bluuebunny/crossref_metadata_2025_split huggingface dataset:
Indium‐katalysierte Transferhydrierung zur reduktiven Cyclisierung von 2‐Alkinylenonen zu trisubstituierten Furanen
Authors: Li Luomo , Kail Sascha , Weber Sebastian M. , Hilt Gerhard 
Published: September 2021

AbstractIndiumtribromid katalysiert die Transferhydrierung von dihydroaromatischen Verbindungen, wie etwa dem kommerziell erhältlichen γ‐Terpinen, auf Enone, wodurch eine Cyclisierung zu trisubstituierten Furanen realisiert wird. Die Reaktion wird durch eine Michael‐Addition eines Hydrid‐Nukleophils auf die Enon‐Einheit initiiert, gefolgt von einer Lewis‐Säure‐vermittelten Cyclisierung sowie der Bildung eines Furan‐Indium‐ und eines Wheland‐Intermediats, das aus der dihydroaromatischen Verbindung hervorgeht. Das Produkt wird durch eine Proto‐Deindinierung mithilfe des Wheland‐Komplexes gebildet. Durch den Einsatz von positionsspezifisch deuterierten, dihydroaromatischen HD‐Surrogaten konnten positionsspezifische Deuterium‐substituierte Produkte gebildet werden, die Einblick in den Reaktionsmechanismus gaben.
Chemical Vapor Deposition of Ionic Liquids for the Fabrication of Ionogel Films and Patterns
Authors: Obst Martin , Arnauts Giel , Cruz Alexander John , Calderon Gonzalez Maider , Marcoen Kristof , Hauffman Tom , Ameloot Rob 
Published: September 2021

AbstractFilm deposition and high‐resolution patterning of ionic liquids (ILs) remain a challenge, despite a broad range of applications that would benefit from this type of processing. Here, we demonstrate for the first time the chemical vapor deposition (CVD) of ILs. The IL‐CVD method is based on the formation of a non‐volatile IL through the reaction of two vaporized precursors. Ionogel micropatterns can be easily obtained via the combination of IL‐CVD and standard photolithography, and the resulting microdrop arrays can be used as microreactors. The IL‐CVD approach will facilitate leveraging the properties of ILs in a range of applications and microfabricated devices.
Construction of Function‐Oriented Core–Shell Nanostructures in Hydrogen‐Bonded Organic Frameworks for Near‐Infrared‐Responsive Bacterial Inhibition
Authors: Liu Bai‐Tong , Pan Xiao‐Hong , Zhang Ding‐Yang , Wang Rui , Chen Jun‐Yu , Fang Han‐Ru , Liu Tian‐Fu 
Published: September 2021

AbstractExploration of effective ways to integrate various functional species into hydrogen‐bonded organic frameworks (HOFs) is critically important for their applications but highly challenging. In this study, according to the “bottle‐around‐ship” strategy, core–shell heterostructure of upconversion nanoparticles (UCNPs) and HOFs was fabricated for the first time via a ligand‐grafting stepwise method. The UCNPs “core” can effectively upconvert near‐infrared (NIR) irradiation (980 nm) into visible light (540 nm and 653 nm), which further excites the perylenediimide‐based HOF “shell” through resonance energy transfer. In this way, the nanocomposite inherits the high porosity, excellent photothermal and photodynamic efficiency, NIR photoresponse from two parent materials, achieving intriguing NIR‐responsive bacterial inhibition toward Escherichia coli. This study may shed light on the design of functional HOF‐based composite materials, not only enriching the HOF library but also broadening the horizon of their potential applications.
Synthesis of Pharmaceutically Relevant 2‐Aminotetralin and 3‐Aminochroman Derivatives via Enzymatic Reductive Amination
Authors: Citoler Joan , Harawa Vanessa , Marshall James R. , Bevinakatti Han , Finnigan James D. , Charnock Simon J. , Turner Nicholas J. 
Published: September 2021

Abstract2‐Aminotetralin and 3‐aminochroman derivatives are key structural motifs present in a wide range of pharmaceutically important molecules. Herein, we report an effective biocatalytic approach towards these molecules through the enantioselective reductive coupling of 2‐tetralones and 3‐chromanones with a diverse range of primary amine partners. Metagenomic imine reductases (IREDs) were employed as the biocatalysts, obtaining high yields and enantiocomplementary selectivity for >15 examples at preparative scale, including the precursors to Ebalzotan, Robalzotan, Alnespirone and 5‐OH‐DPAT. We also present a convergent chemo‐enzymatic total synthesis of the Parkinson's disease therapy Rotigotine in 63 % overall yield and 92 % ee.
Visualization of Vaccine Dynamics with Quantum Dots for Immunotherapy
Authors: Sun Junlin , Liu Feng , Yu Wenqian , Fu Dandan , Jiang Qunying , Mo Fengye , Wang Xiuyuan , Shi Tianhui , Wang Fuan , Pang Dai‐Wen , Liu Xiaoqing 
Published: September 2021

