for patients with human papillomavirus–associated squamous cell oropharyngeal cancer necessitate a better understanding of the metastatic risk for patients with this disease. The objective of this study was to determine what factors affect the risk of metastases in patients with squamous cell cancers of the oropharynx.MethodsUnder a shared use agreement, 547 patients from Radiation Therapy Oncology Group 0129 and 0522 with nonmetastatic oropharyngeal squamous cell cancers who had a known p16 status and smoking status were analyzed to assess the association of clinical features with the development of distant metastases. The analyzed factors included the p16 status, sex, T stage, N stage, age, and smoking history.ResultsA multivariate analysis of 547 patients with a median follow‐up of 4.8 years revealed that an age ≥ 50 years (hazard ratio [HR], 3.28; P = .003), smoking for more than 0 pack‐years (HR, 3.09; P < .001), N3 disease (HR, 2.64; P < .001), T4 disease (HR, 1.63; P = .030), and a negative p16 status (HR, 1.60; P = .044) were all factors associated with an increased risk of distant disease.ConclusionsAge, smoking, N3 disease, T4 disease, and a negative p16 status were associated with the development of distant metastases in patients with squamous cell cancers of the oropharynx treated definitively with concurrent chemoradiation.
Environmental, social, and governance and company profitability: Are financial intermediaries different?
Authors: Brogi Marina , Lagasio Valentina 
Published: December 2018

AbstractThis paper investigates the association between environmental, social, and governance (ESG) disclosure and company profitability, as measured by return on assets (ROA). We first assess a method to indexing the ESG score of a large sample of U.S. listed companies based on MSCI ESG KLD STATS data from 2000 to 2016. The statistical model is run on 17,358 observations and studies the association of ROA and the three different dimensions of ESG score. Significant differences between industrial firms and financial intermediaries emerge. We find a significant and positive association between ESG and that the environmental awareness in banks is strongly related to profitability, providing implications for policy makers and policy takers.
National institutions, stakeholder engagement, and firms' environmental, social, and governance performance
Authors: Ortas Eduardo , Gallego‐Álvarez Isabel , Álvarez Igor 
Published: December 2018

AbstractThis paper studies the influence of different national institutions on corporate environmental, social, and governance (ESG) performance through the varieties of institutional systems approach. This research complements previous research that used traditional approaches such as the national business systems and the varieties of capitalism, because it considers companies in understudied economies in Asia, Africa, Eastern Europe, the Middle East, and Latin America. To that aim, a dataset of 4,751 firms within 52 countries is examined through a multilevel model, which allows establishing three levels of analysis: (a) yearly observations of a firm ESG performance, (b) the companies, and (c) the countries. This technique is useful to address the nested nature of firms' ESG performance within higher level institutional contexts. The results identify which specific national institutions enhance/restrict companies' ESG performance. This provides interesting implications because firms' ESG represent most of the companies' contributions to environmental preservation, social well‐being, and community development.
The effects of female executives on corporate philanthropy in China
Authors: Wu Cisheng , Guang Hui , Xu Jing , Wang Sijia 
Published: December 2018

AbstractThis paper investigates the relationship between female executives and corporate philanthropy in China with a sample of 1,944 listed A‐share Chinese companies selected from the Shanghai and Shenzhen security markets from 2014 to 2016. The results show that regarding corporate philanthropic behavior, existing female executives or top managers (chairperson or CEO) who are female will stimulate philanthropy. In the scale of corporate philanthropy, existing female executives have no significant effect on the scale of philanthropy, whereas the proportion of female executives has a promoting effect on the scale of philanthropy. In addition, the nature of the actual controller of corporations and the degree of industry competition influence female executives' tendency to promote corporate philanthropy. Existing female executives in nonstate‐controlled corporations are more likely to promote philanthropy than those in state‐controlled corporations. Existing female executives in corporations facing a normal degree of industry competition promote philanthropy more than those in corporations with a strong or weak degree of industry competition.
Sustainable Hydrocarbon Oligomer Solvent Systems for Sequestration of Trace Organics from Water
Authors: Malinski Thomas J. , Bazzi Hassan S. , Bergbreiter David E. 
Published: December 2018

