bluuebunny/crossref_metadata_2025_split huggingface dataset:
Diastereoselectivity is in the Details: Minor Changes Yield Major Improvements to the Synthesis of Bedaquiline**
Authors: Mear Sarah Jane , Lucas Tobias , Ahlqvist Grace P. , Robey Juliana M. S. , Dietz Jule‐Philipp , Khairnar Pankaj V. , Maity Sanjay , Williams Corshai L. , Snead David R. , Nelson Ryan C. , Opatz Till , Jamison Timothy F. 
Published: June 2022

AbstractBedaquiline is a crucial medicine in the global fight against tuberculosis, yet its high price places it out of reach for many patients. Herein, we describe improvements to the key industrial lithiation‐addition sequence that enable a higher yielding and therefore more economical synthesis of bedaquiline. Prioritization of mechanistic understanding and multi‐lab reproducibility led to optimized reaction conditions that feature an unusual base‐salt pairing and afford a doubling of the yield of racemic bedaquiline. We anticipate that implementation of these improvements on manufacturing scale will be facile, thereby substantially increasing the accessibility of this essential medication.
A Rapid and Universal Workflow for Label‐Free‐Quantitation‐Based Proteomic and Phosphoproteomic Studies in Cereals
Authors: He Mingjie , Wang Jiahui , Herold Sandra , Xi Lin , Schulze Waltraud X. 
Published: June 2022

AbstractProteomics and phosphoproteomics are robust tools to analyze dynamics of post‐transcriptional processes during growth and development. A variety of experimental methods and workflows have been published, but most of them were developed for model plants and have not been adapted to high‐throughput platforms. Here, we describe an experimental workflow for proteome and phosphoproteome studies tailored to cereal crop tissues. The workflow consists of two parallel parts that are suitable for analyzing protein/phosphoprotein from total proteins and the microsomal membrane fraction. We present phosphoproteomic data regarding quantification coverage and analytical reproducibility for example preparations from maize root and shoot, wheat leaf, and a microsomal protein preparation from maize leaf. To enable users to adjust for tissue specific requirements, we provide two different methods of protein clean‐up: traditional ethanol precipitation (PC) and a recently developed technology termed single‐pot, solid‐phase‐enhanced sample preparation (SP3). Both the PC and SP3 methods are effective in the removal of unwanted substances in total protein crude extracts. In addition, two different methods of phosphopeptide enrichment are presented: a TiO2‐based method and Fe(III)‐NTA cartridges on a robotized platform. Although the overall number of phosphopeptides is stable across protein clean‐up and phosphopeptide enrichment methods, there are differences in the preferred phosphopeptides in each enrichment method. The preferred protocol depends on laboratory capabilities and research objective. © 2022 The Authors. Current Protocols published by Wiley Periodicals LLC.Basic Protocol 1: Total protein crude extractionBasic Protocol 2: Total protein clean‐up with ethanol precipitationAlternate Protocol 1: Total protein clean‐up with SP3 methodBasic Protocol 3: Microsomal fraction protein extractionBasic Protocol 4: Protein concentration determination by Bradford assayBasic Protocol 5: In‐solution digestion with trypsinBasic Protocol 6: Phosphopeptide enrichment with TiO2Alternate Protocol 2: Phosphopeptide enrichment with Fe(III)‐NTA cartridgesBasic Protocol 7: Peptide desalting with C18 materialBasic Protocol 8: LC‐MS/MS analysis of (phospho)peptides and spectrum matching
In‐Situ Anchoring Pb‐Free Cs3Bi2Br9@BiOBr Quantum Dots on NHx‐Rich Silica with Enhanced Blue Emission and Satisfactory Stability for Photocatalytic Toluene Oxidation
Authors: Guo Yanmei , Chen Jinxi , Zhao Yixin , Lou Yongbing 
Published: June 2022

