bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structure and binding ability of self‐assembled α‐lactalbumin protein nanotubular gels
Authors: Tarhan Özgür , Hamaker Bruce R. , Campanella Osvaldo H. 
Published: January 2021

AbstractPartial hydrolysis of whey‐based α‐lactalbumin (α‐La) with Bacillus licheniformis protease (BLP) induces the formation of nanotubular structures in the presence of calcium ions by a self‐assembly process. α‐La nanotubes (α‐LaNTs) exist in the form of regular hollow strands with well‐defined average dimensions. The growth of nanotubes induces the formation of stiff transparent protein gels due to the well‐arranged networks that the strands can form; these gels can be used for entrapment, transportation, and target delivery of bioactive agents in the industry. High purity of α‐La (free of other whey protein fractions) is desirable for nanotube formation; however, pure proteins are very expensive and not practically obtained for industrial applications. Thus, the purpose of this research was to construct α‐LaNTs from an α‐La preparation with lower purity and to study the gelation phenomena triggered by the self‐assembled nanotubes. Some structural features of nanotube gels and their active agent‐binding abilities were also investigated. A lower amount of α‐LaNTs was observed when low purity α‐La was used for nanotube formation. Nanotube growth induced gel formation and higher gel stiffness was obtained when compared to α‐La hydrolysates. α‐La was denatured after hydrolysis and self‐assembly, and remarkable changes were observed in the α‐helix and β‐sheet domains of α‐La structure. Increased intensity in Amide I and II regions indicated potential locations for binding of active agents to α‐LaNTs. Whey‐based α‐La without much purification can be used to produce nanotubular gels and these gels can be considered carrying matrices for active agents in various industrial applications.
Anatomical location of the spinothalamic tract in the subcortical white matter in the human brain: A diffusion tensor imaging study
Authors: Jang Sung Ho , Seo Jeong Pyo 
Published: January 2021

AbstractIntroductionWe investigated the anatomical location of the spinothalamic tract and its thalamocortical pathway (STT) in the subcortical white matter in normal subjects, using diffusion tensor tractography (DTT).Materials and MethodsThe STT was reconstructed using FMRIB software in 40 normal subjects. The most probable locations of the STT were defined as the location on an axial slice of the centrum semiovale (CS), corona radiata (CR), and posterior limb of the internal capsule (PL).ResultsThe STT was located at an average of 62.66% in the anterior to posterior direction along a horizontal line that passed between the anterior and posterior ends of the brain, and an average of 36.29% lateral from the midline in the CS. In the CR, the STT was located at an average of 79.60% in the anterior to posterior direction along the aforementioned horizontal line, and an average of 36.36% lateral from the midline. In the PL, the STT was located at an average of 83.58% in the anterior to posterior direction along a horizontal line that passed the middle point at the genu of the internal capsule and the posterior endpoint of the putamen, and an average of 69.69% lateral from the midline to the lateral end of the putamen.ConclusionsWe found the precise anatomical location of the STT in the subcortical white matter in the human brain using DTT. We believe that the results of this study will be helpful to clinicians in the neuroscience field.
Systematic review of phase‐I/II trials enrolling refractory and recurrent Ewing sarcoma: Actual knowledge and future directions to optimize the research
Authors: Felix Arthur , Berlanga Pablo , Toulmonde Maud , Landman‐Parker Judith , Dumont Sarah , Vassal Gilles , Le Deley Marie‐Cécile , Gaspar Nathalie 
Published: January 2021

