bluuebunny/crossref_metadata_2025_split huggingface dataset:
The left digit effect in a complex judgment task: Evaluating hypothetical college applicants
Authors: Patalano Andrea L. , Williams Katherine , Weeks Gillian , Kayton Kelsey , Barth Hilary 
Published: March 2021

AbstractA left digit effect has been broadly observed across judgment and decision‐making contexts ranging from product evaluation to medical treatment decisions to number line estimation. For example, $3.00 is judged to be a much greater cost than $2.99, and “801” is estimated strikingly too far to the right of “798” on a number line. Although the consequences of the effects for judgment and decision behavior have been documented, the sources of the effects are not well established. The goal of the current work is to extend investigations of the left digit effect to a new complex judgment activity and to assess whether the magnitude of the effect at the individual level can be predicted from performance on a simpler number skills task on which the left digit effect has also recently been observed. In three experiments (N = 434), adults completed a judgment task in which they rated the strength of hypothetical applicants for college admission and a self‐paced number line estimation task. In all experiments, a small or medium left digit effect was found in the college admissions task, and a large effect was found in number line estimation. Individual‐level variation was observed, but there was no relationship between the magnitudes of the effects in the two tasks. These findings provide evidence of a left digit effect in a novel multiattribute judgment task but offer no evidence that such performance can be predicted from a simple number skills task such as number line estimation.
Entorhinal cortex and parahippocampus volume reductions impact olfactory decline in aged subjects
Authors: Iizuka Natsuko , Masaoka Yuri , Kubota Satomi , Sugiyama Haruko , Yoshida Masaki , Yoshikawa Akira , Koiwa Nobuyoshi , Honma Motoyasu , Watanabe Keiko , Kamijo Shotaro , Kamimura Sawa , Ida Masahiro , Ono Kenjiro , Izumizaki Masahiko 
Published: March 2021

AbstractIntroductionPathological abnormalities first appear in the medial temporal regions including entorhinal cortex and parahippocampus in patients with Alzheimer's disease. Previous studies showed that olfactory decline in elderly subjects was associated with volume reductions in the left hippocampus and left parahippocampus without cognitive impairment. The aim of this study is to investigate the link between olfaction and volume reductions in the medial temporal regions including the parahippocampus, entorhinal cortex, and hippocampal subfields.Method27 elderly subjects and 27 young controls were measured olfaction acuity, cognitive function, and structural magnetic resonance imaging. Image processing and gray matter volumetric segmentation were performed with FreeSurfer. Volume data were analyzed with SPSS Statistics software.ResultsInteresting results of this study were that volume reduction in the entorhinal cortex was not directly linked with declining olfactory ability. Volume reduction in the left entorhinal cortex was correlated with volume reduction in the left parahippocampus and dentate gyrus. However, left parahippocampus volume reduction had the greatest impact on olfactory decline, and the entorhinal cortex and dentate gyrus might additionally contribute to olfactory decline.ConclusionOur results indicate that olfactory decline may be directly reflected in the medial temporal regions as reduced parahippocampus volumes, rather than as morphological changes in the entorhinal cortex and hippocampus. The parahippocampus may play an important role in the association between memory retrieval and olfactory identification.
Diversity and equity in Ibero‐American universities: An ecological analysis and proposals for action‐research from psychology
Authors: Garrido Rocío , Prado Marco Aurélio Máximo , Chaparro Reynel Alexander 
Published: March 2021

AbstractDespite the numerous advances towards the recognition of LGBT rights worldwide, real equity has not yet been achieved. It is therefore necessary to take into consideration not only the socio‐political context but also the concrete practices that have been developed in specific settings. The university represents an important scene, which generates knowledge and development in societies. This study, from a Liberating Community Psychology approach, analysed five good practices related to LGBT issues and psychology placed in four countries with different socio‐cultural backgrounds: Brazil, Uruguay, Colombia and Spain. The results from an ecological SWOT analysis—based on interviews and questionnaires with diverse stakeholders and experts—showed the internal weaknesses (e.g., lack of resources) and strengths (e.g., high promoters' commitment, students acceptance) of the good practices, as well as their external opportunities and threats in the academic (e.g., social status of the university, curricula gaps), but also in the socio‐political context (e.g., protecting policies, attacks from conservative sectors). Additionally, action‐research proposals to improve equity in/from universities were suggested by stakeholders and prioritized by experts through a Delphi panel. The main theoretical and practical contributions are discussed. Please refer to the Supplementary Material section to find this article's Community and Social Impact Statement.
Synthesis of Uniform Gold Nanorods with Large Width to Realize Ultralow SERS Detection
Authors: He Hongpeng , Wu Chenshuo , Bi Cuixia , Song Yahui , Wang Dayang , Xia Haibing 
Published: March 2021