AbstractAll‐inorganic metal halide perovskite quantum dots (QDs) have attracted attention from researchers with their fascinating optoelectronic properties. However, blue‐emitting perovskite QDs typically have low photoluminescence quantum yield (PLQY). For potential commercial applications, it is preferable to replace Pb with an element having low toxicity. Here, Pb‐free Cs3Bi2Br9@BiOBr perovskite QDs were anchored on the surface of NHx‐rich monodisperse silica (A−SiO2) via N−Bi chemical bonding to isolate QDs from each other, thus enhancing efficient surface passivation and suppressing optical decay. Compared to unanchored QDs, Cs3Bi2Br9@BiOBr QDs/A−SiO2 composites exhibited significantly enhanced blue emission performance, the PLQY of which increased from 16.62 % to 77.26 %, in addition to good water and environmental stability. Finally, the novel composites as photocatalysts were used to drive the oxidation of toluene, a template reaction of C(sp3)−H bond activation and demonstrated astonishing conversion rates (4317 μmol g−1 h−1) with high selectivity (around 87 %).
Optimized deep learning‐based intrusion detection for wireless sensor networks
Authors: Vembu Gowdhaman , Ramasamy Dhanapal 
Published: June 2022

SummaryThe technological innovations and wide use of Wireless Sensor Network (WSN) applications need to handle diverse data. These huge data possess network security issues as intrusions that cannot be neglected or ignored. An effective strategy to counteract security issues in WSN can be achieved through the Intrusion Detection System (IDS). IDS ensures network integrity, availability, and confidentiality by detecting different attacks. Regardless of efforts by various researchers, the domain is still open to obtain an IDS with improved detection accuracy with minimum false alarms to detect intrusions. Machine learning models are deployed as IDS, but their potential solutions need to be improved in terms of detection accuracy. The neural network performance depends on feature selection, and hence, it is essential to bring an efficient feature selection model for better performance. An optimized deep learning model has been presented to detect different types of attacks in WSN. Instead of the conventional parameter selection procedure for Convolutional Neural Network (CNN) architecture, a nature‐inspired whale optimization algorithm is included to optimize the CNN parameters such as kernel size, feature map count, padding, and pooling type. These optimized features greatly improved the intrusion detection accuracy compared to Deep Neural network (DNN), Random Forest (RF), and Decision Tree (DT) models.
Oxytocin but not naturally occurring variation in caregiver touch associates with infant social orienting
Authors: Brzozowska Alicja , Longo Matthew R. , Mareschal Denis , Wiesemann Frank , Gliga Teodora 
Published: June 2022

AbstractCaregiver touch is crucial for infants’ healthy development, but its role in shaping infant cognition has been relatively understudied. In particular, despite strong premises to hypothesize its function in directing infant attention to social information, little empirical evidence exists on the topic. In this study, we investigated the associations between naturally occurring variation in caregiver touch and infant social attention in a group of 6‐ to 13‐month‐old infants (n = 71). Additionally, we measured infant salivary oxytocin as a possible mediator of the effects of touch on infant social attention. The hypothesized effects were investigated both short term, with respect to touch observed during parent–infant interactions in the lab, and long term, with respect to parent‐reported patterns of everyday touching behaviors. We did not find evidence that caregiver touch predicts infant social attention or salivary oxytocin levels, short term or long term. However, we found that salivary oxytocin predicted infant preferential attention to faces relative to nonsocial objects, measured in an eye‐tracking task. Our findings confirm the involvement of oxytocin in social orienting in infancy, but raise questions regarding the possible environmental factors influencing the infant oxytocin system.
Acetazolamide: Old drug, new evidence?
Authors: Shukralla Arif Ali , Dolan Emma , Delanty Norman 
Published: June 2022

AbstractAcetazolamide is an old drug used as an antiepileptic agent, amongst other indications. The drug is seldom used, primarily due to perceived poor efficacy and adverse events. Acetazolamide acts as a noncompetitive inhibitor of carbonic anhydrase, of which there are several subtypes in humans. Acetazolamide causes an acidification of the intracellular and extracellular environments activating acid‐sensing ion channels, and these may account for the anti‐seizure effects of acetazolamide. Other potential mechanisms are modulation of neuroinflammation and attenuation of high‐frequency oscillations. The overall effect increases the seizure threshold in critical structures such as the hippocampus. The evidence for its clinical efficacy was from 12 observational studies of 941 patients. The 50% responder rate was 49%, 20% of patients were rendered seizure‐free, and 30% were noted to have had at least one adverse event. We conclude that the evidence from several observational studies may overestimate efficacy because they lack a comparator; hence, this drug would need further randomized placebo‐controlled trials to assess effectiveness and harm.
Performance of clay masonry prisms with light weight plaster exposed to standard fire exposure
Authors: Kiran Tattukolla , N Anand , Andrushia A. Diana , Kodur Venkatesh , Mathews Mervin Ealiyas , Arulraj G. Prince 
Published: June 2022