AbstractBackgroundOptimal Phase‐II design to evaluate new therapies in refractory/relapsed Ewing sarcomas (ES) remains imperfectly defined.ObjectivesRecurrent/refractory ES phase‐I/II trials analysis to improve trials design.MethodsComprehensive review of therapeutic trials registered on five databases (who.int/trialsearch, clinicaltrials.gov, clinicaltrialsregister.eu, e‐cancer.fr, and umin.ac.jp) and/or published in PubMed/ASCO/ESMO websites, between 2005 and 2018, using the criterion: (Ewing sarcoma OR bone sarcoma OR sarcoma) AND (Phase‐I or Phase‐II).ResultsThe 146 trials identified (77 phase‐I/II, 67 phase‐II, and 2 phase‐II/III) tested targeted (34%), chemo‐ (23%), immune therapies (19%), or combined therapies (24%). Twenty‐three trials were ES specific and 48 had a specific ES stratum. Usually multicentric (88%), few trials were international (30%). Inclusion criteria cover the recurrent ES age range for only 12% of trials and allowed only accrual of measurable diseases (RECIST criteria). Single‐arm design was the most frequent (88%) testing mainly single drugs (61%), only 5% were randomized. Primary efficacy outcome was response rate (RR=CR+PR; Complete+Partial response) (n = 116/146; 79%), rarely progression‐free or overall survival (16% PFS and 3% OS). H0 and H1 hypotheses were variable (3%–25% and 20%–50%, respectively). The 62 published trials enrolled 827 ES patients. RR was poor (10%; 15 CR=1.7%, 68 PR=8.3%). Stable disease was the best response for 186 patients (25%). Median PFS/OS was of 1.9 (range 1.3–14.7) and 7.6 months (5–30), respectively. Eleven (18%) published trials were considered positive, with median RR/PFS/OS of 15% (7%–30%), 4.5 (1.3–10), and 16.6 months (6.9–30), respectively.ConclusionThis review supports the need to develop the international randomized phase‐II trials across all age ranges with PFS as primary endpoint.
Smoking cessation and shared decision‐making practices about lung cancer screening among primary care providers
Authors: Lopez‐Olivo Maria A. , Minnix Jennifer A. , Fox James G. , Nishi Shawn P. E. , Lowenstein Lisa M. , Maki Kristin G. , Leal Viola B. , Tina Shih Ya‐Chen , Cinciripini Paul M. , Volk Robert J. 
Published: January 2021

AbstractObjectiveWe describe primary care providers’ current practice patterns related to smoking cessation counseling and lung cancer screening (LCS).MethodsFamily, internal medicine, and pulmonary medicine providers from two medical centers were asked to complete an electronic survey to report their practice patterns.ResultsOf 52 participating providers, most reported initiating three major components of a smoking cessation intervention often or very often: advise to quit (50, 96%), assess willingness to quit (47, 90%), and assist with counseling or pharmacotherapy (49, 94%). However, other components were less commonly initiated such as arranging follow‐ups (only 11 providers indicated recommending them often or very often, 21%) and less than half of providers reported that they often or very often recommend cessation counseling or pharmacotherapy of any type (except varenicline), though family medicine providers were more likely to recommend pharmacotherapy compared to the other specialists (p < 0.01). The majority of providers (47, 92%) reported that they engage in informed/shared decision‐making about LCS, although only about one‐third (17, 33%) indicated using a patient decision aid. Pulmonary medicine providers were more likely to use decision aids than providers from internal or family medicine (p < 0.04).ConclusionsWithin the context of LCS, primary care providers report often having conversations about smoking cessation with their patients who smoke, have no clear preference for type of treatment, and rarely use follow‐up calls or visits pertaining to quitting smoking. While many providers report engaging in shared decision‐making about LCS, few use a decision aid for this conversation.
Simplifying the definition of the fully functioning person for client use
Authors: Renger Susan , Macaskill Ann 
Published: January 2021

AbstractThis study seeks clarity on the definition of the ‘fully functioning’ individual to enable clients to define their own therapeutic aims in humanistic therapy. The definition and use of therapeutic aims or goals is not common in humanistic therapy. However, the potential for utilising goal setting is discussed in the context of Rogers’ ideas on self‐directed learning, which could be applied to humanistic therapy. A simple description of Rogers’ notion of a fully functioning person would give the client a start point from which to define their own hopes for emotional growth, which could then engage goal‐directed behaviour. As a result, humanistic therapy may be more efficient as clients focus their processing towards specified outcomes. Further, a clear sense of personal direction and self‐efficacy may enable clients to manage their own therapeutic development on a self‐therapy basis.Initially, a literature review was undertaken to collate existing descriptions of a fully functioning person or ideal humanistic outcomes. These were condensed into a list of items, which were then distributed to 35 therapists for ratification through a Delphi study. Group consensus was reached, and the resulting list was then simplified so that it could be easily understood by a sample of the general public. The final outcome was a list of 71 items describing a fully functioning individual in simple terms.
Chemical Synthesis and Biological Applications of O‐GlcNAcylated Peptides and Proteins
Authors: Groenevelt Jessica M. , Corey Daniel J. , Fehl Charlie 
Published: January 2021