AbstractThe direct visualization of vaccine fate is important to investigate its immunoactivation process to elucidate the detailed molecular reaction process at single‐molecular level. Yet, visualization of the spatiotemporal trafficking of vaccines remains poorly explored. Here, we show that quantum dot (QD) nanomaterials allow for monitoring vaccine dynamics and for amplified immune response. Synthetic QDs enable efficient conjugation of antigen and adjuvants to target tissues and cells, and non‐invasive imaging the trafficking dynamics to lymph nodes and cellular compartments. The nanoparticle vaccine elicits potent immune responses and anti‐tumor efficacy alone or in combination with programmed cell death protein 1 blockade. The synthetic QDs showed high fluorescence quantum yield and superior photostability, and the reliable and long‐term spatiotemporal tracking of vaccine dynamics was realized for the first time by using the synthetic QDs, providing a powerful strategy for studying immune response and evaluating vaccine efficacy.
Effect of Surfactants on the Molecular Structure of the Buried Oil/Water Interface
Authors: Hosseinpour Saman , Götz Vanessa , Peukert Wolfgang 
Published: September 2021

AbstractThe oil/water interface, for instance in emulsions, is often stabilized by surfactants. Hence, the co‐existence of oil, water, and surfactant molecules at the buried oil/water interface determines macroscopic properties such as surface tension or emulsion stability. Utilizing an inherently surface sensitive spectroscopic method, sum frequency generation (SFG) spectroscopy, we show that adsorption of an anionic surfactant to the buried oil/water interface increases the magnitude of the interfacial electric field. Meanwhile, the degree of ordering of the interfacial oil molecules increases with the surfactant concentration owing to the intercalation of aliphatic chains of interfacial oil and surfactant molecules. At sufficiently high surfactant concentrations, the interfacial charge reaches a maximum value and the interfacial oil molecules arrange in a fully ordered conformation, a state which coincides with the significant decrease in interfacial tension and increased emulsion stability.
Synthesis of α‐Amino Tertiary Alkylperoxides by Lewis Acid‐Catalyzed Peroxidation of 1,3,5‐Triazines
Authors: Liu Lijuan , Shi Zhichao , Zhang Xun , Zhan Feng , Lin Jin‐Shun , Jiang Yuyang 
Published: September 2021

Abstractα‐Substituted peroxides have been found in natural products and are widely used as anti‐malarial agents. Zn(OTf)2‐catalyzed peroxidation of 1,3,5‐triazines has been developed, accessing diversely substituted α‐amino tertiary alkylperoxides with high efficiency. Mechanistic investigations and useful synthetic application of the products have also been presented.
An integrated biomimetic array chip for establishment of collagen‐based 3D primary human hepatocyte model for prediction of clinical drug‐induced liver injury
Authors: Xiao Rong‐Rong , Lv Tian , Tu Xia , Li Peiwen , Wang Tiantian , Dong Haiheng , Tu Pengfei , Ai Xiaoni 
Published: September 2021

AbstractDrug‐induced liver injury (DILI) is a leading cause of therapy failure in the clinic and also contributes much to acute liver failure cases. Investigations of predictive sensitivity in animal models have limitations due to interspecies differences. Previously reported in vitro models of liver injury based on primary human hepatocytes (PHHs) cannot meet the requirements of high physiological fidelity, low cost, simple operation, and high throughput with improved sensitivity. Herein, we developed an integrated biomimetic array chip (iBAC) for establishing extracellular matrix (ECM)‐based models. A collagen‐based 3D PHH model was constructed on the iBAC as a case for the prediction of clinical DILI at throughput. The iBAC has a three‐layer structure with a core component of 3D implanting holes. At an initial cell seeding numbers of 5000–10,000, the collagen‐based 3D PHH model was optimized with improved and stabilized liver functionality, including cell viability, albumin, and urea production. Moreover, basal activities of most metabolic enzymes on the iBAC were maintained for at least 12 days. Next, a small‐scale hepatotoxicity screening indicated that the 3D PHH model on the iBAC was more sensitive for predicting hepatotoxicity than the 2D PHH model on the plate. Finally, a large‐scale screening of liver toxicity using 122 clinical drugs further demonstrated that the collagen‐based 3D PHH model on the iBAC had superior predictive sensitivity compared to all previously reported in vitro models. These results indicated the importance of 3D collagen for liver physiological functionality and hepatotoxicity prediction. We anticipant it being a promising tool for risk assessment of drug‐induced hepatotoxicity with a widespread acceptance in drug industry.
Electrochemically induced deposition of hydroxyl‐terminated poly(amidoamine) dendrimers encapsulating Pt nanoparticles on indium tin oxide for enhanced electrochemiluminescence
Authors: Kim Jiwoo , Kim Joohoon 
Published: September 2021

