bluuebunny/crossref_metadata_2025_split huggingface dataset:
Decorating Bacteria with Triple Immune Nanoactivators Generates Tumor‐Resident Living Immunotherapeutics
Authors: Li Juanjuan , Xia Qing , Guo Haiyan , Fu Zhenzhen , Liu Yong , Lin Sisi , Liu Jinyao 
Published: April 2022

AbstractAn approach of decorating bacteria with triple immune nanoactivators is reported to develop tumor‐resident living immunotherapeutics. Under cytocompatible conditions, tumor‐specific antigens and checkpoint blocking antibodies are simultaneously conjugated onto bacterial surface and then polydopamine nanoparticles are formed via in situ dopamine polymerization. In addition to serving as a linker, polydopamine with its photothermal effect can repolarize tumor‐associated macrophages to a pro‐inflammatory phenotype. The linked antigens promote the maturation of dendritic cells and generate tumor‐specific immune responses, while the anchored antibodies block immune checkpoints and activate cytotoxic T lymphocytes. Decorated bacteria show spatiotemporal tumor retention and proliferation‐dependent drug release, achieving potent antitumor effects in two antigen‐overexpressing tumor models. This work provides a versatile platform to prepare multimodal and long‐acting therapeutics for cancer immunotherapy.
Triarylamine/Bithiophene Copolymer with Enhanced Quinoidal Character as Hole‐Transporting Material for Perovskite Solar Cells
Authors: Lin Hao‐Sheng , Doba Takahiro , Sato Wataru , Matsuo Yutaka , Shang Rui , Nakamura Eiichi 
Published: April 2022

AbstractPolytriarylamine is a popular hole‐transporting materials (HTMs) despite its suboptimal conductivity and significant recombination at the interface in a solar cell setup. Having noted insufficient conjugation among the triarylamine units along the polymer backbone, we inserted a bithiophene unit between two triarylamine units through iron‐catalyzed C−H/C−H coupling of a triarylamine/thiophene monomer so that two units conjugate effectively via four quinoidal rings when the molecule functions as HTM. The obtained triarylamine/bithiophene copolymer (TABT) used as HTM showed a high‐performance in methylammonium lead iodide perovskite (MAPbI3) solar cells. Mesityl substituted TABT forms a uniform film, shows high hole‐carrier mobility, and has an ionization potential (IP=5.40 eV) matching that of MAPbI3. We fabricated a solar cell device with a power conversion efficiency of 21.3 % and an open‐circuit voltage of 1.15 V, which exceeds the performance of devices using reference standard such as poly[bis(4‐phenyl)(2,4,6‐trimethylphenyl)amine (PTAA) and Spiro‐OMeTAD.
The Influence of Nanoconfinement on Electrocatalysis
Authors: Wordsworth Johanna , Benedetti Tania M. , Somerville Samuel V. , Schuhmann Wolfgang , Tilley Richard D. , Gooding J. Justin 
Published: April 2022

AbstractThe use of nanoparticles and nanostructured electrodes are abundant in electrocatalysis. These nanometric systems contain elements of nanoconfinement in different degrees, depending on the geometry, which can have a much greater effect on the activity and selectivity than often considered. In this Review, we firstly identify the systems containing different degrees of nanoconfinement and how they can affect the activity and selectivity of electrocatalytic reactions. Then we follow with a fundamental understanding of how electrochemistry and electrocatalysis are affected by nanoconfinement, which is beginning to be uncovered, thanks to the development of new, atomically precise manufacturing and fabrication techniques as well as advances in theoretical modeling. The aim of this Review is to help us look beyond using nanostructuring as just a way to increase surface area, but also as a way to break the scaling relations imposed on electrocatalysis by thermodynamics.
Photographic analysis of field‐monitored fern gametophyte development and response to environmental stress
Authors: Schneller Jakob J. , Farrar Donald R. 
Published: April 2022