AbstractClay bricks are one of the most widely used materials in building construction due to their advantages, including local availability, ease of fabrication and cost‐effectiveness. Fire is one of the dangerous hazards that can cause damage the life and property. Lightweight plasters play a vital role in insulating the masonry construction during fire accident. There is only limited data and information available on the fire performance of Clay Brick Masonry (CBM) insulated with lightweight plaster. An extensive investigation was undertaken to evaluate the residual strength properties and physical characteristics of CBM prisms exposed to elevated temperatures. CBM prisms plastered with M‐sand mortar, vermiculite mortar, and perlite mortar were used for the investigation. Protected prisms were exposed to elevated temperatures following the ISO 834 standard fire curve for durations of 30 min (821°C), 60 min (925°C), 90 min (986°C), and 120 min (1029°C). Mechanical properties such as axial load carrying capacity, stress–strain behaviour, elastic modulus, and crack pattern were examined. The mechanical properties of CBM prisms were found to be highly influenced by the type of plastering, intensity, and the duration of heating. The microstructure and image analysis confirmed the effects of temperature exposure on protective plasters. Equations are proposed to determine the residual axial compressive strength and the elastic modulus of CBM. It was found that the specimens plastered with perlite mortar had better fire resistance.
Uncertainty and predictability of real housing returns in the United Kingdom: A regional analysis
Authors: Salisu Afees A. , Gupta Rangan , Ogbonna Ahamuefula E. , Wohar Mark E. 
Published: June 2022

AbstractThe predictability of uncertainty for real housing returns in the United Kingdom is examined using regional data covering 12 regions, namely, East Midlands, East of England, London, North East, North West, Northern Ireland, Scotland, South East, South West, Wales, West Midlands, and Yorkshire and the Humber. We utilize both housing price uncertainty (HPU) and economic policy uncertainty (EPU) data while we render analyses for three data samples—full sample and two subsamples covering the periods before and after the emergence of global financial crisis (GFC). Relying on a predictive model that accounts for the salient characteristics of the data, we find a negative relationship between HPU and real housing returns, on the average, regardless of the region analyzed. Also, the model that accounts for HPU outperforms the benchmark model that ignores it while controlling for relevant covariates further improves the forecast performance. Additional analyses involving the EPU measure depict lower predictive contents for house price movements relative to the HPU measure and therefore using sector‐specific uncertainty measure is crucial for more precise forecasts of real housing returns.
Biweekly fluctuations of neuropsychiatric symptoms according to the Neuropsychiatric Inventory: Erratic symptoms or scores?
Authors: Eikelboom Willem S. , den Teuling Amy , Pol Daphne E. , Coesmans Michiel , Franzen Sanne , Jiskoot Lize C. , van Hemmen Judy , Singleton Ellen H. , Ossenkoppele Rik , de Jong Frank Jan , van den Berg Esther , Papma Janne M. 
Published: June 2022

AbstractObjectivesThis study investigates the stability of neuropsychiatric symptoms (NPS) assessed biweekly using the Neuropsychiatric Inventory (NPI) in a memory clinic population during a 6 week period.MethodsTwenty‐three spousal caregivers (mean [SD] age = 69.7 [8.8], 82.6% female) of 23 patients (43.5% had dementia) completed all assessments. The NPI was assessed four times during 6 weeks. We examined whether NPI domains were present during all four assessments, studied within‐person variation for each NPI domain, and calculated Spearman's correlations between subsequent time‐points. Furthermore, we associated repeated NPI assessments with repeated measures of caregiver burden to examine the clinical impact of changes in NPI scores over time.ResultsThe course of NPS was highly irregular according to the NPI, with only 35.8% of the NPI domains that were present at baseline persisted during all 6 weeks. We observed large within‐person variation in the presence of individual NPI domains (61.3%, range 37.5%–83.9%) and inconsistent correlations between NPI assessments (e.g., range rs = 0.20–0.57 for agitation, range rs = 0.29–0.59 for anxiety). Higher NPI total scores were related to higher caregiver burden (rs = 0.60, p < 0.001), but changes in NPI total scores were unrelated to changes in caregiver burden (rs = 0.16, p = 0.20).ConclusionsWe observed strong fluctuations in NPI scores within very short time windows raising the question whether this represents erratic symptoms and/or scores. Further studies are needed to investigate the origins of these fluctuations.
Biocompatibility improvement and controlled in vitro degradation of poly (lactic acid)‐b‐poly(lactide‐co‐caprolactone) by formation of highly oriented structure for orthopedic application
Authors: Wang Wuyou , Liu Yalong , Ye Lin , Coates Phil , Caton‐Rose Fin , Zhao Xiaowen 
Published: June 2022