AbstractWe reported the electrochemically induced deposition of hydroxyl‐terminated poly(amidoamine) dendrimers encapsulating Pt nanoparticles on the surface of indium tin oxide (ITO). The electrochemical deposition led to significantly high surface coverage of Pt nanoparticles encapsulated inside the dendrimers on ITO surfaces, which allowed enhanced (i.e., ca. 212‐fold) electrochemiluminescence of Ru(bpy)32+/tripropylamine on the modified ITOs compared to unmodified ITO.
Maternal and fetal metabolomic alterations in maternal lipopolysaccharide exposure‐induced male offspring glucose metabolism disorders
Authors: Qing Qiting , Huang Lili , Sun Wanxiao , Chen Jing , Yu Ningning , Chen Yuanhua , Xu Dexiang , Zhao Mei 
Published: September 2021

AbstractMaternal lipopolysaccharide (LPS) exposure during pregnancy induces metabolic abnormalities in male offspring, but the underlying mechanisms remain unclear. The purpose of this study was to investigate the effects of maternal LPS exposure during pregnancy on metabolic profiling of maternal serum and male fetal liver using Liquid Chromatograph Mass Spectrometer techniques. From day 15 to day 17 of gestation, pregnant mice were administered intraperitoneal LPS (experimental group) (50 μg/kg/d) or saline (control group). On day 18 of gestation, maternal serum and male fetal liver were collected. After LPS exposure, levels of 38 and 75 metabolites, mainly glycerophospholipid and fatty acid metabolites, were altered in maternal serum and male fetal liver, respectively. It was found that in maternal serum and male fetal livers, the glycerophospholipids containing saturated fatty acids (SFAs) and the SFAs were upregulated, while the glycerophospholipids containing polyunsaturated fatty acids (PUFAs) and the PUFAs were downregulated. This concordance between maternal and fetal alterations in glycerophospholipid and fatty acid metabolites may be a metabolomic signature of the early intrauterine period and may provide insight into the mechanisms by which maternal LPS exposure induces disorders of glucose metabolism in male offspring.
Expression of telomerase reverse transcriptase in peripheral T‐cell lymphoma
Authors: Arakawa Fumiko , Miyoshi Hiroaki , Yoshida Noriaki , Nakashima Kazutaka , Watatani Yosaku , Furuta Takuya , Yamada Kyohei , Moritsubo Mayuko , Takeuchi Mai , Yanagida Eriko , Shimasaki Yasumasa , Kohno Kei , Kataoka Keisuke , Ohshima Koichi 
Published: September 2021

AbstractTelomere length is maintained by the activation of telomerase, which causes continuous cell division and proliferation in many carcinomas. A catalytic reverse transcriptase protein (TERT) encoded by the TERT gene plays a critical role in the activation of telomerase. We performed a molecular and pathological analysis of the TERT against three different peripheral T‐cell lymphoma (PTCL) subtypes: PTCL, not otherwise specified (PTCL‐NOS), angioimmunoblastic T‐cell lymphoma (AITL), and adult T‐cell leukemia/lymphoma (ATLL). Immunohistochemical analysis demonstrated TERT expression in 31% of AITL, 11% of PTCL‐NOS, and 5% of ATLL. Among them, AITL frequently showed high TERT expression with statistical significance. TERT promoter mutation analysis and genomic copy number evaluation were performed. TERT promoter mutation was observed in two cases of PTCL‐NOS (2/40) and not in other PTCLs. Genome copy number amplification was detected in 33% of PTCL‐NOS, 33% of AITL, and 50% of ATLL cases. We evaluated the relationship between the analyzed TERT genomic abnormalities and protein expression; however, no apparent relationship was observed. Furthermore, immunostaining showed TERT expression in the PTCL cytoplasm, suggesting the existence of mechanisms other than the maintenance of telomere length. Statistical analysis of the effect of TERT expression on the prognosis in PTCL cases revealed that TERT expression tended to have a poor prognosis in PTCL‐NOS. Since TERT expression was not an independent factor in multivariate analysis, further research will be needed to clarify the poor prognosis of PTCL‐NOS in TERT expression.
Predictors of asthma‐related quality of life in a large cohort of asthmatics: A cross‐sectional study in a secondary care center
Authors: Louis Gilles , Pétré Benoit , Schleich Florence , Zahraei Halehsadat Nekoee , Donneau Anne‐Françoise , Silvestre Aude , Henket Monique , Paulus Virginie , Guissard Françoise , Guillaume Michèle , Louis Renaud 
Published: September 2021