AbstractAll human cells use O‐GlcNAc protein modifications (O‐linked N‐acetylglucosamine) to rapidly adapt to changing nutrient and stress conditions through signaling, epigenetic, and proteostasis mechanisms. A key challenge for biologists in defining precise roles for specific O‐GlcNAc sites is synthetic access to homogenous isoforms of O‐GlcNAc proteins, a result of the non‐genetically templated, transient, and heterogeneous nature of O‐GlcNAc modifications. Toward a solution, this review details the state of the art of two strategies for O‐GlcNAc protein modification: advances in “bottom‐up” O‐GlcNAc peptide synthesis and direct “top‐down” installation of O‐GlcNAc on full proteins. We also describe key applications of synthetic O‐GlcNAc peptide and protein tools as therapeutics, biophysical structure–function studies, biomarkers, and as disease mechanistic probes to advance translational O‐GlcNAc biology.
The contribution of particle‐size distribution to the physiochemical properties of total wheat starch during freezing
Authors: Yang Zixuan , Xu Dan , Guo Lunan , Zhou Hongling , Wu Fengfeng , Xu Xueming 
Published: January 2021

AbstractBackground and objectivesThe fractionation and reconstitution methods were used to investigate the effects of freezing only large granules or small granules on the corresponding reconstituted total wheat starch. Reconstituted total wheat starch was evaluated for physicochemical properties.FindingsResults showed that frozen small granules have more significant effect on the short‐range order and gel hardness of frozen total wheat starch. In contrast, large granules are the primary granules that determine the crystallinity, swelling power, and pasting profiles of total wheat starch during freezing. There were synergetic interactions between large and small granules in terms of enthalpy increment of total wheat starch.ConclusionsThe contribution of large granules on the total wheat starch gel was more on viscosity, while the contribution of small granules was more on elasticity.Significance and noveltyStarch characteristics and properties among the two types of granules are further anticipated to aid explanation of the changes in total wheat starch during frozen storage.
Specific Ion–Protein Interactions Influence Bacterial Ice Nucleation
Authors: Schwidetzky Ralph , Lukas Max , YazdanYar Azade , Kunert Anna T. , Pöschl Ulrich , Domke Katrin F. , Fröhlich‐Nowoisky Janine , Bonn Mischa , Koop Thomas , Nagata Yuki , Meister Konrad 
Published: January 2021

AbstractIce nucleation‐active bacteria are the most efficient ice nucleators known, enabling the crystallization of water at temperatures close to 0 °C, thereby overcoming the kinetically hindered phase transition process at these conditions. Using highly specialized ice‐nucleating proteins (INPs), they can cause frost damage to plants and influence the formation of clouds and precipitation in the atmosphere. In nature, the bacteria are usually found in aqueous environments containing ions. The impact of ions on bacterial ice nucleation efficiency, however, has remained elusive. Here, we demonstrate that ions can profoundly influence the efficiency of bacterial ice nucleators in a manner that follows the Hofmeister series. Weakly hydrated ions inhibit bacterial ice nucleation whereas strongly hydrated ions apparently facilitate ice nucleation. Surface‐specific sum‐frequency generation spectroscopy and molecular dynamics simulations reveal that the different effects are due to specific interactions of the ions with the INPs on the surface of the bacteria. Our results demonstrate that heterogeneous ice nucleation facilitated by bacteria strongly depends upon the nature of the ions, and specific ion–protein interactions are essential for the complete description of heterogeneous ice nucleation by bacteria.
Explorative Study for Participating and Use‐Inspired Research in Chemical Education
Authors: Gökkus Yasemin , Tausch Michael W. 
Published: January 2021

AbstractDiese explorative Studie ist nach dem Prinzip der nutzenorientierten Grundlagenforschung konzipiert und wurde unter Beteiligung von ca. 1000 Lehrenden und Lernenden aus Gymnasien und Universitäten durchgeführt. Die inhaltlichen Schwerpunkte der 84 an 18 Gymnasien durchgeführten Schulstunden fokussieren den Zusammenhang Licht und Farbe sowie die Energiekonversion und ‐speicherung mit Lichtbeteiligung. Die erhobenen und statistisch ausgewerteten Daten dokumentieren eine starke Korrelation zwischen Lernertrag und Identifikation mit photochemischen Inhalten sowie eine überaus bedeutend eingeschätzte Zukunftsrelevanz der Energieform Licht im Chemieunterricht und im Lehramtsstudium.
Conformational Landscape, Chirality Recognition and Chiral Analyses: Rotational Spectroscopy of Tetrahydro‐2‐Furoic Acid⋅⋅⋅Propylene Oxide Conformers
Authors: Xie Fan , Seifert Nathan A. , Hazrah Arsh S. , Jäger Wolfgang , Xu Yunjie 
Published: January 2021