AbstractIn this work, we successfully demonstrate high‐yield synthesis of high‐quality gold nanorods (Au NRs) with width ranging from 6.5 nm to 175 nm by introducing heptanol molecules as secondary templating agents during cetyltrimethylammonium bromide‐templated, seeded growth method. The results show that an appropriate concentration of heptanol molecules not only alter the micellization behavior of CTAB in water, but also help silver ions impact the symmetry‐breaking efficiency of additional Au−NP seeds in addition to enhancing the utilization of gold precursors. Moreover, the generality and versatility of the present strategy for synthesis of Au NRs with flexible controlled dimensions are further demonstrated by successful synthesis of Au NRs with the assistance of other fatty alcohols with properly long alkyl chains. Furthermore, when arrays of vertically aligned Au NRs with large width (AVA−Au120×90 NRs) are used as SERS substrates, they can achieve the ultralow limit of detection for crystal violet (10−16 M) with good reliability and reproducibility, and the rapid detection and identification of residual harmful substances.
Orbital‐Free Quantum Crystallographic View on Noncovalent Bonding: Insights into Hydrogen Bonds, π⋅⋅⋅π and Reverse Electron Lone Pair⋅⋅⋅π Interactions
Authors: Shteingolts Sergey A. , Stash Adam I. , Tsirelson Vladimir G. , Fayzullin Robert R. 
Published: March 2021

AbstractA detailed analysis of a complete set of the local potentials that appear in the Euler equation for electron density is carried out for noncovalent interactions in the crystal of a uracil derivative using experimental X‐ray charge density. The interplay between the quantum theory of atoms in molecules and crystals and the local potentials and corresponding inner‐crystal electronic forces of electrostatic and kinetic origin is explored. Partitioning of crystal space into atomic basins and atomic‐like potential basins led us to the definite description of interatomic interaction and charge transfer. Novel physically grounded bonding descriptors derived within the orbital‐free quantum crystallography provided the detailed examination of π‐stacking and intricate C=O⋅⋅⋅π interactions and nonclassical hydrogen bonds present in the crystal. The donor‐acceptor character of these interactions is revealed by analysis of Pauli and von Weizsäcker potentials together with well‐known functions, e. g., deformation electron density and electron localization function. In this way, our analysis throws light on aspects of these closed‐shell interactions hitherto hidden from the description.
Molecular Tools for the Study of ADP‐Ribosylation: A Unified and Versatile Method to Synthesise Native Mono‐ADP‐Ribosylated Peptides
Authors: Voorneveld Jim , Rack Johannes Gregor Matthias , van Gijlswijk Luke , Meeuwenoord Nico J. , Liu Qiang , Overkleeft Herman S. , van der Marel Gijsbert A. , Ahel Ivan , Filippov Dmitri V. 
Published: March 2021

AbstractADP‐ribosylation (ADPr), as a post‐translational modification, plays a crucial role in DNA‐repair, immunity and many other cellular and physiological processes. Serine is the main acceptor for ADPr in DNA damage response, whereas the physiological impact of less common ADPr‐modifications of cysteine and threonine side chains is less clear. Generally, gaining molecular insights into ADPr recognition and turn‐over is hampered by the availability of homogeneous, ADP‐ribosylated material, such as mono‐ADP‐ribosylated (MARylated) peptides. Here, a new and efficient solid‐phase strategy for the synthesis of Ser‐, Thr‐ and Cys‐MARylated peptides is described. ADP‐ribosylated cysteine, apart from being a native post‐translational modification in its own right, proved to be suitable as a stabile bioisostere for ADP‐ribosylated serine making it a useful tool to further biochemical research on serine ADP‐ribosylation. In addition, it was discovered that the Streptococcus pyogenes encoded protein, SpyMacroD, acts as a Cys‐(ADP‐ribosyl) hydrolase.
Azide‐Functionalized Derivatives of the Virulence‐Associated Sugar Pseudaminic Acid: Chiral Pool Synthesis and Labeling of Bacteria
Authors: Vibhute Amol M. , Tamai Hideki , Logviniuk Dana , Jones Peter G. , Fridman Micha , Werz Daniel B. 
Published: March 2021