AbstractPoly (lactic acid) (PLA) has been proposed as a promising orthopedic implant material, whereas insufficient mechanical strength, unsatisfied biocompatibility and inappropriate degradation rate restrict its further application. In this work, self‐reinforced poly (lactic acid)‐b‐poly(lactide‐co‐caprolactone) (PLA‐b‐PLCL) block copolymer with long‐chain branches was fabricated through two‐stage orientation. Compared with smooth and hydrophobic PLA surface, the surface of PLA‐b‐PLCL presented micro‐phase separated structure with improved hydrophilicity, and cells seeded on it showed improved adhesion/proliferation and high alkaline phosphatase (ALP) activity. After the 1st stage orientation at temperature higher than Tg1 (glass transition temperature of PLA phase), the amount of CH3 and CO groups on surface of PLA‐b‐PLCL increased, while “groove‐ridge” structure formed, resulting in enhancement of surface hydrophobicity. After the 2nd stage orientation at Tg1 ~ Tg2 (glass transition temperature of PLCL phase), surface hydrophobicity/amount of CO groups further increased and “groove‐ridge” structure became more significant. Due to suitable wettability and enhanced material‐cell mechanical interlocking, cell proliferation/ALP activity were improved and a continuous cell layer formed on sample surface. During in vitro degradation in phosphate buffered saline solution, by introduction of PLCL segments, the crystallinity decreased and solution absorption increased, resulting in a rapid deterioration of mechanical properties. After the 1st stage orientation, a dense microfibrillar structure with high crystallinity formed, which hindered diffusion of solution and delay hydrolytic degradation. After the 2nd stage orientation, PLCL segments were arranged more closely, resulting in a further inhibition of degradation, which was helpful for controlling the strength decay rate of PLA as bone fixation materials.
School resource inadequacy and school social engagement: Mediating effect of principals' stress
Authors: Venugopal Prabhakar Gantasala , Gantasala Swapna Bhargavi , Madireddy Madhavi , Upadhyay Pooja 
Published: June 2022

AbstractThis study is intended to assess and help us understand the role of school resource inadequacy (SRI) on school social engagement (SSE). The authors also utilize this opportunity to analyze the influence of school resource inadequacies on principal stress (PS) and the influence of PS on SSE. School administrators would stand to benefit by understanding the direct influences of school resource inadequacies on SSE, the direct influence of school resource inadequacies on PS, the direct influence of PS on SSE, and the interactional effect of school resource inadequacies and PS on SSE. This study utilizes data from the “Teaching and Learning International Survey (TALIS) Principal Questionnaire,” 2018 available for England (United Kingdom). The respondents for this survey are principals of public and private schools in England (United Kingdom). Cronbach alpha values were calculated for the variables to confirm the reliability of variables considered for this study. Also used in this study are the Kaiser‐Meyer‐Olkin (KMO) test and the Andrew F. Hayes model 4 to test the mediating influence and interactional effects. SPSS 23.0 was used for the purpose of data analysis and the output tables are from the results of the tests done using SPSS. The results reiterate the relationship between SRI and PS. This study also establishes the relationship between PS and SSE as being negative, meaning that the lower the PS greater is the SSE. Results also show evidence of the relationship between SRI and SSE, meaning that adequate school resources have a positive influence on SSE. Further, the mediating effect of PS on SSE and SRI was also tested and established. The findings of this study are important for school administrators and regulators in understanding the relationship between school resources, SSE, and the mediating influence of PS. This study establishes the relationship between SRI and PS, SRI and SSE, PS, and SSE. The research is also unique as it establishes the mediating influence of PS.
Acute lymphoblastic leukemia-secreted miRNAs induce a proinflammatory microenvironment and promote the activation of hematopoietic progenitors
Authors: Rios de los Rios Jussara , Enciso Jennifer , Vilchis-Ordoñez Armando , Vázquez-Ramírez Ricardo , Ramirez-Ramirez Dalia , Balandrán Juan Carlos , Rodríguez-Martínez Aurora , Ruiz-Tachiquín Martha , Pompa-Mera Ericka , Mendoza Luis , Pedraza-Alva Gustavo , Mayani Hector , Fabbri Muller , Pelayo Rosana 
Published: June 2022