AbstractLow‐viscosity poly(α‐olefin)s (PAOs) either alone or with functional hydrocarbon oligomer cosolvents are nontoxic, nonvolatile, recyclable solvent systems that effectively and efficiently sequester trace amounts of nonpolar organic compounds such as benzene and halogenated organics from water. More polar compounds including perfluorooctanoic acid and nitrobenzene or water‐miscible compounds such as THF and triethylamine can also be sequestered if the PAO phase contains an H‐bonding PAO‐anchored cosolvent.
High‐Parameter Mass Cytometry Evaluation of Relapsed/Refractory Multiple Myeloma Patients Treated with Daratumumab Demonstrates Immune Modulation as a Novel Mechanism of Action
Authors: Adams Homer C. , Stevenaert Frederik , Krejcik Jakub , Van der Borght Koen , Smets Tina , Bald Jaime , Abraham Yann , Ceulemans Hugo , Chiu Christopher , Vanhoof Greet , Usmani Saad Z. , Plesner Torben , Lonial Sagar , Nijhof Inger , Lokhorst Henk M. , Mutis Tuna , van de Donk Niels W.C.J. , Sasser Amy Kate , Casneuf Tineke 
Published: December 2018

AbstractDaratumumab is a CD38‐targeted human monoclonal antibody with direct anti‐myeloma cell mechanisms of action. Flow cytometry in relapsed and/or refractory multiple myeloma (RRMM) patients treated with daratumumab revealed cytotoxic T‐cell expansion and reduction of immune‐suppressive populations, suggesting immune modulation as an additional mechanism of action. Here, we performed an in‐depth analysis of the effects of daratumumab on immune‐cell subpopulations using high‐dimensional mass cytometry. Whole‐blood and bone‐marrow baseline and on‐treatment samples from RRMM patients who participated in daratumumab monotherapy studies (SIRIUS and GEN501) were evaluated with high‐throughput immunophenotyping. In daratumumab‐treated patients, the intensity of CD38 marker expression decreased on many immune cells in SIRIUS whole‐blood samples. Natural killer (NK) cells were depleted with daratumumab, with remaining NK cells showing increased CD69 and CD127, decreased CD45RA, and trends for increased CD25, CD27, and CD137 and decreased granzyme B. Immune‐suppressive population depletion paralleled previous findings, and a newly observed reduction in CD38+basophils was seen in patients who received monotherapy. After 2 months of daratumumab, the T‐cell population in whole‐blood samples from responders shifted to a CD8 prevalence with higher granzyme B positivity (P= 0.017), suggesting increased killing capacity and supporting monotherapy‐induced CD8+T‐cell activation. High‐throughput cytometry immune profiling confirms and builds upon previous flow cytometry data, including comparable CD38 marker intensity on plasma cells, NK cells, monocytes, and B/T cells. Interestingly, a shift toward cytolytic granzyme B+T cells was also observed and supports adaptive responses in patients that may contribute to depth of response. © 2018 The Authors. Cytometry Part A published by Wiley Periodicals, Inc. on behalf of International Society for Advancement of Cytometry.
Assessing regional drought impacts on vegetation and evapotranspiration: a case study in Guanacaste, Costa Rica
Authors: Cooley Savannah S. , Williams Christopher A. , Fisher Joshua B. , Halverson Gregory H. , Perret Johan , Lee Christine M. 
Published: December 2018