AbstractPseudaminic acid (Pse) is a significant prokaryotic monosaccharide found in important Gram‐negative and Gram‐positive bacteria. This unique sugar serves as a component of cell‐surface‐associated glycans or glycoproteins and is associated with their virulence. We report the synthesis of azidoacetamido‐functionalized Pse derivatives as part of a search for Pse‐derived metabolic labeling reagents. The synthesis was initiated with d‐glucose (Glc), which served as a cost‐effective chiral pool starting material. Key synthetic steps involve the conversion of C1 of Glc into the terminal methyl group of Pse, and inverting deoxyaminations at C3 and C5 of Glc followed by backbone elongation with a three‐carbon unit using the Barbier reaction. Metabolic labeling experiments revealed that, of the four Pse derivatives, ester‐protected C5 azidoacetamido‐Pse successfully labeled cells of Pse‐expressing Gram‐positive and Gram‐negative strains. No labeling was observed in cells of non‐Pse‐expressing strains. The ester‐protected and C5 azidoacetamido‐functionalized Pse is thus a useful reagent for the identification of bacteria expressing this unique virulence‐associated nonulosonic acid.
Interconnectivity between Surface Reactivity and Self‐Assembly of Kemp Elimination Catalyzing Nanorods
Authors: Shandilya Ekta , Dasgupta Basundhara , Maiti Subhabrata 
Published: March 2021

AbstractUnderstanding the fundamental facts behind dynamicity of catalytic processes has been a longstanding quest across disciplines. Herein, we report self‐assembly of catalytically active gold nanorods that can be regulated by tuning its reactivity towards a proton transfer reaction at different pH. Unlike substrate‐induced templating and co‐operativity, the enhanced aggregation rate is due to alteration of catalytic surface charge only during reactivity as negatively charged transition state of reactant (5‐nitrobenzisoxazole) is formed on positively charged nanorod while undergoing a concerted E2‐pathway. Herein, enhanced diffusivity during catalytic processes might also act as an additional contributing factor. Furthermore, we have also shown that nanosized hydrophobic cavities of clustered nanorods can also efficiently accelerate the rate of an aromatic nucleophilic substitution reaction, which also demonstrates a catalytic phenomenon that can lead to cascading of other reactions where substrates and products of the starting reactions are not directly involved.
Reaction Mechanisms of the Degradation of Fluoroethylene Carbonate, an Additive of Lithium‐Ion Batteries, Unraveled by Radiation Chemistry
Authors: Puget Marin , Shcherbakov Viacheslav , Denisov Sergey , Moreau Philippe , Dognon Jean‐Pierre , Mostafavi Mehran , Le Caër Sophie 
Published: March 2021

AbstractNumerous additives are used in the electrolytes of lithium‐ion batteries, especially for the formation of an efficient solid electrolyte interphase at the surface of the electrodes. Understanding the degradation processes of these compounds is thus important; they can be seen through radiolysis. In the case of fluoroethylene carbonate (FEC), picosecond pulse radiolysis experiments evidenced the formation of FEC.−. This radical is stabilized in neat FEC, whereas the ring opens to form more stable radical anions when FEC is a solute in other solvents, as confirmed by quantum chemistry calculations. In neat FEC, pre‐solvated electrons primarily undergo attachment rather than solvation. On long timescales, the gases produced (H2, CO, and CO2) were quantified. A reaction scheme for both the oxidizing and reducing pathways at stake in irradiated FEC is proposed. This work shows that the nature of the primary species formed in FEC depends on the amount of FEC in the solution.
Rhamnogalacturonan II: Chemical Synthesis of a Substructure Including α‐2,3‐Linked Kdo**
Authors: Mancuso Enzo , Romanò Cecilia , Trattnig Nino , Gritsch Philipp , Kosma Paul , Clausen Mads H. 
Published: March 2021

AbstractThe synthesis of a fully deprotected Kdo‐containing rhamnogalacturonan II pentasaccharide is described. The strategy relies on the preparation of a suitably protected homogalacturonan tetrasaccharide backbone, through a post‐glycosylation oxidation approach, and its stereoselective glycosylation with a Kdo fluoride donor.
Reevaluating the Solution Photophysics of Tetraphenylethylene at the Origin of their Aggregation‐Induced Emission Properties
Authors: Rouillon Jean , Monnereau Cyrille , Andraud Chantal 
Published: March 2021

