bluuebunny/crossref_metadata_2025_split huggingface dataset:
Tail Weaponry in Ankylosaurs and Glyptodonts: An Example of a Rare but Strongly Convergent Phenotype
Authors: Arbour Victoria M. , Zanno Lindsay E. 
Published: March 2019

ABSTRACTThe unusual clubbed tails of glyptodonts among mammals and ankylosaurines among dinosaurs most likely functioned as weapons of intraspecific combat or interspecific defense and are characterized by stiffening of the distal tail and, in some taxa, expansion of the distal tail tip. Although similarities in tail weaponry have been noted as a potential example of convergent evolution, this hypothesis has not been tested quantitatively, particularly with metrics that can distinguish convergence from long‐term stasis, assess the relative strength of convergence, and identify potential constraints in the appearance of traits during the stepwise, independent evolution of these structures. Using recently developed metrics of convergence within a phylomorphospace framework, we document that convergence accounts for over 80% of the morphological evolution in traits associated with tail weaponry in ankylosaurs and glyptodonts. In addition, we find that ankylosaurs and glyptodonts shared an independently derived, yet constrained progression of traits correlated with the presence of a tail club, including stiffening of the distal tail as a precedent to expansion of the tail tip in both clades. Despite differences in the anatomical construction of the tail club linked to lineage‐specific historical contingency, these lineages experienced pronounced, quantifiable convergent evolution, supporting hypotheses of functional constraints and shared selective pressures on the evolution of these distinctive weapons. Anat Rec, 303:988–998, 2020. © 2019 Wiley Periodicals, Inc.
Histologic and Transcriptional Evidence of Subclinical Synovial Inflammation in Patients With Rheumatoid Arthritis in Clinical Remission
Authors: Orange Dana E. , Agius Phaedra , DiCarlo Edward F. , Mirza Serene Z. , Pannellini Tania , Szymonifka Jackie , Jiang Caroline S. , Figgie Mark P. , Frank Mayu O. , Robinson William H. , Donlin Laura T. , Rozo Cristina , Gravallese Ellen M. , Bykerk Vivian P. , Goodman Susan M. 
Published: March 2019

ObjectivePatients with rheumatoid arthritis (RA) in clinical remission may have subclinical synovial inflammation. This study was undertaken to determine the proportion of patients with RA in remission or with low disease activity at the time of arthroplasty who had histologic or transcriptional evidence of synovitis, and to identify clinical features that distinguished patients as having subclinical synovitis.MethodsWe compared Disease Activity Score in 28 joints (DAS28) to synovial histologic features in 135 patients with RA undergoing arthroplasty. We also compared DAS28 scores to RNA‐Seq data in a subset of 35 patients.ResultsFourteen percent of patients met DAS28 criteria for clinical remission (DAS28 <2.6), and another 15% met criteria for low disease activity (DAS28 <3.2). Histologic analysis of synovium revealed synovitis in 27% and 31% of samples from patients in remission and patients with low disease activity, respectively. Patients with low disease activity and synovitis also exhibited increased C‐reactive protein (CRP) (P = 0.0006) and increased anti–cyclic citrullinated peptide (anti‐CCP) antibody levels (P = 0.03) compared to patients without synovitis. Compared to patients with a “low inflammatory synovium” subtype, 183 genes were differentially expressed in the synovium of patients with subclinical synovitis. The majority of these genes (86%) were also differentially expressed in the synovium of patients with clinically active disease (DAS28 ≥3.2).ConclusionThirty‐one percent of patients with low clinical disease activity exhibited histologic evidence of subclinical synovitis, which was associated with increased CRP and anti‐CCP levels. Our findings suggest that synovial gene expression signatures of clinical synovitis are present in patients with subclinical synovitis.
Advances in the Total Synthesis of Xanthanolide‐Type Sesquiterpenoids
Authors: Lei Xiaoqiang , Feng Juan , Liu Jingchun , Tang Yefeng 
Published: March 2019

