bluuebunny/crossref_metadata_2025_split huggingface dataset:
Activities and assessment solutions for students in advanced molecular genetics and biochemistry to direct and engage with public communication in an online environment
Authors: Kanapeckas Métris Kimberly L. 
Published: July 2020

AbstractApart from classroom presentations to their instructors and peer groups, STEM students have limited opportunities or encouragement to engage in guided communication of scientific concepts to others (family, friends, or the general public). A critical need exists for accurate, comprehensible science to be disseminated to these groups. To develop student proficiency in communication of complex biomolecular concepts impacting diverse audiences, I introduce learning approaches and assessments easily adapted to fit the needs of individual instructors and any molecular biology or biochemistry laboratory or lecture course in a remote/online environment. To help students develop an appreciation of the needs of different audiences and the nuanced drivers of clear communication, I provided them the choice of projects of similar length: Option (1) Create a scientific news release and short podcast or video clip newscast describing a recent advancement in understanding the molecular/biochemical basis of a disease; or Option (2) Create a lesson plan and mini‐video designed to teach a simple biochemical or molecular mechanism of disease with learning objectives, a brief activity, and appropriate assessment mechanisms. Students who chose the scientific news release/newscast activity distilled complex biomolecular concepts using the 5 W's of journalism—who, what, where, why, when—and learned to accurately communicate the relevance of advanced scientific discoveries and recent events for a broader audience. Students who chose the lesson plan designed activities centered on biomolecular science concepts that build upon what their audience already knows, revealing possibilities for undergraduates to contribute to educational outreach to secondary school teachers and classes.
Novel methodology to perform incurred sample reanalysis on dried blood spot cards: Experimental data using darolutamide and filgotinib
Authors: Kiran Vinay , Dixit Abhishek , Gabani Bhavesh Babulal , Srinivas Nuggehally R. , Mullangi Ramesh 
Published: July 2020

AbstractDifferent options on performing incurred sample reanalysis (ISR) on dried blood spot (DBS) cards were investigated using drugs belonging to various therapeutic areas: (a) darolutamide (to treat prostate cancer) and (b) filgotinib (to treat rheumatoid arthritis). The proposed novel methodology included the generation of half‐DBS and quarter‐DBS discs after initial blood collection using the full‐DBS discs. Accordingly, blood collection via DBS was performed in male BALB/c mice following intravenous and oral dosing of darolutamide; in male Sprague Dawley rats following intravenous and oral dosing of filgotinib. The ISR data generated from the full‐DBS disc, half‐DBS disc and quarter‐DBS disc were compared for the assessment of the proposed methodology. Quantification of darolutamide and filgotinib was accomplished using liquid chromatography‐electrospray ionization/tandem mass spectrometry methods. Darolutamide and filgotinib ISR samples, which were collected and prepared using full‐, half‐ and quarter‐DBS discs, met the acceptance criteria for ISR analysis. In conclusion, this is the first report showing a viable tool for the performance of ISR on DBS cards. The use of quarter‐ or half‐DBS discs would aid in not only ISR but also in long‐term storage experiments of analytes because it would avoid the need for additional blood sampling in patients.
Computational thinking in higher education: A review of the literature
Authors: Lyon Joseph A. , J. Magana Alejandra 
Published: July 2020

AbstractComputational thinking is of growing interest to the science, technology, engineering, and mathematics (STEM) education research community. Calls from national agencies look to increase computation in STEM education. This review identifies key areas for future study by reviewing recent empirical studies that investigate computational thinking in teaching and learning contexts within higher education. Using a systematic process, this review identified four different databases for peer‐reviewed research articles using keywords. Results were evaluated against inclusion and exclusion criteria. Studies were analyzed for types of methods, target population, the role of computational thinking, pedagogical designs used, and significant findings of the study. This process resulted in a final set of 13 studies. The results indicate that computational thinking research in higher education is growing, yet there are opportunities for more research. The findings of this study highlight the need for more concrete definitions and implementations of computational thinking within higher education spaces.
Epidemiology and practice patterns for male breast cancer compared with female breast cancer in Japan
Authors: Ishii Taisuke , Nakano Eriko , Watanabe Tomone , Higashi Takahiro 
Published: July 2020