AbstractAlthough tetraphenylethylene (TPE) and its derivatives have been the most commonly used building blocks in the construction of molecules with aggregation‐induced emission (AIE) properties, no absolute consensus exists regarding the mechanisms at the origin of the phenomenon. Restriction of intramolecular rotations (RIR) of peripheral phenyls has historically been a dominant paradigm, which has served as a valuable guideline in the molecular engineering of AIEgens. Yet, an increasing number of recent works have established that photoisomerization or photocyclization may actively participate in the nonradiative dissipation of the excitation energy. In this paper, the first experimental evaluation of the quantum efficiencies of these different processes is reported, and photoisomerization is shown to be by far the dominant photophysical pathway in solution, accounting for virtually all nonradiative decay of the molecule‘s excited state in degassed solution.
Synthesis and Structure of an o‐Carboranyl‐Substituted Three‐Coordinate Borane Radical Anion
Authors: Krebs Johannes , Haehnel Martin , Krummenacher Ivo , Friedrich Alexandra , Braunschweig Holger , Finze Maik , Ji Lei , Marder Todd B. 
Published: March 2021

AbstractBis(1‐(4‐tolyl)‐carboran‐2‐yl)‐(4‐tolyl)‐borane [(1‐(4‐MeC6H4)‐closo‐1,2‐C2B10H10‐2‐)2(4‐MeC6H4)B] (1), a new bis(o‐carboranyl)‐(R)‐borane was synthesised by lithiation of the o‐carboranyl precursor and subsequent salt metathesis reaction with (4‐tolyl)BBr2. Cyclic voltammetry experiments on 1 show multiple distinct reduction events with a one‐electron first reduction. In a selective reduction experiment the corresponding paramagnetic radical anion 1.− was isolated and characterized. Single‐crystal structure analyses allow an in‐depth comparison of 1, 1.−, their calculated geometries, and the S1 excited state of 1. Photophysical studies of 1 show a charge transfer (CT) emission with low quantum yield in solution but a strong increase in the solid state. TD‐DFT calculations were used to identify transition‐relevant orbitals.
Rerouting and Improving Dauc‐8‐en‐11‐ol Synthase from Streptomyces venezuelae to a High Yielding Biocatalyst
Authors: Lauterbach Lukas , Hou Anwei , Dickschat Jeroen S. 
Published: March 2021

AbstractThe dauc‐8‐en‐11‐ol synthase from Streptomyces venezuelae was investigated for its catalytic activity towards alternative terpene precursors, specifically designed to enable new cyclisation pathways. Exchange of aromatic amino acid residues at the enzyme surface by site‐directed mutagenesis led to a 4‐fold increase of the yield in preparative scale incubations, which likely results from an increased enzyme stability instead of improved enzyme kinetics.
Topology Effects in Molecular Organic Electronic Materials: Pyrene and Azupyrene**
Authors: Klein Benedikt P. , Ruppenthal Lukas , Hall Samuel J. , Sattler Lars E. , Weber Sebastian M. , Herritsch Jan , Jaegermann Andrea , Maurer Reinhard J. , Hilt Gerhard , Gottfried J. Michael 
Published: March 2021

AbstractPyrene derivatives play a prominent role in organic electronic devices, including field effect transistors, light emitting diodes, and solar cells. The flexibility in the desired properties has previously been achieved by variation of substituents at the periphery of the pyrene backbone. In contrast, the influence of the topology of the central π‐electron system on the relevant properties such as the band gap or the fluorescence behavior has not yet been addressed. In this work, pyrene is compared with its structural isomer azupyrene, which has a π‐electron system with non‐alternant topology. Using photoelectron spectroscopy, near edge X‐ray absorption fine structure spectroscopy, and other methods, it is shown that the electronic band gap of azupyrene is by 0.72 eV smaller than that of pyrene. The difference of the optical band gaps is even larger with 1.09 eV, as determined by ultraviolet–visible absorption spectroscopy. The non‐alternant nature of azupyrene is also associated with a more localized charge distribution. Further insight is provided by density functional theory (DFT) calculations of the molecular properties and ab initio coupled cluster calculations of the optical transitions. The concept of aromaticity is used to interpret the major topology‐related differences.
Isolation of HLA Bound Peptides by Immunoaffinity Capture and Identification by Mass Spectrometry
Authors: Pandey Kirti , Ramarathinam Sri H. , Purcell Anthony W. 
Published: March 2021