AbstractXanthanolide‐type sesquiterpenoids are a diverse family of natural products isolated primarily from the genus Xanthium (Compositae). The intriguing molecular architectures and biological profiles of these natural products have rendered them attractive targets for total synthesis. This focus review aims to provide an up‐to‐date summary of progress in the chemical synthesis of xanthanolide‐type sesquiterpenoids. Different synthetic strategies to form 5/7‐cis‐ and 5/7‐trans‐bicyclic xanthanolides are presented in chronological order, with an emphasis on the key elements used to forge the characteristic 5/7‐bicyclic cores of the targets. Recent advances in the total syntheses of structurally more complicated polycyclic and dimeric xanthanolides are also discussed.
Photocatalyst‐free Synthesis of Indazolones under CO2 Atmosphere
Authors: Yang Tianbao , Lu Huiai , Qiu Renhua , Hong Ling , Yin Shuang‐Feng , Kambe Nobuaki 
Published: March 2019

AbstractA convenient photocatalyst‐free method for the synthesis of redox‐active 1,2‐dihydro‐3H‐indazol‐3‐one derivatives from (2‐nitroaryl)methanol and amines was developed. The reaction proceeded efficiently at room temperature by irradiation of UV light under CO2 atmosphere (1.0 atm, flow) without any photocatalysts or additives. This mild, operationally simple method shows wide functional tolerance. The carbamate formed in situ from CO2 and amine is proposed to be the key of this reaction. Some of these compounds synthesized by the present method were found to exhibit high anticancer activities, which can lower the viability of cancerous cell lines such as HeLa, MCF‐7 and U87.
Quantifying the Bonding Strength of Gold‐Chalcogen Bonds in Block Copolymer Systems
Authors: Xiang Wentian , Li Zhandong , Xu Cong‐Qiao , Li Jun , Zhang Wenke , Xu Huaping 
Published: March 2019

AbstractGold‐chalcogen interactions are ubiquitous in gold biological and medicinal systems. Understanding the nature of these interactions can provide the basis for regulating their structures and functionalities, and a reasonable way to interpret the differences in various properties. However, the relative strength of gold‐chalcogen bonds remains controversial, and the conclusions of many related works are inconsistent. Thus, in this work, we successfully quantified the relative strength of Au‐X (X=S, Se, and Te from chalcogenide‐containing A‐B‐A type block copolymers) interactions at the single‐molecule level through single‐molecule force spectroscopy (SMFS) from a kinetic point of view and quantum chemical studies from a thermodynamic point of view. Both sets of results suggested that the strength of the Au‐X bonds decreases as Au‐Te>Au‐Se>Au‐S. Our findings unveiled the relative strength and nature of gold‐chalcogen interactions, which may help expand their application in electronics, catalysis, medicine and many other fields.
Stereochemistry of polypeptoid chain configurations
Authors: Spencer Ryan K. , Butterfoss Glenn L. , Edison John R. , Eastwood James R. , Whitelam Stephen , Kirshenbaum Kent , Zuckermann Ronald N. 
Published: March 2019

AbstractLike polypeptides, peptoids, or N‐substituted glycine oligomers, have intrinsic conformational preferences due to their amide backbones and close spacing of side chain substituents. However, the conformations that peptoids adopt are distinct from polypeptides due to several structural differences: the peptoid backbone is composed of tertiary amide bonds that have trans and cis conformers similar in energy, they lack a backbone hydrogen bond donor, and have an N‐substituent. To better understand how these differences manifest in actual peptoid structures, we analyzed 46 high quality, experimentally determined peptoid structures reported in the literature to extract their backbone conformational preferences. One hundred thirty‐two monomer dihedral angle pairs were compared to the calculated energy landscape for the peptoid Ramachandran plot, and were found to fall within the expected minima. Interestingly, only two regions of the backbone dihedral angles ϕ and ψ were found to be populated that are mirror images of each other. Furthermore, these two conformers are present in both cis and trans forms. Thus, there are four primary conformers that are sufficient to describe almost all known backbone conformations for peptoid oligomers, despite conformational constraints imposed by a variety of side chains, macrocyclization, or crystal packing forces. Because these conformers are predominant in peptoid structure, and are distinct from those found in protein secondary structures, we propose a simple naming system to aid in the description and classification of peptoid structure.
Sustainable development carbon pricing initiative and voluntary environmental disclosures quality
Authors: Rahman Sohanur , Khan Tehmina , Siriwardhane Pavithra 
Published: March 2019