AbstractPremiseFerns differ from seed plants in possessing a life cycle that includes a small, free‐living, seemingly vulnerable gametophyte stage in which sexual reproduction occurs. Most research on the response of fern gametophytes to environmental stress has been conducted on gametophytes grown in culture or harvested from natural habitats and subsequently manipulated and tested in laboratory experiments. We present a fixed‐distance photographic methodology for monitoring longevity of gametophytes and their response to environmental stress in natural, undisturbed habitats over their life spans.MethodsWe present methodology for non‐invasive monitoring of growth and development in response to environmental factors, using programmed, fixed‐distance photography, coupled with computer analyses allowing qualitative and quantitative comparisons. We tracked growth rates and stress responses of individual gametophyte plants to seasonal changes in a temperate climate.ResultsGametophytes and young sporophytes survived freezing and drought in temperate habitats, as we document through photographs and growth measurements. Gametophyte growth was suspended during the cold season and resumed the following spring. Individual gametophytes survived for up to nearly three years with retention of the ability to produce sporophytes.DiscussionLife histories of fern gametophytes in temperate habitats are more similar to those in tropical habitats than previous research has suggested. They survive and maintain reproductive capacity over several growing seasons, allowing extended opportunity for outbreeding. The application of photographic monitoring of additional species and habitats has great potential for a more complete understanding of the ecology of reproduction in homosporous vascular plants.
The validity and reliability of the simplified Chinese version of the Social Communication Questionnaire
Authors: Liu Si‐Yu , Wang Xin , Chen Qiang , Chen Jia‐Jie , Jin Cheng‐Kai , Zhan Xiao‐Ling , Guo Cui‐Hua , Li Xiu‐Hong , Lin Li‐Zi , Jing Jin 
Published: April 2022

AbstractThis study aims to validate the simplified Chinese version of the Social Communication Questionnaire (SCQ) in children aged 2–12 years from both general and clinical populations. We recruited 819 Chinese children in this study, including 505 typically developing (TD) children, 202 children with autism spectrum disorder (ASD) and 112 children with non‐ASD neurodevelopmental disorders. All the children's parents completed the simplified Chinese version of the SCQ and all children with ASD were additionally assessed for intelligence and the Childhood Autism Rating Scale to confirm their diagnosis. We have developed a 40‐item, 4‐factor structure of SCQ with two domains (social communication and social interaction; and restricted, repetitive, and stereotyped patterns of behavior), which showed adequate goodness of fit (comparative fit index [CFI] = 0.96, Tucker‐Lewis index [TLI] = 0.95, standardized root mean squared residual [SRMR] = 0.07, root mean square error of approximation [RMSEA] = 0.05), with good internal consistency (Cronbach's alpha = 0.92). We have provided different cut‐offs to distinguish ASD cases from TD children (11 for children under 4 years [sensitivity: 0.96, specificity: 0.95], 12 for children 4 years and above [sensitivity: 0.93, specificity: 0.98]) or children with other neurodevelopmental disorders (14 [sensitivity: 0.85, specificity: 0.88]). Through this large sample validation, we confirmed that the simplified Chinese version of the SCQ could be used for children aged 2–12 years with relatively good psychometric properties.Lay SummaryWe aimed to develop the simplified Chinese version of the Social Communication Questionnaire (SCQ) for Chinese children aged 2–12 years as a screening tool to identified potential risk of autism spectrum disorder (ASD). We have developed a 40‐item, 4‐factor structure of SCQ with two domains, which showed adequate goodness of fit and good psychometric properties. We also provided different cut‐offs to identify ASD cases in general or clinical populations.
Revisiting the Chevrel Phase: Impact of Dispersion Corrections on the Properties of Mo6S8 for Cathode Applications**
Authors: Helmbrecht Katharina , Euchner Holger , Groß Axel 
Published: April 2022