AbstractBackgroundIn recent decades, asthma‐related quality of life questionnaires have joined objective clinical indicators as important outcome measures. In this study, we sought to investigate the predictors of asthma‐related quality of life in a large cohort of patients recruited from a secondary care center.MethodsWe conducted a cross‐sectional study on asthmatics (N = 1301) recruited from the Liège University Hospital asthma clinic (Belgium). After performing a descriptive analysis highlighting the distribution of scores from the Mini Asthma Quality of Life Questionnaire (Mini AQLQ) and its four dimensions (symptoms, activity limitation, emotional function, and environmental stimuli), we did multiple regression analysis to identify the independent predictors of AQLQ.ResultsMultiple regression beta analysis showed that AQLQ and its four dimensions were primarily associated with asthma control (p < 0.0001 in all instances). Female gender was associated with a lower score for the AQLQ's activity and environmental dimensions (p < 0.05 for both), while current smokers had a higher score on the AQLQ's environmental dimension (p < 0.0001). The burden of asthma treatment was associated with a lower score for the AQLQ's emotional (p < 0.05) and environmental (p < 0.05) dimensions. BMI was associated with a lower score in the AQLQ's activity dimension (p < 0.0001), while the opposite was true for the FeNO test (p < 0.0001). Sputum neutrophils were inversely related to the score for the AQLQ's symptom dimension (p < 0.05), whereas post‐bronchodilator FEV1 showed a positive relationship for that same dimension (p < 0.05).ConclusionAsthma control is the main predictor of AQLQ score and impacts all its dimensions, but demographic, functional, and airway inflammatory parameters may also influence some dimensions of the AQLQ.
Social determinants of health and cancer mortality in the Reasons for Geographic and Racial Differences in Stroke (REGARDS) cohort study
Authors: Pinheiro Laura C. , Reshetnyak Evgeniya , Akinyemiju Tomi , Phillips Erica , Safford Monika M. 
Published: September 2021

BackgroundSocial determinants of health (SDOHs) cluster together and can have deleterious impacts on health outcomes. Individually, SDOHs increase the risk of cancer mortality, but their cumulative burden is not well understood. The authors sought to determine the combined effect of SDOH on cancer mortality.MethodsUsing the Reasons for Geographic and Racial Differences in Stroke (REGARDS) cohort, the authors studied 29,766 participants aged 45+ years and followed them 10+ years. Eight potential SDOHs were considered, and retained SDOHs that were associated with cancer mortality (P < .10) were retained to create a count (0, 1, 2, 3+). Cox proportional hazard models estimated associations between the SDOH count and cancer mortality through December 31, 2017, adjusting for confounders. Models were age‐stratified (45‐64 vs 65+ years).ResultsParticipants were followed for a median of 10.6 years (interquartile range [IQR], 6.5, 12.7 years). Low education, low income, zip code poverty, poor public health infrastructure, lack of health insurance, and social isolation were significantly associated with cancer mortality. In adjusted models, among those <65 years, compared to no SDOHs, having 1 SDOH (adjusted hazard ratio [aHR], 1.39; 95% CI, 1.11‐1.75), 2 SDOHs (aHR, 1.61; 95% CI, 1.26‐2.07), and 3+ SDOHs (aHR, 2.09; 95% CI, 1.58‐2.75) were associated with cancer mortality (P for trend <.0001). Among individuals 65+ years, compared to no SDOH, having 1 SDOH (aHR, 1.16; 95% CI, 1.00‐1.35) and 3+ SDOHs (aHR, 1.26; 95% CI, 1.04‐1.52) was associated with cancer mortality (P for trend = .032).ConclusionsA greater number of SDOHs were significantly associated with an increased risk of cancer mortality, which persisted after adjustment for confounders.
The role of self‐compassion on the relationship between trauma and hearing voices
Authors: Maisey Sarah , Correia Helen , Paulik Georgie 
Published: September 2021

