bluuebunny/crossref_metadata_2025_split huggingface dataset:
Fluorinated Ionic Liquid Based Multicolor 19F MRI Nanoprobes for In Vivo Sensing of Multiple Biological Targets
Authors: Zhu Xianglong , Xiong Hehe , Wang Sitian , Li Yanyan , Chi Jingxian , Wang Xuefei , Li Tiantian , Zhou Qiuju , Gao Jinhao , Shi Saige 
Published: December 2021

AbstractMulticolor imaging, which maps the distribution of different targets, is important for in vivo molecular imaging and clinical diagnosis. Fluorine 19 magnetic resonance imaging (19F MRI) is a promising technique because of unique insights without endogenous background or tissue penetration limit. Thus multicolor 19F MRI probes, which can sense a wide variety of molecular species, are expected to help elucidate the biomolecular networks in complex biological systems. Here, a versatile model of activatable probes based on fluorinated ionic liquids (ILs) for multicolor 19F MRI is reported. Three types of ILs at different chemical shifts are loaded in nanocarriers and sealed by three stimuli‐sensitive copolymers, leading to “off” 19F signals. The coating polymers specifically respond to their environmental stimuli, then degrade to release the loaded ILs, causing 19F signals recovery. The nanoprobes are utilized for non‐invasive detection of tumor hallmarks, which are distinguished by their individual colors in one living mouse, without interference between each other. This multicolor imaging strategy, which adopts modular construction of various ILs and stimuli‐responsive polymers, will allow more comprehensive sensing of multiple biological targets, thus, opening a new realm in mechanistic understanding of complex pathophysiologic processes in vivo.
Indomethacin Polymorph δ Revealed To Be Two Plastically Bendable Crystal Forms by 3D Electron Diffraction: Correcting a 47‐Year‐Old Misunderstanding**
Authors: Lightowler Molly , Li Shuting , Ou Xiao , Zou Xiaodong , Lu Ming , Xu Hongyi 
Published: December 2021

AbstractIndomethacin is a clinically classical non‐steroidal anti‐inflammatory drug that has been marketed since 1965. The third polymorph, Form δ, was discovered by both melt and solution crystallization in 1974. δ‐indomethacin cannot be cultivated as large single crystals suitable for X‐ray crystallography and, therefore, its crystal structure has not yet been determined. Here, we report the structure elucidation of δ‐indomethacin by 3D electron diffraction and reveal the truth that melt‐crystallized and solution‐crystallized δ‐indomethacin are in fact two polymorphs with different crystal structures. We propose to keep the solution‐crystallized polymorph as Form δ and name the melt‐crystallized polymorph as Form θ. Intriguingly, both structures display plastic flexibility based on a slippage mechanism, making indomethacin the first drug to have two plastic polymorphs. This discovery and correction of a 47‐year‐old misunderstanding signify that 3D electron diffraction has become a powerful tool for polymorphic structural studies.
Highly efficient catalytic transfer hydrogenation of 5‐hydroxymethylfurfural to 2,5‐dimethylfuran over CuxZnAl catalysts
Authors: Wang Tong , Li Fang , Xue Wei , Wang Yanji 
Published: December 2021

AbstractTransformation of biomass‐based feedstocks to fuels or valuable chemicals is of great importance to reduce our reliance on fossil resources. In this work, 2,5‐dimethylfuran (DMF) production through catalytic transfer hydrogenation of 5‐hydroxymethylfurfural (5‐HMF) in liquid phase was investigated over ternary CuxZnAl catalysts using isopropanol as hydrogen donor. The excellent catalytic performance of the CuxZnAl catalysts can be attributed to the well‐dispersed Cu species with optimal proportions of Cu2+, Cu0, and Cu+. The synergistic effect of Cu0 and Cu+ is proposed to be responsible for the high hydrogenation/hydrogenolysis activity of 5‐HMF. Using the Cu2ZnAl‐600‐300 catalyst (calcinated at 600°C and reduced at 300°C), 91.7% DMF yield was achieved under 180°C within 4 h. High‐resolution transmission electron microscopy, energy‐dispersive X‐ray spectroscopy, X‐ray diffraction, H2 temperature‐programmed reduction, NH3 temperature‐programmed desorption, and X‐ray photoelectron spectroscopy were performed to investigate the structure–performance relationship and the reasons for the high catalytic performance of Cu2ZnAl‐600‐300.
Long‐term efficiency for reducing entanglements of nascent polyethylene by a polystyrene‐modified Ziegler‐Natta catalyst
Authors: Cao Yu , Wu Yanjie , Tang Xin , Zhou Qi , Stapf Siegfried , Mattea Carlos , Li Wei 
Published: December 2021