AbstractWhile the Mo6S8 chevrel phase is frequently used as cathode material in Mg‐ion batteries, theoretical studies on this material are comparatively scarce. The particular structure of the Mo6S8 phase, with rather loosely connected cluster entities, points to the important role of dispersion forces in this material. However, so far this aspect has been completely neglected in the discussion of Mo6S8 as cathode material for mono‐ and multivalent‐ion batteries. In this work we therefore have studied the impact of dispersion forces on stability and kinetics of Mo6S8 intercalation compounds. For this purpose, a series of charge carriers (Li, Na, K, Mg, Ca, Zn, Al) has been investigated. Interestingly, dispersion forces are observed to only slightly affect the lattice spacing of the chevrel phase, nevertheless having a significant impact on insertion voltage and in particular on the charge carrier mobility in the material. Moreover, upon varying the charge carriers in the chevrel phase, their diffusion barriers are observed to scale linearly with the ion size, almost independent of the charge of the considered ions. This indicates a rather unique and geometry dominated diffusion mechanism in the chevrel phase. The consequences of these findings for the ion mobility in the chevrel phase will be carefully discussed.
Physiologically based pharmacokinetic modeling and simulations to inform dissolution specifications and clinical relevance of release rates on elagolix exposure
Authors: Mukherjee Dwaipayan , Chiney Manoj S. , Shao Xi , Ju Tzuchi R. , Shebley Mohamad , Marroum Patrick 
Published: April 2022

AbstractThe aim of this analysis was to use a physiologically based pharmacokinetic (PBPK) model to predict the impact of changes in dissolution rates on elagolix exposures and define clinically relevant acceptance criteria for dissolution. Varying in vitro dissolution profiles were utilized in a PBPK model to describe the absorption profiles of elagolix formulations used in Phase 3 clinical trials and for the to be marketed commercial formulations. Single dose studies of 200 mg elagolix formulations were used for model verification under fasted conditions. Additional dissolution scenarios were evaluated to assess the impact of dissolution rates on elagolix exposures. Compared to the Phase 3 clinical trial formulation, sensitivity analysis on dissolution rates suggested that a hypothetical scenario of ∼75% slower dissolution rate would result in 14% lower predicted elagolix plasma exposures, however, the predicted exposures are still within the bioequivalence boundaries of 0.8–1.25 for both Cmax and AUC. A clinically verified PBPK model of elagolix was utilized to evaluate the impact of wider dissolution specifications on elagolix plasma exposures. The simulation results indicated that a slower in vitro dissolution profile, would not have a clinically significant impact on elagolix exposures. These model results informed the setting of wider dissolution specifications without requiring in vivo studies.
Biocompatible mucoadhesive nanoparticles for brain targeting of ropinirole hydrochloride: Formulations, radiolabeling and biodistribution
Authors: Darwish Wael M. , Bayoumi Noha A. , Ebeid Nahed H. 
Published: April 2022

AbstractTwo nanoformulations with mucoadhesive properties and brain‐targeting mechanisms were designed to deliver the anti‐Parkinson's drug, ropinirole hydrochloride (RH). In the first formulation, RH and the amphiphilic block copolymer methoxy poly(ethylene glycol)‐b‐poly(caprolactone) were assembled in a core–shell morphology followed by coating with a mucoadhesive chitosan outer layer producing a multilayer vehicle (MLV). In the second formulation, RH was encapsulated during the polyelectrolyte complexation of two natural polymers, chitosan and alginate producing RH‐loaded chitosan‐alginate polyelectrolyte (PEC) nanocomplex. Conditions of each formulation were adopted for optimal drug loading. Physico‐chemical characterization of the prepared formulations (particle size, polydispersity index and zeta‐potential) exhibited stable monodispersed nanoparticles. RH was radiolabeled by I‐131 radiotracer in a high‐radiochemical yield. Biodistribution and brain targeting of RH from the prepared formulations were studied after administration of 131I‐RH‐loaded nanoparticles to albino mice via intranasal and intravenous routs. Elevated brain radioactivity was detected post IN administration of (131I‐RH/PCL‐PEG/CS) nanoparticles and (131I‐RH/CS‐ALG) nanoparticles comparing with the IN administrated RH solutions (Cmax = 2.8 ± 0.3, 2 ± 0.3, 0.93 ± 0.03% radioactivity/g, 1 h post administration, respectively). This demonstrated that a relatively high‐brain targeting could be achieved via intranasal route of administration of RH‐loaded nanoparticles. The proposed models are further potential for application to deliver many other brain‐targeting therapeutics.
Visualizing protein big data using Python and Jupyter notebooks
Authors: Weiss Charles J. 
Published: April 2022