AbstractTraumatic life events are associated with increased risk of hearing voices and posttraumatic stress (PTS) symptoms have been implicated in this relationship. Studies indicate that increased self‐compassion is associated with reduced PTS symptoms and voice‐distress. The present study sought to examine whether self‐compassion moderated the relationship between PTS symptoms and voice‐distress. Self‐report and clinician‐administered questionnaires were used to measure self‐compassion, PTS symptom severity, voice‐frequency, and voice‐distress in 62 trauma‐affected voice‐hearers who presented to a community voice‐hearing clinic. Correlation analyses revealed that PTS symptom severity was positively correlated with voice‐distress, but not voice‐frequency, and that self‐compassion was negatively correlated with voice‐distress and PTS symptom severity. While self‐compassion did not moderate the relationship between PTS symptom severity and voice‐distress, it was associated with a significant reduction in voice‐distress, at all levels of PTS symptom severity. Preliminary findings suggest self‐compassion may play an important role in reducing voice‐distress and thus warrant further consideration of self‐compassion as a target in treatment for help‐seeking voice‐hearers.
BASE: A novel workflow to integrate nonubiquitous genes in comparative genomics analyses for selection
Authors: Forni Giobbe , Ruggieri Angelo Alberto , Piccinini Giovanni , Luchetti Andrea 
Published: September 2021

AbstractInferring the selective forces that orthologous genes underwent across different lineages can help us understand the evolutionary processes that have shaped their extant diversity and the phenotypes they underlie. The most widespread metric to estimate the selection regimes of coding genes—across sites and phylogenies—is the ratio of nonsynonymous to synonymous substitutions (dN/dS, also known as ω). Nowadays, modern sequencing technologies and the large amount of already available sequence data allow the retrieval of thousands of orthologous genes across large numbers of species. Nonetheless, the tools available to explore selection regimes are not designed to automatically process all genes, and their practical usage is often restricted to the single‐copy ones which are found across all species considered (i.e., ubiquitous genes). This approach limits the scale of the analysis to a fraction of single‐copy genes, which can be as low as an order of magnitude in respect to those which are not consistently found in all species considered (i.e., nonubiquitous genes). Here, we present a workflow named BASE that—leveraging the CodeML framework—eases the inference and interpretation of gene selection regimes in the context of comparative genomics. Although a number of bioinformatics tools have already been developed to facilitate this kind of analyses, BASE is the first to be specifically designed to allow the integration of nonubiquitous genes in a straightforward and reproducible manner. The workflow—along with all relevant documentation—is available at github.com/for‐giobbe/BASE.
Bimodal activity of diurnal flower visitation at high elevation
Authors: Xu Xin , Ren Zong‐Xin , Trunschke Judith , Kuppler Jonas , Zhao Yan‐Hui , Knop Eva , Wang Hong 
Published: September 2021

AbstractSuccessful pollination in animal‐pollinated plants depends on the temporal overlap between flower presentation and pollinator foraging activity. Variation in the temporal dimension of plant–pollinator networks has been investigated intensely across flowering seasons. However, over the course of a day, the dynamics of plant–pollinator interactions may vary strongly due environmental fluctuations. It is usually assumed there is a unimodal, diurnal, activity pattern, while alternative multimodal types of activity patterns are often neglected and deserve greater investigation. Here, we quantified the daily activity pattern of flower visitors in two different habitats contrasting high elevation meadows versus forests in Southwest China to investigate the role of abiotic conditions in the temporal dynamics of plant–pollinator interactions. We examined diurnal activity patterns for the entire pollinator community. Pollinator groups may differ in their ability to adapt to habitats and abiotic conditions, which might be displayed in their patterns of activity. We hypothesized that (a) pollinator communities show multimodal activity patterns, (b) patterns differ between pollinator groups and habitat types, and (c) abiotic conditions explain observed activity patterns. In total, we collected 4,988 flower visitors belonging to six functional groups. There was a bimodal activity pattern when looking at the entire pollinator community and in five out of six flower visitor groups (exempting solitary bees) regardless of habitat types. Bumblebees, honeybees, dipterans, lepidopterans, and other insects showed activity peaks in the morning and afternoon, whereas solitary bees were most active at midday. Activity of all six pollinator groups increased as solar radiation increased and then decreased after reaching a certain threshold. Our findings suggest that in habitats at higher elevations, a bimodal activity pattern of flower visitation is commonly employed across most pollinator groups that are diurnal foragers. This pattern may be caused by insects avoiding overheating due to elevated temperatures when exposed to high solar radiation at midday.