AbstractThis article describes the purification of HLA‐bound peptides and their subsequent sequencing by mass spectrometry. These methods can be used for both HLA class I and class II molecules and can be adapted to different species depending on the availability of specific antibodies. Peptides can be successfully isolated from a variety of sample types, including in vitro cultured cells and primary tissues. The method involves the affinity capture of HLA‐peptide complexes and separation of peptides from HLA heavy chains, followed by tailored interrogation by mass spectrometry to take into account the non‐tryptic nature of endogenously derived HLA‐bound peptides. © 2021 Wiley Periodicals LLC.Basic Protocol 1: Preparation of immunoaffinity columnAlternate Protocol 1: Preparation of microscale immunoaffinity columnBasic Protocol 2: Generation of cell lysate and HLA immunoaffinity purificationAlternate Protocol 2: Microscale immunoaffinity purificationBasic Protocol 3: Separation of HLA peptides by reverse‐phase high‐performance liquid chromatography (RP‐HPLC)Alternate Protocol 3: Isolation of HLA peptides using molecular weight cutoff (MWCO) filterBasic Protocol 4: Mass spectrometry and data analysis
Characterization of mutations conferring inherent resistance to acetyl coenzyme A carboxylase‐inhibiting herbicides in turfgrass and grassy weeds
Authors: Tate Trent M. , McCullough Patrick E. , Harrison Melanie L. , Chen Zhenbang , Raymer Paul L. 
Published: March 2021

AbstractAn herbicide‐resistant weed control system that utilizes naturally occurring mutations to acetyl‐coenzyme A carboxylase (ACCase)‐inhibiting herbicides could provide herbicide selectivity and improve control of grassy weeds in turf. Knowledge regarding the presence of these mutations in grasses is needed to guide development of this type of system. This research subjected 24 species of warm‐season, cool‐season, and grassy weed species to rates of 0, 400, and 1200 g a.i. ha−1 of fenoxaprop herbicide and surveyed these species for the presence of site‐of‐action mutations in ACCase at amino acid (aa) positions 1781, 1999, 2027, 2041, 2076, 2088, and 2096. Nine species including Agrostis capillaris L., Festuca ovina L., Festuca rubra L., Lolium multiflorum Lam., Lolium perenne L., Paspalum dilatatum Poir., Poa annua L., Zoysia japonica Steud., and Z. matrella [L.] Merr. were tolerant to fenoxaprop. Site of action point mutations conferring resistance to ACCase herbicides were found at aa position 1781 in only three of 24 species surveyed (Festuca ovina, Festuca rubra, and Poa annua). The information obtained from this study provide guidance for the development of ACCase resistant weed control systems for turfgrass.
Niche separation and weak interactions in the high tidal zone of saltmarsh‐mangrove mixing communities
Authors: Ndayambaje Patrick , Wei Lili , Zhang Tingfeng , Li Yuhong , Liu Lin , Huang Xu , Liu Chaoxiang 
Published: March 2021

AbstractSaltmarsh‐mangrove ecotones occur at the boundary of the natural geographic distribution of mangroves and salt marshes. Climate warming and species invasion can also drive the formation of saltmarsh‐mangrove mixing communities. How these coastal species live together in a “new” mixed community is important in predicting the dynamic of saltmarsh‐mangrove ecosystems as affected by ongoing climate change or human activities. To date, the understanding of species interactions has been rare on adult species in these ecotones.Two typical coastal wetlands were selected as cases to understand how mangrove and saltmarsh species living together in the ecotones. The leaves of seven species were sampled from these coastal wetlands based on their distribution patterns (living alone or coexisting) in the high tidal zone, and seven commonly used functional traits of these species were analyzed.We found niche separation between saltmarsh and mangrove species, which is probably due to the different adaptive strategies they adopted to deal with intertidal environments.Weak interactions between coexisting species were dominated in the high tidal zone of the two saltmarsh‐mangrove communities, which could be driven by both niche differentiation and neutral theory.Synthesis. Our field study implies a potential opportunity to establish a multispecies community in the high tidal zone of saltmarsh‐mangrove ecotones, where the sediment was characterized by low salinity and high nitrogen.