AbstractBackgroundThe incidence of male breast cancer (MBC), although rare, has shown an increase. However, the current epidemiology of and practice patterns for MBC remain unclear. This study evaluated the characteristics and care patterns for MBC compared with female breast cancer (FBC) in Japan.MethodsUsing the National Database of Hospital‐Based Cancer Registries (HBCR) linked to the Diagnosis Procedure Combination data, we analyzed newly diagnosed breast cancer cases between January 2012 and December 2015 at participating hospitals in a large quality‐of‐care monitoring project. We employed logistic regression models to assess cancer treatment differences between MBC and FBC in patients who were indicated for adjuvant radiation therapy and neo‐adjuvant/adjuvant chemotherapy.ResultsOf 142,636 breast cancer patients, 870 (0.61%) were MBC patients. At diagnosis, the mean age of MBC patients was 10 years older than FBC patients (70 vs 60 years; P < .001). Advanced‐stage cancer was more frequently observed in MBC than in FBC (stage III/IV 18.9%/6.1% vs 10.6%/5.2%). Despite this, MBC patients were less likely to receive adjuvant radiation therapy and neo‐adjuvant/adjuvant chemotherapy. Gender was an independent treatment determinant factor for chemotherapy decisions.ConclusionMBC patients were older and had higher stages of cancer than FBC patients at diagnosis, but received suboptimal treatment.
Reexamination of the Ergothioneine Biosynthetic Methyltransferase EgtD from Mycobacterium tuberculosis as a Protein Kinase Substrate
Authors: Maurer Alice , Seebeck Florian P. 
Published: July 2020

AbstractErgothioneine has emerged as a crucial cytoprotectant in the pathogenic lifestyle of Mycobacterium tuberculosis. Production of this antioxidant from primary metabolites may be regulated by phosphorylation of Thr213 in the active site of the methyltransferase EgtD. The structure of mycobacterial EgtD suggests that this post‐translational modification would require a large‐scale change in conformation to make the active‐site residue accessible to a protein kinase. In this report, we show that, under in vitro conditions, EgtD is not a substrate of protein kinase PknD.
Structural modification of phenoxyimine titanium complexes and activation studies with alkylaluminum compounds
Authors: Yang Huaqin , van Ingen Yara , Blom Burgert , Rastogi Sanjay , Romano Dario 
Published: July 2020

AbstractThe synthesis and characterization of three complexes of the type (N‐(3‐tert‐butylsalicylidene)‐R)2TiCl2 [R=2,6‐difluorophenyl 1, R=2,6‐dimethylphenyl 2, R=phenyl 3] is reported and compared with the highly active R=2,3,4,5,6,–pentafluorophenyl 4. The complexes were tested for ethylene polymerization when activated with different co‐catalysts, giving high catalytic activity when activated with methylaluminoxane for complexes 3 and 4. Complex 3 is the only catalyst to be inactive when activated with diethylaluminum chloride. Unexpectedly, for complexes 1 and 2, no catalytic activity is recorded when butylated hydroxytoluene in methylaluminoxane is used to remove the trimethylaluminum, while the catalytic activity for complex 3 is retained. NMR study on the activation of the four complexes in the presence of common alkyl aluminum co‐catalysts suggests the formation of Ti(III) species in the presence of tri‐iso‐butylaluminum, and also the formation of NR−CH2 (R: −Al(CH2CH(CH3)2)2) bond from the N=C−H bond of the ligand explaining the absence of catalytic activity. Density functional theory calculations using B3LYP and a combination of basis sets (6‐31+G and cc‐pVTZ) were performed on the catalyst precursors and the activated species showing insights into the frontier orbitals, localizing the LUMO on the imino bond elucidating their reactivity. Mulliken charges are also reported and an unexpected relationship between the nitrogen on the ligands and the molecular weight is observed.
Capturing Lacunary Iron–Oxo Keggin Clusters and Insight Into the Keggin‐Fe13 Cluster Rotational Isomerization
Authors: Zheng Xiu‐Ying , Chen Man‐Ting , Du Ming‐Hao , Wei Rong‐Jia , Kong Xiang‐Jian , Long La‐Sheng , Zheng Lan‐Sun 
Published: July 2020