AbstractThe weakly entangled ultrahigh molecular weight polyethylene (UHMWPE) was synthesized by a Ziegler‐Natta catalyst, where the titanium tetrachloride was anchored on the polystyrene (PS)‐modified silica. The PS chains were successfully incorporated into silica hierarchical pores even with the size less than 10 nm through the in situ free‐radical polymerization of styrene. The self‐diffusion coefficient and crystallization of probing molecules inside the pores were investigated by the pulsed field gradient NMR and thermoporosimetry to address the swollen behavior of incorporated PS blocks. This PS blocks compartmentalized the polyethylene chains, where the less entangled UHMWPE was synthesized with an exceptional activity at 70°C. The ubiquitous PS isolators effectively hindered the formation of chains overlaps during the polymerization, showing a long‐term efficiency to reduce the entanglements of nascent UHMWPE even at 4 h of polymerization The toughness/stiffness/strength balance of weakly entangled UHMWPE was significantly improved.
Power considerations for generalized estimating equations analyses of four‐level cluster randomized trials
Authors: Wang Xueqi , Turner Elizabeth L. , Preisser John S. , Li Fan 
Published: December 2021

AbstractIn this article, we develop methods for sample size and power calculations in four‐level intervention studies when intervention assignment is carried out at any level, with a particular focus on cluster randomized trials (CRTs). CRTs involving four levels are becoming popular in healthcare research, where the effects are measured, for example, from evaluations (level 1) within participants (level 2) in divisions (level 3) that are nested in clusters (level 4). In such multilevel CRTs, we consider three types of intraclass correlations between different evaluations to account for such clustering: that of the same participant, that of different participants from the same division, and that of different participants from different divisions in the same cluster. Assuming arbitrary link and variance functions, with the proposed correlation structure as the true correlation structure, closed‐form sample size formulas for randomization carried out at any level (including individually randomized trials within a four‐level clustered structure) are derived based on the generalized estimating equations approach using the model‐based variance and using the sandwich variance with an independence working correlation matrix. We demonstrate that empirical power corresponds well with that predicted by the proposed method for as few as eight clusters, when data are analyzed using the matrix‐adjusted estimating equations for the correlation parameters with a bias‐corrected sandwich variance estimator, under both balanced and unbalanced designs.
Pyruvate kinase M2 (PKM2) improve symptoms of post‐ischemic stroke depression by activating VEGF to mediate the MAPK/ERK pathway
Authors: Feng Yun , Li Xuebin , Wang Jie , Huang Xiaohua , Meng Lanqing , Huang Jianmin 
Published: December 2021

AbstractPurposeTo evaluate and identify the effects and explore the mechanisms of pyruvate kinase M2 (PKM2) on stroke‐induced post stroke depression (PSD).MethodsRats were separated into six different groups, including sham + saline, Stroke + saline, PSD + saline, PSD + recombinant pyruvate kinase M2 (rPKM2) (112 ng/kg), PSD + rPKM2 (224 ng/kg), and PSD + rPKM2 (224 ng/kg) + bevacizumab. Then, the body weight, sucrose preference rate, immobility time, horizontal movement, and vertical movement were determined to evaluate the effect of PKM2 on improving the depressive behavior of PSD rats. Subsequently, the proliferation of oligodendrocytes in subventricular zone (SVZ) of rats in each group was examined by western blot and immunofluorescent staining. Furthermore, the mRNA and protein expression levels of TNF‐α, IL‐6, and IL‐1β were also detected by qPCR and ELISA to verify the anti‐inflammatory effects of PKM2 on PSD rats. In addition, the protein expression levels of MDA, LDH, and NO were tested to reveal that PKM2 can reduce oxidative stress in PSD rats. The western blot and IHC assays were employed to examine the protein expression levels of VEGF, PKM2, and ERK in PSD rats.ResultsIn this study, the results showed that PKM2 can improve the depressive behavior and proliferation of oligodendrocytes in PSD rats. In addition, PKM2 has anti‐inflammatory and anti‐oxidative stress effects on PSD rats. Meanwhile, PKM2 activated the expression level of VEGF/MAPK/ERK pathway.ConclusionPKM2 improves symptoms of post‐ischemic stroke depression by activating VEGF‐mediated MAPK/ERK pathway.
Illness perception characteristics and influencing factors in adult patients with myasthenia gravis in China
Authors: Xu Le , Wang Xia , Cui Yafeng , Tian Yanghua , Zhou Nong , Zhang Juanjuan , Ji Hiaxia , Cheng Xiumei , Zhang Qin , Li Qingfeng , Hu Panpan , Zhang Long 
Published: December 2021