AbstractThis research investigates ecological responses to drought by developing a conceptual framework of vegetation response and investigating how multiple measures of drought can improve regional drought monitoring. We apply this approach to a case study of a recent drought in Guanacaste, Costa Rica. First, we assess drought severity with the Standard Precipitation Index (SPI) based on a 64‐yr precipitation record derived from a combination of Global Precipitation Climatology Center data and satellite observations from Tropical Rainfall Measuring Mission and Global Precipitation Measurement. Then, we examine spatial patterns of precipitation, vegetation greenness, evapotranspiration (ET), potential evapotranspiration (PET), and evaporative stress index (ESI) during the drought years of 2013, 2014, and 2015 relative to a baseline period (2002–2012). We compute wet season (May–October) anomalies for precipitation at 0.25° spatial resolution, normalized difference vegetation index (NDVI) at 30‐m spatial resolution, and ET, PET and ESI derived with the Priestley‐Taylor Jet Propulsion Laboratory (PT‐JPL) model at 1‐km spatial resolution. We assess patterns of landscape response across years and land cover types including three kinds of forest (deciduous, old growth, and secondary), grassland, and cropland. Results show that rainfall in Guanacaste reached an all‐time low in 2015 over a 64‐yr record (wet season SPI = −3.46), resulting in NDVI declines. However, ET and ESI did not show significant anomalies relative to a baseline, drought‐free period. Forests in the region exhibited lower water stress compared to grasslands and had smaller declines, and even some increases, in NDVI and ET during the drought period. This work highlights the value of using multiple measures to assess ecosystem responses to drought. It also suggests that agricultural land management has an opportunity to integrate these findings by emulating some of the characteristics of drought‐resilient ecosystems in managed systems.
Partitioning genetic and species diversity refines our understanding of species–genetic diversity relationships
Authors: Pfeiffer Vera Wilder , Ford Brett Michael , Housset Johann , McCombs Audrey , Blanco‐Pastor José Luis , Gouin Nicolas , Manel Stéphanie , Bertin Angéline 
Published: December 2018

AbstractDisentangling the origin of species–genetic diversity correlations (SGDCs) is a challenging task that provides insight into the way that neutral and adaptive processes influence diversity at multiple levels. Genetic and species diversity are comprised by components that respond differently to the same ecological processes. Thus, it can be useful to partition species and genetic diversity into their different components to infer the mechanisms behind SGDCs. In this study, we applied such an approach using a high‐elevation Andean wetland system, where previous evidence identified neutral processes as major determinants of the strong and positive covariation between plant species richness and AFLP genetic diversity of the common sedge Carex gayana. To tease apart putative neutral and non‐neutral genetic variation of C. gayana, we identified loci putatively under selection from a dataset of 1,709 SNPs produced using restriction site‐associated DNA sequencing (RAD‐seq). Significant and positive relationships between local estimates of genetic and species diversities (α‐SGDCs) were only found with the putatively neutral loci datasets and with species richness, confirming that neutral processes were primarily driving the correlations and that the involved processes differentially influenced local species diversity components (i.e., richness and evenness). In contrast, SGDCs based on genetic and community dissimilarities (β‐SGDCs) were only significant with the putative non‐neutral datasets. This suggests that selective processes influencing C. gayana genetic diversity were involved in the detected correlations. Together, our results demonstrate that analyzing distinct components of genetic and species diversity simultaneously is useful to determine the mechanisms behind species–genetic diversity relationships.
Natal habitat preference induction in large mammals—Like mother, like child?
Authors: Larue Benjamin , Côté Steeve D. , St‐Laurent Martin‐Hugues , Dussault Christian , Leblond Mathieu 
Published: December 2018

AbstractHabitat selection has received considerable attention from ecologists during the last decades, yet the underlying forces shaping individual differences in habitat selection are poorly documented. Some of these differences could be explained by the early experience of individuals in their natal habitat. By selecting habitat attributes like those encountered early in life, individuals could improve resource acquisition, survival, and ultimately fitness. This behavior, known as natal habitat preference induction (NHPI), could be particularly common in large mammals, because offspring generally stay with their mother for an extended period. We used three complementary approaches to assess NHPI in a marked population of woodland caribou (Rangifer tarandus caribou): (a) population‐based resource selection functions (RSFs), (b) individual‐based RSFs, and (c) behavioral repeatability analyses. All approaches compared the behavior of calves in their natal range to their behavior as independent subadults during the snow‐covered (Dec–Apr) and snow‐free (May–Nov) seasons. Using RSFs, we found that the magnitude of habitat selection between calf and subadult stages differed for most covariates, yet the signs of statistically significant effects (selection vs. avoidance) were generally the same. We also found that some habitat selection tactics were highly repeatable across life stages. Notably, caribou responses to habitat disturbances were highly repeatable year‐round, meaning that different individuals reacted differently, but consistently, to disturbances. This study highlights the potential role of natal habitat preference induction in shaping individual differences in habitat selection in large mammals and provides valuable knowledge for the management and conservation of a threatened species.