AbstractThe formation mechanism of ferrihydrite is the key to understand its treatment of pollutants in waste water and purification of surface water and groundwater. Although emerging evidence suggests that formation of the ferrihydrite occurs through the aggregation of prenucleation clusters, rather than classical atom‐by‐atom growth, its formation mechanism remains unclear. Herein, an iron–oxo anionic cluster of [Fe22(μ4‐O)8(μ3‐OH)20(μ2‐OH)18(CH3COO)16(H2O)2]4− viewed as a dimer of bivacant β‐Keggin‐Fe13 clusters was for the first time obtained by using lanthanide ions as stabilizers. Upon dissolution in a mixed solution of isopropanol and water, the lacunary β‐Keggin‐Fe13 cluster can transform into an α‐Keggin‐Fe13 cluster, distinctly demonstrating that the Keggin‐Fe13 cluster rotational isomerization can be realized through the vacant Keggin‐Fe13 cluster.
S‐shaped para‐Quinodimethane‐Embedded Double [6]Helicene and Its Charged Species Showing Open‐Shell Diradical Character
Authors: Jiang Qing , Han Yi , Zou Ya , Phan Hoa , Yuan Liu , Herng Tun Seng , Ding Jun , Chi Chunyan 
Published: July 2020

AbstractHelicenes and extended helical π‐conjugated compounds have been widely studied, but most of the systems contain only aromatic benzene or heterocyclic rings, showing local aromatic character. Herein, new S‐shaped double [6]helicene 1, which has two embedded para‐quinodimethane (p‐QDM) units, is reported. Due to the existence of a proaromatic quinoidal substructure, it has open‐shell diradical character. Its model compound, C‐shaped single [6]helicene 2 containing one p‐QDM unit, was also synthesized and compared. Their ground‐state structures and electronic properties were systematically studied by a combination of various experimental methods assisted by theoretical calculations. Compound 1 has a double‐helical structure in the crystal, with the two terminal [6]helicene units bent in opposite directions (i.e., anti form). However, an anti/syn isomerization process with a moderate interconversion energy barrier was observed on the NMR timescale. Compound 1 shows amphoteric redox behavior. It also exhibits open‐shell diradical character (y0=12.1 %) and a small singlet–triplet gap. On the other hand, compound 2 has a typical closed‐shell nature. The dication and dianion of 1 also show open‐shell diradical character. The dianion of 2 and the tetraanion of 1 exhibit similar electronic structures to their respective isoelectronic structures, that is, [6]helicene and a double [6]helicene. This work provides some insights into the design and synthesis of stable helical π systems with open‐shell diradical character and magnetic activity.
A Dual Inhibitor of DYRK1A and GSK3β for β‐Cell Proliferation: Aminopyrazine Derivative GNF4877
Authors: Liu Yahu A. , Jin Qihui , Ding Qiang , Hao Xueshi , Mo Tingting , Yan Shanshan , Zou Yefen , Huang Zhihong , Zhang Xiaoyue , Gao Wenqi , Wu Tom Y.‐H. , Li Chun , Bursalaya Badry , Di Donato Michael , Zhang You‐Qing , Deaton Lisa , Shen Weijun , Taylor Brandon , Kamireddy Anwesh , Harb George , Li Jing , Jia Yong , Schumacher Andrew M. , Laffitte Bryan , Glynne Richard , Pan Shifeng , McNamara Peter , Molteni Valentina , Loren Jon 
Published: July 2020

AbstractLoss of β‐cell mass and function can lead to insufficient insulin levels and ultimately to hyperglycemia and diabetes mellitus. The mainstream treatment approach involves regulation of insulin levels; however, approaches intended to increase β‐cell mass are less developed. Promoting β‐cell proliferation with low‐molecular‐weight inhibitors of dual‐specificity tyrosine‐regulated kinase 1A (DYRK1A) offers the potential to treat diabetes with oral therapies by restoring β‐cell mass, insulin content and glycemic control. GNF4877, a potent dual inhibitor of DYRK1A and glycogen synthase kinase 3β (GSK3β) was previously reported to induce primary human β‐cell proliferation in vitro and in vivo. Herein, we describe the lead optimization that lead to the identification of GNF4877 from an aminopyrazine hit identified in a phenotypic high‐throughput screening campaign measuring β‐cell proliferation.
An innovative derivatization‐free IC‐MS/MS method for the detection of bisphosphonates in horse plasma
Authors: Garcia Patrice , Pinètre Justine , Morel Sylvain , Jaubert Murielle , Deruy Xavier , Perot Isabelle , Delcourt Vivian , Loup Benoit , Popot Marie‐Agnès , Bailly‐Chouriberry Ludovic 
Published: July 2020