AbstractA chiral adduct formed between a chiral carboxylic acid, tetrahydro‐2‐furoic acid (THFA), and a chiral ester, propylene oxide (PO), was investigated using rotational spectroscopy and DFT calculations. Isolated THFA exists dominantly as three different conformers: I, II, and III in a jet, with I and II taking on the trans‐COOH configuration and III having the cis‐COOH configuration. We utilized CREST, a conformational ensemble space exploration tool, to identify the possible conformations of the binary adduct, THFA⋅⋅⋅PO. Subsequent DFT geometry optimizations predicted about two hundred homochiral and heterochiral binary structures with 28 low energy structures within an energy window of 15 kJ mol−1. A rich broadband rotational spectrum was obtained with a mixture of trace amounts of THFA+PO in neon in a supersonic jet expansion. Six THFA⋅⋅⋅PO conformers were identified experimentally. Kinetically favored binary products which contain trans‐COOH I dominate among the observed conformers, while thermodynamically more stable adducts were also detected. Detailed analyses of the structures of the observed conformers show interesting chirality‐controlled structural preferences. Such non‐covalently bound chiral contact pairs are the foundation of chiral‐tag rotational spectroscopy, an exciting new analytical application of rotational spectroscopy for determination of enantiomeric excess. Enantiomeric excess analyses were performed and the results are discussed.
It Takes Three to Tango: The Length of the Oligothiophene Chain Determines the Nature of the Long‐Lived Excited State and the Resulting Photocytotoxicity of a Ruthenium(II) Photodrug
Authors: Chettri Avinash , Roque John A. , Schneider Kilian R. A. , Cole Houston D. , Cameron Colin G. , McFarland Sherri A. , Dietzek Benjamin 
Published: January 2021

AbstractTLD1433 is the first Ru(II) complex to be tested as a photodynamic therapy agent in a clinical trial. In this contribution we study TLD1433 in the context of structurally‐related Ru(II)‐imidozo[4,5‐f][1,10]phenanthroline (ip) complexes appended with thiophene rings to decipher the unique photophysical properties which are associated with increasing oligothiophene chain length. Substitution of the ip ligand with ter‐ or quaterthiophene changes the nature of the long‐lived triplet state from metal‐to‐ligand charge‐transfer to 3ππ* character. The addition of the third thiophene thus presents a critical juncture which not only determines the photophysics of the complex but most importantly its capacity for 1O2 generation and hence the potential of the complex to be used as a photocytotoxic agent.
Recent Development of Mn‐based Oxides as Zinc‐Ion Battery Cathode
Authors: Shi Wen , Lee Wee Siang Vincent , Xue Junmin 
Published: January 2021

AbstractManganese‐based oxide is arguably one of the most well‐studied cathode materials for zinc‐ion battery (ZIB) due to its wide oxidation states, cost‐effectiveness, and matured synthesis process. As a result, there are numerous reports that show significant strides in the progress of Mn‐based oxides as ZIB cathode. However, ironically, due to the sheer number of Mn‐based oxides that have been published in recent years, there remain certain contemplations with regards to the electrochemical performance of each type of Mn‐based oxides and their performance comparison among various Mn polymorphs and oxidation states. Thus, to provide a clearer indication of the development of Mn‐based oxides, the recent progress in Mn‐based oxides as ZIB cathode was summarized systematically in this Review. More specifically, (1) the classification of Mn‐based oxides based on the oxidation states (i. e., MnO2, Mn3O4, Mn2O3, and MnO), (2) their respective polymorphs (i. e., α‐MnO2 and δ‐MnO2) as ZIB cathode, (3) the modification strategies commonly employed to enhance the performance, and (4) the effects of these modification strategies on the performance enhancement were reviewed. Lastly, perspectives and outlook of Mn‐based oxides as ZIB cathode were discussed at the end of this Review.
Choosing the Right Lignin to Fully Replace Bisphenol A in Epoxy Resin Formulation
Authors: Nikafshar Saeid , Wang Jiarun , Dunne Kevin , Sangthonganotai Prakit , Nejad Mojgan 
Published: January 2021