AbstractThis article reports a workshop from the 2021 IUBMB/ASBMB Teaching Science with Big Data conference held virtually in June 2021 where participants learned to explore and visualize large quantities of protein PBD data using Jupyter notebooks and the Python programming language. This activity instructs participants using Jupyter notebooks, Python functions, loading data with Python, and visualize data using the matplotlib and seaborn Python plotting libraries. It also allows participants to explore large quantities of data to discover trends such amino acid abundance, dihedral angles patterns, and secondary protein structure trends. All files used in this activity, including data files, Jupyter notebooks, and completed Jupyter notebooks, are freely available at https://github.com/weisscharlesj/BiopythonRamachandran under the CC BY‐NC‐SA 4.0 Creative Commons license.
The relation of neuroticism to physiological and behavioral stress responses induced by auditory startle
Authors: Sehlström Malcolm , Ljungberg Jessica K. , Claeson Anna‐Sara , Nyström Markus B. T. 
Published: April 2022

AbstractIntroductionThe negative cognitive effects of the startle response are not yet fully understood. Ecological observations in the aviation field indicate risk for severe outcomes in complex or pressured situations, while sparse previous research suggests milder negative effects on simple cognitive tasks. Neuroticism is proposed as a factor related to the level of negative effects following startle.MethodsThis study examined the effects of startle on performance in a choice reaction time task and analyzed relations between performance, neuroticism, and physiological stress.ResultsOur results indicate that reaction time directly following startle was not affected, but reaction time in subsequent trials was significantly slower. Neuroticism and physiological stress were both unrelated to this performance effect.DiscussionWe argue that higher complexity/demand tasks are necessary to complement the research on base cognitive functioning in relation to startle. If neuroticism is related to startle effects, this is more likely to be found in these higher demand situations.
Fe Single‐atom Sites in Two‐Dimensional Nitrogen‐doped Porous Carbon for Electrocatalytic Oxygen Reduction
Authors: Wang Yanzhi , Sun Peng‐Fei , Zhang Chaochao , Huang Zhehao , Dang Jingshuang , Liu Xinrong , Bao Zijia , Ma Xiaoning , Zhang Wei , Cao Rui , Zheng Haoquan 
Published: April 2022

AbstractThe development of electrocatalysts for oxygen reduction reaction (ORR) is important for energy conversion devices, such as fuel cells, and metal‐air batteries. Here, we have developed a confined space strategy to prepare a two‐dimensional (2D) leaf‐like nitrogen (N)‐containing porous carbon as a single‐atom catalyst substrate. ZIF−L materials have been confined in a thin silica layer to regulate the pyrolysis. The obtained Fe single atoms doped N‐containing porous carbons (Fe SAs/N−C) maintain the 2D morphology and have Fe single‐atom active sites. Correspondingly, Fe SAs/N−C exhibits excellent ORR performance (E1/2 of 0.907 V), which is more positive than those of commercially available Pt/C (0.874 V) and most reported non‐noble metal catalysts. The durability test shows that Fe SAs/N−C exhibits good stability during electrocatalytic process. This rational design shows a new strategy to prepare 2D catalyst supports with single‐atom active sites.
Predictors for supervisee disclosure in supervision: A mediation model
Authors: Li Chi , Kemer Gulsah , Lu Junfei 
Published: April 2022

AbstractWith a sample of 222 supervisees, path analysis results revealed that supervisory role ambiguity significantly mediated the relationship between supervisory working alliance and supervisee's counseling‐related disclosure in supervision. We discussed the implications for future supervision research and practices along with the limitations of the study.
Decreased keratinocyte Proline‐Rich protein expression in cutaneous T‐cell lymphoma
Authors: Hisamoto Teruyoshi , Suga Hiraku , Omori Issey , Mizuno Yuka , Oka Kenta , Boki Hikari , Takahashi‐Shishido Naomi , Oka Tomonori , Miyagaki Tomomitsu , Sugaya Makoto , Sato Shinichi 
Published: April 2022