AbstractBisphosphonates are prohibited drugs according to Article 6 of the International Agreement on Breeding, Racing and Wagering of the International Federation of Horseracing Authorities (IFHA) and the International Equestrian Federation (FEI). These compounds are used for the treatment of lameness, navicular and bone diseases in horses and are divided into two groups: non‐nitrogen‐containing bisphosphonate drugs (e.g. clodronic acid) and nitrogen‐containing bisphosphonate drugs (e.g. zoledronic acid). Their hydrophilic properties and the high affinity for the bone matrix make the control of their use quite difficult. Current analytical strategies to detect such compounds often rely on a solid phase extraction (SPE) followed by detection by means of UHPLC–MS/MS after methylation with chemical reagents. To improve the analysis throughput and to eliminate the need for chemical derivatization, an innovative 96‐well SPE followed by ion chromatography‐mass spectrometry was developed. Analyses are conducted on an ICS‐6000 HPIC system coupled to a TSQ Altis™ (Thermo Scientific™). The use of a 96‐well SPE allowed 5‐fold sample increase and a 6‐fold throughput improvement. While preliminary results conducted on horse plasma exhibited similar performances to the method for the detection of non‐nitrogen‐containing bisphosphonates, the analytical performances of nitrogen‐containing bisphosphonates were greatly improved.
Movement patterns of large juvenile loggerhead turtles in the Mediterranean Sea: Ontogenetic space use in a small ocean basin
Authors: Chimienti Marianna , Blasi Monica F. , Hochscheid Sandra 
Published: July 2020

AbstractMechanisms that determine how, where, and when ontogenetic habitat shifts occur are mostly unknown in wild populations. Differences in size and environmental characteristics of ontogenetic habitats can lead to differences in movement patterns, behavior, habitat use, and spatial distributions across individuals of the same species. Knowledge of juvenile loggerhead turtles' dispersal, movements, and habitat use is largely unknown, especially in the Mediterranean Sea. Satellite relay data loggers were used to monitor movements, diving behavior, and water temperature of eleven large juvenile loggerhead turtles (Caretta caretta) deliberately caught in an oceanic habitat in the Mediterranean Sea. Hidden Markov models were used over 4,430 spatial locations to quantify the different activities performed by each individual: transit, low‐, and high‐intensity diving. Model results were then analyzed in relation to water temperature, bathymetry, and distance to the coast. The hidden Markov model differentiated between bouts of area‐restricted search as low‐ and high‐intensity diving, and transit movements. The turtles foraged in deep oceanic waters within 60 km from the coast as well as above 140 km from the coast. They used an average area of 194,802 km2, where most individuals used the deepest part of the Southern Tyrrhenian Sea with the highest seamounts, while only two switched to neritic foraging showing plasticity in foraging strategies among turtles of similar age classes. The foraging distribution of large juvenile loggerhead turtles, including some which were of the minimum size of adults, in the Tyrrhenian Sea is mainly concentrated in a relatively small oceanic area with predictable mesoscale oceanographic features, despite the proximity of suitable neritic foraging habitats. Our study highlights the importance of collecting high‐resolution data about species distribution and behavior across different spatio‐temporal scales and life stages for implementing conservation and dynamic ocean management actions.
Insects as zoogeomorphic agents: an extended review
Authors: Bétard François 
Published: July 2020