AbstractObjectiveWe aimed to examine the illness perception characteristics of patients with myasthenia gravis and analyze the associated factors.MethodsA general information questionnaire, Illness Perception Questionnaire, and Simplified Coping Style Questionnaire were used to survey 90 patients with myasthenia gravis. One‐way analysis of variance and multivariate linear regression were used for statistical analysis.ResultsThe timeline (acute/chronic), consequence, and emotional representation scores of patients with myasthenia gravis were 18.31 ± 4.47, 18.58 ± 3.57, and 20.80 ± 4.56, respectively. Multivariate stepwise linear regression analysis showed that marital status, disease duration, educational level, disease type, and coping style are factors associated with illness perception in patients with myasthenia gravis.ConclusionPatients who have myasthenia gravis have a negative illness perception. Medical professionals should provide targeted intervention measures based on the factors associated with illness perception.
Analysis of CDK12 alterations in a pan‐cancer database
Authors: Pan Elizabeth , Cabal Angelo , Javier‐DesLoges Juan , Patel Devin , Panian Justine , Lee Suzanna , Shaya Justin , Nonato Taylor , Xu Xiaojun , Stewart Tyler , Rose Brent , Shabaik Ahmed , Cohen Ezra , Kurzrock Razelle , Tamayo Pablo , McKay Rana R. 
Published: December 2021

AbstractBackgroundCDK12 inactivation leading to increased neoantigen burden has been hypothesized to sensitize tumors to immune checkpoint inhibition. Pan‐cancer data regarding the frequency of CDK12 alterations are limited. We aimed to characterize CDK12 alterations across all cancer types through real‐world clinical‐grade sequencing.MethodsThis was a single‐center retrospective analysis of 4994 cancer patients who underwent tissue or blood genomic profiling, including CDK12 assessment, conducted as part of routine care from December 2012 to January 2020. Prevalence, clinical characteristics, and treatment outcomes of patients with tumors with pathogenic CDK12 alterations were described.ResultsIn all, 39 (0.78%, n = 39/4994) patients had pathogenic CDK12 alterations. Among CDK12‐altered tumors, the most common organ site was prostate (n = 9, 23.1%) followed by colorectal (n = 5, 12.8%). Adenocarcinoma was the most common histology (n = 26, 66.7%). Median follow‐up from time of diagnosis was 4.02 years. Median overall survival from time of metastasis was 4.43 years (95% CI: 3.11–5.74). Ten patients with CDK12‐altered tumors received at least one immune checkpoint inhibitor‐containing regimen. The majority of patients (n = 6/10, 60%) experienced an objective response. Progression‐free survival for patients who had metastatic disease and received a checkpoint inhibitor‐containing regimen was 1.16 years (95% CI: 0.32–2.00).ConclusionCDK12 alterations are rare events across hematologic and solid tumor malignancies. They represent a clinically distinct molecular cancer subtype which may have increased responsiveness to checkpoint inhibition. Prospective studies are warranted to investigate checkpoint inhibition in CDK12‐altered tumors.
Monitoring the Response of Multiple Signal Network Components to Acute Chemo‐Optogenetic Perturbations in Living Cells
Authors: Kowalczyk Manuela , Kamps Dominic , Wu Yaowen , Dehmelt Leif , Nalbant Perihan 
Published: December 2021

AbstractCells process information via signal networks that typically involve multiple components which are interconnected by feedback loops. The combination of acute optogenetic perturbations and microscopy‐based fluorescent response readouts enables the direct investigation of causal links in such networks. However, due to overlaps in spectra of photosensitive and fluorescent proteins, current approaches that combine these methods are limited. Here, we present an improved chemo‐optogenetic approach that is based on switch‐like perturbations induced by a single, local pulse of UV light. We show that this approach can be combined with parallel monitoring of multiple fluorescent readouts to directly uncover relations between signal network components. We present the application of this technique to directly investigate feedback‐controlled regulation in the cell contraction signal network that includes GEF‐H1, Rho and Myosin, and functional interactions of this network with tumor relevant RhoA G17 mutants.
Atypical presentation of cardiac tamponade in pulmonary hypertension: A case report and review of the literature
Authors: Ansari Aval Zahra , Mirhosseini Seyed Mohsen , Jafari Naeini Sepideh 
Published: December 2021