AbstractLeukemogenesis is proposed to result from the continuous interplay between inducive bone marrow (BM) microenvironments and malignant precursor cells. Recent findings point toward an abnormal production of proinflammatory mediators within the BM from acute lymphoblastic leukemia (ALL) patients, although the mechanism underlying this phenomenon is uncertain. Here, we have identified 3 miRNAs, miR-146a-5p, miR-181b-5p, and miR-199b-3p, as potential candidates for TLR8 ligation, which are overexpressed in ALL and show agonist functional binding. When purified from ALL exosomes, they demonstrated their capacity of inducing cytokine production by both, hematopoietic and stromal BM cells. Of note, the exposure of BM cells from ALL patients to the proinflammatory milieu resulting from these miRNAs agonist activity revealed the proliferation of normal progenitors, while poor effects were recorded in the leukemic counterpart. The unconventional roles of the tumor-secreted miRNAs as TLR8 agonist ligands may provide a novel mechanism contributing a tumor-microenvironment feedback loop by switching on proinflammatory pathways that further activate normal hematopoietic precursors and support ALL progression.Secreted B-ALL TLR8-agonist miRNAs are involved in the promotion of proinflammatory microenvironments that target normal hematopoietic cells. B-lineage ALL cells secrete exosomes containing miRNAs endowed with the ability of functionally binding TLR8 in hematopoietic and BM mesenchymal stromal cells. Upon TLR8 signaling, the activation of the NF-kB pathway induces secretion of proinflammatory cytokines that, in turn, promotes cell proliferation in early hematopoietic cell populations, driving a tumor–microenvironment–hematopoietic activation feedback loop that may reduce the normal hematopoietic stem and progenitor cell compartment and facilitate cancer progression.
Wing osteology, myology, and function of Rhea americana (Aves, Rheidae)
Authors: Lo Coco Gastón E. , Motta Matías J. , Agnolín Federico L. , Novas Fernando E. 
Published: June 2022

AbstractThe Greater Rhea (Rhea americana, Rheidae) is a flightless paleognath with a wide geographical distribution in South America. The morphology of its shoulder girdle and wings are different from those of flying birds and some characteristics are similar to basal birds and paravian theropods. We present a detailed osteological, myological, and functional study of the shoulder and the wing of the Greater Rhea. Particular features of the anatomy of the pectoral girdle and wing of Rhea include the lack of triosseal canal, reduced origin area of the mm. pectoralis p. thoracica and supracoracoideus and the lack of a propatagium. The wing muscle mass is markedly reduced, reaching only 0.89% of total body mass (BM). Forelimb muscles mass values are low compared to those of flying birds and are congruent with the non‐use of wings for active locomotion movements. R. americana does not flap the wings dorso‐ventral as typical for flying birds, but predominantly in cranio‐caudal direction, following a craniolateral to caudomedial abduction–adduction arc. When the wings are fully abducted, they are inverted L‐shaped, with the inner surface caudally faced, and when the wings are folded against the body, they do not perform the complete automatic wing folding nor the circumduction of the manus, a movement performed by extant volant birds. This study complements our knowledge of the axial musculature of the flightless paleognaths and highlights the use of the Greater Rhea as a model, which may help understand the evolution of Palaeognathae, as well as the origin of flapping flight among paravian theropods.