AbstractAlthough corporate environmental disclosures have been researched extensively, empirical evidence regarding the indirect impact of carbon pricing on firms' voluntary disclosures is scarce. The objective of this study is to identify the indirect impact of carbon pricing initiatives on the voluntary environmental disclosures (VEDs) of electricity generating companies, analyzed through the lens of institutional theory. This study adds to the growing literature on the determinants of VED, investigating the impact of adoption of the Global Reporting Initiative and ISO 14001 on VED. Secondary data were collected from 2015 annual reports and/or standalone sustainability reports of electricity generating companies from 53 countries around the world. Content analysis approach was adopted for measuring the extent of the quality of VED. Findings of multiple regression analysis suggest that there is an indirect institutional impact of carbon pricing on the quality of VED. This study also finds that, as the form of nongovernment guidance, the Global Reporting Initiative adoption and ISO 14001 certification also have an institutional influence on the VED. VED is also affected by company size although this study reveals no significant relationship of leverage with VED.
Optimization of pH induced flocculation of marine and freshwater microalgae via central composite design
Authors: Akış Sevgi , Özçimen Didem 
Published: March 2019

AbstractMicroalgae harvesting via pH induced flocculation along with utilization of recovered medium after flocculation is one of the most economical methods for separating the microalgal biomass in order to reduce the dewatering cost. In this study, optimization of marine and freshwater microalgae flocculation by pH adjustment was investigated via central composite design methodology. One molar of KOH and NaOH solutions were used to increase the pH level of the microalgal culture. Increasing pH value of the medium provided the highest flocculation efficiency up to 92.63 and 86.18% with pH adjusted to 10.5 with KOH and NaOH solutions for marine microalgae Nannochloropsis oculata and freshwater microalgae Chlorella minutissima, respectively. Also, it was revealed that microalgae cells were still alive after flocculation process and their biochemical composition was not changed, and flocculated medium can be used again for the next microalgal production. According to the results, it can be said that this method is cheap and effective, simple to operate and provides the utilization of flocculated medium again.
Dihydroxyacetone production from glycerol using Gluconobacter oxydans: Study of medium composition and operational conditions in shaken flasks
Authors: de la Morena Susana , Acedos Miguel G. , Santos Victoria. E. , García‐Ochoa Félix 
Published: March 2019

AbstractThe production of dihydroxyacetone from glycerol employing aerobic cultures of Gluconobacter oxydans is studied. Dihydroxyacetone is one of the most important value‐added products obtained from glycerol, a by‐product of biodiesel production. The effect of organic nitrogen source and initial substrate concentrations has been studied together with the possibility of product inhibition. Afterward, the influence of the main operating conditions (temperature, shaking speed, and initial biomass concentration) on in vivo glycerol dehydrogenase activity has also been considered. The results show no evidence of glycerol inhibition, but an important product inhibition was detected, which has been taken into account in a kinetic model for enzymatic activity description. In terms of operating conditions, pH was found to exert a great impact on glycerol conversion, being necessary to keep it above 4 to ensure complete glycerol conversion. The minimum temperature that maximized enzymatic activity was found to be 30°C. In addition, a surprising decoupling between biomass concentration and dihydroxyacetone production rate was observed when adding increasing nitrogen source concentrations at a fixed shaking speed. Glycerol dehydrogenase activity remains constant despite the increase in biomass concentration, contrary to what would be expected. This fact revealed the existence of a rate limiting factor, identified subsequently as oxygen transfer rate depending on the biomass concentration.
Prevalence of mental distress among adult survivors of childhood cancer in Germany—Compared to the general population
Authors: Burghardt Juliane , Klein Eva , Brähler Elmar , Ernst Mareike , Schneider Astrid , Eckerle Susan , Neu Marie Astrid , Wingerter Arthur , Henninger Nicole , Panova‐Noeva Marina , Prochaska Jürgen , Wild Philipp , Beutel Manfred , Faber Jörg 
Published: March 2019