AbstractA young woman with systemic sclerosis, hypothyroidism, and pulmonary hypertension was admitted to our center with massive pericardial effusion and left ventricular collapse. Despite undergoing successful pericardiocentesis, she passed away a month later. The best therapeutic approach in this situation remains to be determined.
Hierarchically Nitrogen‐doped Porous Carbon‐Supported Non‐noble Metal Nanoparticles for Promoting the Selective Hydrogenation of Furfural
Authors: Sun Lu , Fan Yafei , Chu Jie , Zhou Xiaojian , Zhuang Changfu , Zou Xiaoqin , Min Chungang , Wang Ying , Zhu Guangshan 
Published: December 2021

AbstractThe hydrogenation of biomass into high added‐value chemicals is an efficient way of utilization. However, supported monometallic catalytic systems still show low performance. In this study, different non‐noble metal nanoparticles (NPs) are supported on hierarchically nitrogen‐doped porous carbon (M/HNPC) with high specific surface area and used in the hydrogenation reaction of furfural (FF). The experiment results exhibited that the performance of Ni/HNPC is more superior than Fe, Co and Cu. The DFT results showed that the catalytic activity of Ni/HNPC was strongly related to the intrinsic catalytic performance of Ni metal itself. The Ni/HNPC obtains the 95.2% FF conversion and 94.8% furfuryl alcohol (FOL) selectivity under mild conditions at 110 °C and 4 h, which is mainly due to the synergistic effect between metallic Ni and HNPC support. In addition, the stability of the Ni/HNPC catalyst also has been improved because of the high specific surface area and N‐doped of HNPC support. This work provides an important reference for biomass conversion with a monometallic catalyst by controlling the metal types and supports.
Towards Adsorptive Enrichment of Flavonoids from Honey Using h‐BN Monolayer
Authors: Yu Beijia , Ren Hong , Piao Xianglan 
Published: December 2021

AbstractDensity functional theory (DFT) was used to explore the possibility of h‐BN monolayer acting as an adsorbent for the flavonoids. Four flavonoids named apigenin, kaempferol, myricetin, and quercetin as well as glucose (Glu) were selected as representatives of honey. DFT and ab initio molecular dynamics simulation results show that the four flavonoids interact with the h‐BN monolayer much stronger than the Glu does in both vacuum and solutions, indicating a good adsorptive selectivity of the flavonoids over Glu. The interaction of the flavonoids and the Glu with water as well as the solvation energy of the flavonoids in water, methanol and ethanol was obtained using both the PBE‐D and B3LYP‐D functionals. It is shown that the h‐BN monolayer can provide high selective adsorption of the flavonoids from bee honey and ethanol can be used as an elution solvent to recover the adsorbed flavonoids.
Adult insect personality in the wild—Calopteryx splendens as a model for field studies
Authors: Golab Maria J. , Sniegula Szymon , Antoł Andrzej , Brodin Tomas 
Published: December 2021

AbstractAnimal personality has received increasing interest and acknowledgment within ecological research over the past two decades. However, some areas are still poorly studied and need to be developed. For instance, field studies focused on invertebrates are currently highly underrepresented in the literature. More studies including a wider variety of traits measured and species tested are needed to improve our understanding of trait‐correlation patterns and generalities. We studied nine behavioral traits, in the damselfly Calopteryx splendens, from an array of three experiments: (i) courtship, (ii) aggressiveness, and (iii) boldness, and calculated their repeatability. The behaviors were measured twice in two different contexts: (i) undisturbed territory and (ii) partially deteriorated territory. Traits related to courtship and boldness were all repeatable across the two contexts. Among aggressive behaviors, only one trait (number of hits) was repeatable. This work demonstrates, for the first time, the presence of within‐population personality differences in an adult damselfly in the wild. We further propose C. splendens as a promising model species for testing personality in the wild under highly controlled environmental conditions.
Population genetic structure of wolves in the northwestern Dinaric‐Balkan region
Authors: Šnjegota Dragana , Stronen Astrid Vik , Boljte Barbara , Ćirović Duško , Djan Mihajla , Huber Djuro , Jelenčič Maja , Konec Marjeta , Kusak Josip , Skrbinšek Tomaž 
Published: December 2021