AbstractBackgroundCutaneous T‐cell lymphomas (CTCLs) often have skin dryness and skin barrier dysfunctions, which are also seen in atopic dermatitis (AD). Expression of keratinocyte proline‐rich protein (KPRP) was decreased in the epidermis of AD, which led to barrier defects and further allergic inflammation.ObjectivesThe aim of this study was to analyze KPRP expression in CTCL.Materials & MethodsSkin samples of CTCL and healthy control were collected, and KPRP mRNA expression in the skin tissue was analyzed. We also performed immunohistochemistry of KPRP protein.ResultsKeratinocyte proline‐rich protein (KPRP) mRNA expression was decreased compared with normal skin. KPRP expression was positively correlated with that of filaggrin and loricrin, and it was negatively correlated with serum interleukin‐2 receptor levels. Immunohistochemistry staining showed that KPRP was detected in upper part of granular layer of epidermis in normal skin and in early‐stage CTCL, but rarely detected in the advanced‐stage CTCL.ConclusionIn conclusion, we revealed the decrease in KPRP expression in CTCL.
A Pharmacokinetic Bioequivalence Study Comparing Different‐Strength and ‐Size Capsules of Isavuconazonium Sulfate in Healthy Japanese Subjects
Authors: Shirae Shinichiro , Mori Yoko , Kozaki Tomohito , Ose Atsushi , Hasegawa Setsuo 
Published: April 2022

AbstractIsavuconazonium sulfate is the water‐soluble prodrug of the novel, broad‐spectrum, triazole antifungal agent isavuconazole. A size 0 elongated hard capsule containing 100 mg equivalent of isavuconazole is the currently marketed oral formulation in countries where it is approved. An alternative oral formulation, based on a lower‐strength and smaller‐size capsule, is required for pediatric and adolescent patients, as well as for some adult Japanese patients, especially those with difficulties swallowing larger capsules. This study was conducted to evaluate the bioequivalence of a size 0 elongated capsule containing 100 mg equivalent of isavuconazole and a size 3 capsule containing 40 mg equivalent of isavuconazole, after administration of 200 mg equivalent of isavuconazole (5 size 3 capsules or 2 size 0 elongated capsules) under fasted conditions. Bioequivalence of isavuconazole between the formulations was demonstrated, since point estimates (90%CI) for the ratio of the size 0 elongated capsules vs the size 3 capsules for maximum plasma concentration and area under the plasma concentration–time curve from time 0 to the last quantifiable concentration were within the acceptable range of 0.8 to 1.25. It was confirmed that both formulations were well tolerated, and no new safety signals were observed in healthy Japanese adult male subjects.
Development of argument based opinion mining model with sentimental data analysis from twitter content
Authors: Arumugam S. S. 
Published: April 2022

AbstractIn present scenario, social networks have developed massive in practice and society impact. Specifically, micro‐blogging is on trend in various platforms, such as Twitter, Instagram to evaluate public opinions for various issues. In recent times, some methods are developed for evaluating Twitter messages, based on the sentiment and opinions presented in tweets, corresponding to the hash‐tags and keywords. However, these models have some issues in handling the contradictory content and inconsistent data. Considering with this, this article presents an argument based opinion mining model with sentimental data analysis, for extracting specific argument, which is assessed in bottom‐up manner from the content from society emotion's reflects on the messages. Moreover, this model makes the user to pull out the arguments from a document set, which contains content from commercial sites, to extract the mostly argued positive and negative content. This model use natural language processing techniques, extraction of argument words for defining the decisions. The classification Naive Bayes classification is used for categorizing the results widely under agreed or disagreed. The experimental results prove that the proposed model provides feasible and appropriate results in argument analysis from Twitter content.
Scalable multi‐node multi‐GPU Louvain community detection algorithm for heterogeneous architectures
Authors: Bhowmick Anwesha , Vadhiyar Sathish , PV Varun 
Published: April 2022

SummaryCommunity detection is an important problem that is widely applied for finding cluster patterns in brain, social, biological, and many other kinds of networks. In this work, we have developed a multi‐node multi‐GPU Louvain community detection algorithm, simultaneously harnessing the CPU and GPU cores of the devices. The algorithm partitions a given graph across multiple nodes and devices in the nodes and performs independent computations of Louvain algorithm on the parts on the devices. The independently formed communities in the devices are refined by identification of doubtful vertices and migrating them to the other processors. The communities are merged using a hierarchical merging algorithm that ensures that at any point the merged component can be accommodated within a processor. Our experiments show that our algorithm is highly scalable with increasing number of devices and provides large‐scale performance for BigData graphs.