AbstractBackgroundIncreasing survival rates after childhood cancer have raised the issue of long‐term mental health consequences in adulthood. This study determines mental health distress among long‐term survivors of pediatric cancer and compares it to control groups.MethodsChildhood cancer survivors (CCS; N = 951, aged 24‐49 years) were compared to three age‐matched control groups from the general population collected at three time points. The study compared the prevalence of clinically relevant symptoms of a wide range of common mental disorders (depression, somatic distress, suicidal ideation, generalized anxiety, panic, social anxiety, and sleep disturbances) using identical, validated questionnaires. CCS were identified by the German Childhood Cancer Registry. Controls were approached by a demographic consultation company (USUMA) which assured that the three samples were nationally representative.ResultsChildhood cancer survivors reported higher education than controls and were less often married. All forms of common mental distress were increased among survivors. Twenty‐four percent of male (N = 526) and 41% of female survivors (N = 425) reported some form of clinically relevant mental health symptoms. Somatic distress as the leading complaint was highly frequent among CCS (OR: 10.98, CI 95%: 7.24‐16.64). Complaints by generalized anxiety (OR: 5.04, CI 95%: 2.61‐9.70), panic (OR: 3.28, CI 95%: 1.60‐6.70), depression (OR: 3.36, CI 95%: 2.22‐5.09), and suicidality (OR = 2.22; CI 95%: 1.38‐3.57) were also strongly increased. Female sex, low education, low income, and unemployment were associated with increased distress.ConclusionsFindings indicate a need to integrate psycho‐oncological screening and care into long‐term aftercare. Somatic distress, as cause and indicator of psychological distress, should receive stronger attention, especially tiredness, low energy, and pain.
Anti‐Adhesion Activity of Tannins Isolated from the Mangrove Laguncularia racemosa
Authors: Glasenapp Yvana , Lucas Christina , Wöltje Timo , Fohrer Jörg , Papenbrock Jutta 
Published: March 2019

AbstractIn the search of new compounds with biofilm‐inhibiting properties, mangroves with their richness of secondary metabolites can be a valuable resource. Crude methanolic leaf extracts from the mangrove Laguncularia racemosa enriched in phenolic substances cause a reduction in initial cell adhesion of Candida glabrata and Candida albicans, but not on Escherichia coli. LC/MS‐guided fractionation of the phenolic compounds resulted in 19 fractions, of which ten were analyzed for their bioactivity against cell adhesion. Effects on cell adhesion and planktonic growth of Escherichia coli, Candida glabrata and Candida albicans were measured in 96‐well microtiter plates in the presence of 0.2 mg ml−1 of the isolated fractions. Two fractions caused a reduction of cell adhesion of Candida albicans. These fractions containing bioactive compounds were analyzed by LC/MS and NMR spectroscopy. Casuarinin and digalloyl‐hexahydroxydiphenoyl‐glucose were identified in the active fractions, in addition to three signals of ellagitannins. These results indicate a specific mode of action of hydrolysable tannins against cell adhesion of Candida albicans, which needs to be further analyzed.
Radical‐Initiated Dismutation of Hydrosiloxanes by Catalytic Potassium‐Graphite
Authors: Frogneux Xavier , Pesesse Antoine , Delacroix Simon , Ribot François , Carenco Sophie 
Published: March 2019

AbstractFormation of higher‐value products from cheaper silicone precursors such as polymethylhydrosiloxane (PMHS) is a challenge for silicon chemistry. Here, we show that catalytic amount (<0.5 mol %) of potassium graphite (KC8) can be used as an efficient radical initiator for the cleavage of Si−O bonds of hydrosiloxanes. Methylsilane and dimethylsilane are quantitatively obtained from PMHS and TMDS (1,1,3,3‐tetramethyldisiloxane), respectively. Taking advantage of the high reactivity of the newly formed silane, the reduction of carbonyl functionalities with KC8 in catalytic amount was further performed. Mechanistic investigations suggest that both the dismutation of the initial hydrosiloxane and the reduction of carbonyl derivatives by hydrosilylation are initiated with a radical pathway.
An Ionic Liquid/Poly(vinylidene fluoride‐co‐hexafluoropropylene) Gel‐Polymer Electrolyte with a Compatible Interface for Sodium‐Based Batteries
Authors: Xie Man , Li Shuaijie , Huang Yongxin , Wang Ziheng , Jiang Ying , Wang Min , Wu Feng , Chen Renjie 
Published: March 2019