AbstractThe Balkan Peninsula and the Dinaric Mountains possess extraordinary biodiversity and support one of the largest and most diverse wolf (Canis lupus) populations in Europe. Results obtained with diverse genetic markers show west‐east substructure, also seen in various other species, despite the absence of obvious barriers to movement. However, the spatial extent of the genetic clusters remains unresolved, and our aim was to combine fine‐scale sampling with population and spatial genetic analyses to improve resolution of wolf genetic clusters. We analyzed 16 autosomal microsatellites from 255 wolves sampled in Slovenia, Croatia, Bosnia and Herzegovina (BIH), and Serbia and documented three genetic clusters. These comprised (1) Slovenia and the regions of Gorski kotar and Lika in Croatia, (2) the region of Dalmatia in southern Croatia and BIH, and (3) Serbia. When we mapped the clusters geographically, we observed west‐east genetic structure across the study area, together with some specific structure in BIH–Dalmatia. We observed that cluster 1 had a smaller effective population size, consistent with earlier reports of population recovery since the 1980s. Our results provide foundation for future genomic studies that would further resolve the observed west‐east population structure and its evolutionary history in wolves and other taxa in the region and identify focal areas for habitat conservation. They also have immediate importance for conservation planning for the wolves in one of the most important parts of the species’ European range.
Bridging the divide between ecological forecasts and environmental decision making
Authors: Bodner Korryn , Rauen Firkowski Carina , Bennett Joseph R. , Brookson Cole , Dietze Michael , Green Stephanie , Hughes Josie , Kerr Jeremy , Kunegel‐Lion Mélodie , Leroux Shawn J. , McIntire Eliot , Molnár Péter K. , Simpkins Craig , Tekwa Edward , Watts Alexander , Fortin Marie‐Josée 
Published: December 2021

AbstractThe rate of human‐induced environmental change continues to accelerate, stimulating the need for rapid and science‐based decision making. The recent availability of cyberinfrastructure, open‐source data and novel techniques has increased opportunities to use ecological forecasts to predict environmental change. But to effectively inform environmental decision making, forecasts should not only be reliable, but should also be designed to address the needs of decision makers with their assumptions, uncertainties, and results clearly communicated. To help researchers better integrate forecasting into decision making, we outline ten practical guidelines to help navigate the interdisciplinary and collaborative nature of forecasting in social–ecological systems. Some guidelines focus on improving forecasting skills, including how to build better models, account for uncertainties and use technologies to improve their utility, while others are developed to facilitate the integration of forecasts with decision making, including how to form effective partnerships and how to design forecasts relevant to the specific decision being addressed. We hope these guidelines help researchers make forecasts more accurate, precise, transparent, and most pressingly, useful for informing environmental decisions.
VTMaxHerp: A data set of voluntary thermal maximum temperatures of amphibians and reptiles from two Brazilian hotspots
Authors: Díaz‐Ricaurte Juan C. , Serrano Filipe C. , Martins Marcio 
Published: December 2021

AbstractAmphibians and reptiles are ectothermic animals and therefore depend on environmental temperatures to maintain their physiological functions. Despite being poorly documented, data on thermal behavioral thresholds to avoid overheating in their habitats are essential to improve the understanding of their thermal ecology and physiology. Here we provide a data set of 312 individual voluntary thermal maximum (VTMax) values, the maximum temperature tolerated by individuals before actively moving to a colder place, for 53 species of amphibians and reptiles of the Atlantic Forest and Cerrado savannas of southeastern South America. Voluntary thermal maximum values were recorded as the body temperature at which the individuals exited a heating box experimental setup. This data set comprises 25 species of 15 genera and eight families of amphibians and 28 species of 24 genera and 12 families of reptiles. Of the total number of individual records, 67.9% derived from the Cerrado and 32.0% derived from the Atlantic Forest ecoregions. Overall, lizards had higher VTMax than amphibians and snakes, and individuals in the Atlantic Forest had overall higher VTMax values than the ones in Cerrado. This data set is the first to compile VTMax values for South American herpetofauna, along with detailed experimental information such as heating rates and time to reach VTMax. This data set provides a baseline for understanding thermal tolerances and requirements of Neotropical ectothermic vertebrate species, which might be useful for future research on the impact of climate change and to test novel ecological hypotheses. There are no copyright or proprietary restrictions except that this data paper should be cited when data are used for publications. In addition, the authors would appreciated being informed of research projects or teaching purposes when these data are used.