AbstractInsects are the largest and most diverse group of living organisms on Earth, playing a critical but underestimated role as agents of geomorphic change. Burrowing insects create micro‐scale landforms such as subterranean tunnels and surface mounds and, by this way, exert an influence on hydrology, soil erosion and sediment transfer at a wider landscape scale. However, social insects represented by ants and termites were the main taxa studied as geomorphic agents and ecosystem engineers. This article proposes an extended and critical literature review of insects as zoogeomorphic agents, with reference to various taxonomic orders and families of insects having a burrowing behaviour. It provides a large overview of their primary and secondary impacts on Earth surface systems, both supported by naturalistic evidence and available quantitative data. Some evolutionary insights are discussed based on fossil evidence of geomorphic work by insects and, at finer temporal scale, on recent advances in radiometric and luminescence dating of insect mounds. Finally, this article explores the fruitful links between geomorphology and entomology, and suggests several research perspectives in order to develop an integrated understanding of the importance of insects in Earth surface processes and landforms. © 2020 John Wiley & Sons, Ltd.
Using machine learning to quantify structural MRI neurodegeneration patterns of Alzheimer's disease into dementia score: Independent validation on 8,834 images from ADNI, AIBL, OASIS, and MIRIAD databases
Authors: Popuri Karteek , Ma Da , Wang Lei , Beg Mirza Faisal 
Published: July 2020

AbstractBiomarkers for dementia of Alzheimer's type (DAT) are sought to facilitate accurate prediction of the disease onset, ideally predating the onset of cognitive deterioration. T1‐weighted magnetic resonance imaging (MRI) is a commonly used neuroimaging modality for measuring brain structure in vivo, potentially providing information enabling the design of biomarkers for DAT. We propose a novel biomarker using structural MRI volume‐based features to compute a similarity score for the individual's structural patterns relative to those observed in the DAT group. We employed ensemble‐learning framework that combines structural features in most discriminative ROIs to create an aggregate measure of neurodegeneration in the brain. This classifier is trained on 423 stable normal control (NC) and 330 DAT subjects, where clinical diagnosis is likely to have the highest certainty. Independent validation on 8,834 unseen images from ADNI, AIBL, OASIS, and MIRIAD Alzheimer's disease (AD) databases showed promising potential to predict the development of DAT depending on the time‐to‐conversion (TTC). Classification performance on stable versus progressive mild cognitive impairment (MCI) groups achieved an AUC of 0.81 for TTC of 6 months and 0.73 for TTC of up to 7 years, achieving state‐of‐the‐art results. The output score, indicating similarity to patterns seen in DAT, provides an intuitive measure of how closely the individual's brain features resemble the DAT group. This score can be used for assessing the presence of AD structural atrophy patterns in normal aging and MCI stages, as well as monitoring the progression of the individual's brain along with the disease course.
Observations from a systematic review of pharmacist‐led research in solid organ transplantation: An opinion paper of the American College of Clinical Pharmacy Immunology/Transplantation Practice and Research Network
Authors: Pilch Nicole A. , Park Jeong M. , Lichvar Alicia , Kane Clare , Bowman Lyndsey , Melaragno Jennifer I. , Sobhanian Minoosh , Perez Caroline , Trofe‐Clark Jennifer , Fleming James N. 
Published: July 2020

AbstractIntroductionThe contributions of transplant pharmacists to clinical and translational research in the United States are ill‐defined and have not been systematically reviewed.ObjectivesThe American College of Clinical Pharmacy Immunology/Transplantation Practice and Research Network conducted a systematic review of available pharmacist‐led research publications involving solid organ transplantation with the intent to quantify and describe pharmacist‐led research endeavors and their changes over time.MethodsAn electronic search of Scopus was conducted to identify publications in the field of solid organ transplantation by pharmacist authors between January 1, 1975 and May 25, 2017. Articles were excluded if they were written in non‐English languages or originated from non‐US countries. Review articles, case reports, surveys, basic science research, pre‐clinical studies, and non‐transplant research were further excluded. Studies were categorized as one of four phases on the clinical and translational research spectrum, adapted from the Harvard Clinical and Translational Science Center description of a T1 to T4 classification system.ResultsA total of 10 354 publications were identified by the systematic search with 547 full‐text English‐language publications included in the analysis. Pharmacists served as the first author in 87% of the articles and as the senior author in 67% of the articles. A total of 71% of the articles included more than one pharmacist author. Transplant pharmacists published more studies that employed a retrospective or observational study design (55% and 78%, respectively). A total of 37% of studies were funded. On the spectrum of clinical and translation research, pharmacists were most involved in T3 (translation to practice) research (72%), followed by T2 (translation to patients) research (23%).ConclusionsTransplant pharmacists are increasingly represented in the US literature and frequently published across domains. Further demonstrating the relevance of pharmacist‐delivered interventions and outcomes is a critical area of practice focus.