AbstractIonic liquid gel‐polymer electrolytes (GPEs) have attracted increasing attention, owing to their merits of safety and reliability. However, the high viscosity of ionic liquid requires better transmission channels for the polymer. Exploration of ionic liquid GPEs with high ionic conductivity and excellent transmission channels is a possible strategy to optimize the practicability of sodium‐based technology. A flexible GPE with high ionic conductivity and excellent transmission channels is synthesized with poly(vinylidene fluoride‐co‐hexafluoropropylene) (PVDF−HFP) as the base material blended with the water‐insoluble ionic liquid N‐methyl‐N‐butyl piperidine difluoromethylimide ([PP14][TFSI]) by using a phase‐inversion technique. A polydopamine coating is then introduced into the GPE to improve wettability and compatibility. The thermal decomposition temperature of the prepared gel‐polymer films is greater than 450 °C. Our activated GPE achieves good safety, a wide electrochemical window, and high ionic conductivity. When testing a sodium‐ion battery with Prussian blue as the cathode, the batteries show good cycling performance. Our results suggest that the as‐prepared GPE can be efficiently and safely used in sodium‐ion batteries.
Enzymatic Cell‐Surface Decoration with Proteins using Amphiphilic Lipid‐Fused Peptide Substrates
Authors: Takahara Mari , Wakabayashi Rie , Fujimoto Naoki , Minamihata Kosuke , Goto Masahiro , Kamiya Noriho 
Published: March 2019

AbstractLipid modification of proteins plays a significant role in the activation of cellular signals such as proliferation. Thus, the demand for lipidated proteins is rising. However, getting a high yield and purity of lipidated proteins has been challenging. We developed a strategy for modifying proteins with a wide variety of synthetic lipids using microbial transglutaminase (MTG), which catalyzes the cross‐linking reaction between a specific glutamine (Q) in a protein and lysine (K) in the lipid‐fused peptide. The synthesized lipid‐G3S‐MRHKGS lipid (lipid: fatty acids, tocopherol, lithocholic acid, cholesterol) was successfully conjugated to a protein fused with LLQG (Q‐tagged protein) by an MTG reaction, yielding >90 % conversion of the Q‐tagged protein in a lipidated form. The purified lipid–protein conjugates were used for labeling the cell membrane in vitro, resulting in best‐anchoring ability of cholesterol modification. Furthermore, in situ cell‐surface decoration with the protein was established in a simple manner: subjection of cells to a mixture of cholesterol‐fused peptides, Q‐tagged proteins and MTG.
Stereoselective Synthesis of Vinylboronates by Rh‐Catalyzed Borylation of Stereoisomeric Mixtures
Authors: Li Shenhuan , Li Jie , Xia Tianlai , Zhao Wanxiang 
Published: March 2019

Summary of main observation and conclusionThe stereoselective preparation of vinylboronates via rhodium‐catalyzed borylation of E/Z mixtures of vinyl actetates is described, and this method was also extended to synthesis of vinyldiboronates. These transformations feature high functional group compatibility and mild reaction conditions. Control experiments support a mechanism that involved a Rh‐catalyzed borylation‐isomerization sequence. The isomerization of (Z)‐vinylboronates to (E)‐isomers was also demonstrated.
Synthesis and Biological Evaluation of RGD and isoDGR–Monomethyl Auristatin Conjugates Targeting Integrin αVβ3
Authors: Raposo Moreira Dias André , Bodero Lizeth , Martins Ana , Arosio Daniela , Gazzola Silvia , Belvisi Laura , Pignataro Luca , Steinkühler Christian , Dal Corso Alberto , Gennari Cesare , Piarulli Umberto 
Published: March 2019

AbstractThis work reports the synthesis of a series of small‐molecule–drug conjugates containing the αVβ3‐integrin ligand cyclo[DKP‐RGD] or cyclo[DKP‐isoDGR], a lysosomally cleavable Val‐Ala (VA) linker or an “uncleavable” version devoid of this sequence, and monomethyl auristatin E (MMAE) or F (MMAF) as the cytotoxic agent. The conjugates were obtained via a straightforward synthetic scheme taking advantage of a copper‐catalyzed azide–alkyne cycloaddition as the key step. The conjugates were tested for their binding affinity for the isolated αvβ3 receptor and were shown to retain nanomolar IC50 values, in the same range as those of the free ligands. The cytotoxic activity of the conjugates was evaluated in cell viability assays with αvβ3 integrin overexpressing human glioblastoma (U87) and human melanoma (M21) cells. The conjugates possess markedly lower cytotoxic activity than the free drugs, which is consistent with inefficient integrin‐mediated internalization. In almost all cases the conjugates featuring isoDGR as integrin ligand exhibited higher potency than their RGD counterparts. In particular, the cyclo[DKP‐isoDGR]‐VA‐MMAE conjugate has low nanomolar IC50 values in cell viability assays with both cancer cell lines tested (U87: 11.50±0.13 nm; M21: 6.94±0.09 nm) and is therefore a promising candidate for in vivo experiments.