AbstractThirteen unmodified lignin samples from different biomass sources and isolation processes were characterized and used to entirely replace bisphenol A (BPA) in the formulation of solubilized epoxy resins using a developed novel method. The objective was to measure the reactivity of different lignins toward bio‐based epichlorohydrin (ECH). The epoxy contents of various bio‐based epoxidized lignins were measured by titration and 1H NMR spectroscopy methods. A partial least square regression (PLS‐R) model with 92 % fitting accuracy and 90 % prediction ability was developed to find correlations between lignin properties and their epoxy contents. The results showed that lignins with higher phenolic hydroxy content and lower molecular weights were more suitable for replacing 100 % of toxic BPA in the formulation of epoxy resins. Additionally, two epoxidized lignin samples (highest epoxy contents) cured by using a bio‐based hardener (Cardolite GX‐3090) were found to show comparable thermomechanical performances and thermal stabilities to a petroleum‐based (DGEBA) epoxy system.
Miniaturization: How many cells are needed to build a tooth?
Authors: Larionova Daria , Lesot Hervé , Huysseune Ann 
Published: January 2021

AbstractBackgroundOrgans that develop early in life, and are replaced by a larger version as the animal grows, often represent a miniature version of the adult organ. Teeth constituting the first functional dentition in small‐sized teleost fish, such as medaka (Oryzias latipes), are examples of such miniature organs. With a dentin cone as small as the size of one human cell, or even smaller, these teeth raise the question how many dentin‐producing cells (odontoblasts) are required to build such a tooth, and whether this number can be as little as one.ResultsBased on detailed observations with transmission electron microscopy (TEM) and TEM‐based 3D‐reconstructions, we show that only one mesenchymal cell qualifies as a true odontoblast. A second mesenchymal cell potentially participates in dentin formation, but only at a late stage of tooth development. Moreover, the fate of these cells appears to be specified very early during tooth development.ConclusionsOur observations indicate that in this system, one single odontoblast fulfills roles normally exerted by a large and communicating cell population. First‐generation teeth in medaka thus provide an exciting model to study integration of multiple functions into a single cell.
Restoration of a shrub‐encroached semi‐arid grassland: Implications for structural, hydrologic, and sediment connectivity
Authors: Johnson Justin C. , Williams C. Jason , Guertin D. Phillip , Archer Steven R. , Heilman Philip , Pierson Frederick B. , Wei Haiyan 
Published: January 2021

AbstractCross‐scale structural and functional connectivity feedbacks can amplify exogenous forces in dryland environments leading to ecosystem state change (e.g., from grassland to shrubland). Attenuation of these connectivity feedbacks would ostensibly be required to restore transitioned ecosystems to their former state. We compared structural, hydrologic, and sediment connectivity on a shrub‐encroached semi‐arid grassland in south‐eastern Arizona, USA, to that of a nearby site experiencing an increase in non‐native perennial grass (Lehmann lovegrass) abundance 5‐year following treating shrubs with tebuthiuron herbicide. Soil/vegetation attributes were quantified and paired with hydrologic experiments at fine (0.5 m2) to hillslope (50 m2) scales. Fine‐scale rainfall simulations (120 mm·h−1rainfall intensity; 45 min) showed interspaces between shrubs were hydrologically similar on the treated and control sites, whereas herbicided shrub patches were more resource conserving than those within the control (terminal infiltration rates of 105 and 71 mm·h−1, respectively). High structural connectivity of bare ground (basal gap lengths >200 cm) was correlated with increased concentrated flow run‐off and accompanied by greater sediment yields within the untreated site at a coarse scale (~9 m2). Hillslope‐scale modelling suggested a divergence between hydrologic and sediment connectivity: run‐off from high intensity rainfall was similar between sites, while predicted sediment yield was 44% less within the tebuthiuron‐treated site. Our results indicate (i) hydraulic properties of soils between shrubs are unresponsive to herbicide treatment, (ii) disruption of structural connectivity of these interspaces associated with grass cover increases subsequent to herbicide application attenuated run‐off and the energy needed for sediment transport, and (iii) sediment connectivity is reduced by conversion to a novel grassland ecological state.