bluuebunny/crossref_metadata_2025_split huggingface dataset:
Exploring a model-based analysis of patient derived xenograft studies in oncology drug development
Authors: Dickinson Jake , de Matas Marcel , Dickinson Paul A. , Mistry Hitesh B. 
Published: January 2021

Purpose
To assess whether a model-based analysis increased statistical power over an analysis of final day volumes and provide insights into more efficient patient derived xenograft (PDX) study designs.

Methods
Tumour xenograft time-series data was extracted from a public PDX drug treatment database. For all 2-arm studies the percent tumour growth inhibition (TGI) at day 14, 21 and 28 was calculated. Treatment effect was analysed using an un-paired, two-tailed t-test (empirical) and a model-based analysis, likelihood ratio-test (LRT). In addition, a simulation study was performed to assess the difference in power between the two data-analysis approaches for PDX or standard cell-line derived xenografts (CDX).

Results
The model-based analysis had greater statistical power than the empirical approach within the PDX data-set. The model-based approach was able to detect TGI values as low as 25% whereas the empirical approach required at least 50% TGI. The simulation study confirmed the findings and highlighted that CDX studies require fewer animals than PDX studies which show the equivalent level of TGI.

Conclusions
The study conducted adds to the growing literature which has shown that a model-based analysis of xenograft data improves statistical power over the common empirical approach. The analysis conducted showed that a model-based approach, based on the first mathematical model of tumour growth, was able to detect smaller size of effect compared to the empirical approach which is common of such studies. A model-based analysis should allow studies to reduce animal use and experiment length providing effective insights into compound anti-tumour activity.
Tailoring the Redox Reactions for High‐Capacity Cycling of Cation‐Disordered Rocksalt Cathodes
Authors: Yue Yuan , Li Ning , Ha Yang , Crafton Matthew J. , McCloskey Bryan D. , Yang Wanli , Tong Wei 
Published: January 2021

AbstractCation‐disordered rocksalts (DRXs) have emerged as a new class of high‐capacity Li‐ion cathode materials. One unique advantage of the DRX chemistry is the structural flexibility that substantially lessens the elemental constraints in the crystal lattice, such as Li content, choice of transition metal redox center paired with appropriate d0 metal, and incorporation of F anion, which allows optimization of the key redox reactions. Herein, a series of the DRX oxyfluorides based on the Mn redox have been designed and synthesized. By tailoring the stoichiometry of the DRX compositions, high‐capacity cycling by promoting the cationic Mn2+/Mn4+ redox reactions while suppressing those from anionic O is successfully demonstrated. A highly fluorinated DRX compound, Li1.2Mn0.625Nb0.175O1.325F0.675 (M0.625F0.675), delivers a capacity of ≈170 mAh g−1 at C/3 for 100 cycles. This work showcases the concept of balancing the cationic and anionic redox reactions in the DRX cathodes for improved electrochemical performance through the rational composition design.
Strategic Advances in Spatiotemporal Control of Bioinspired Phenolic Chemistries in Materials Science
Authors: Jia Zhaojun , Wen Min , Cheng Yan , Zheng Yufeng 
Published: January 2021

AbstractNature‐inspired phenolic chemistries have substantially nourished the engineering of advanced materials for widespread applications in energy, catalysis, and biomedicine, among others. To achieve predictable yet adaptable material structures and properties, the spatial and/or temporal control over the phenolic chemistries per se is increasingly demanded. In this review, a systematic overview of recent strategical advances in the spatiotemporal control of phenolic chemistries in materials science is given. The chemical diversity and reactivity of catechols and polyphenols are first introduced as phenolic building blocks. With a main focus on catechols (especially dopamine), renewed insights into their mechanisms of polymerization/assembly, adhesion, and cohesion are provided. The conditions for tuning phenolic polymerization/assembly are also outlined. This paper focuses on the latest strategies for imparting controlled manipulation of phenolic chemistries in terms of many aspects: growth kinetics, chemical compositions and structures, dimensions and architectures, spatial patterns, and surface functionality. Finally, critical issues facing this field with perspectives delivered on future research are discussed. As envisaged, this review will provide helpful guidance to orchestrate state‐of‐the‐art phenolic chemistries and materials science for producing materials with intended, application‐oriented properties and functions.
Metallic Diluted Dimerization in VO2 Tweeds
Authors: Sandiumenge Felip , Rodríguez Laura , Pruneda Miguel , Magén César , Santiso José , Catalan Gustau 
Published: January 2021

AbstractThe observation of electronic phase separation textures in vanadium dioxide, a prototypical electron‐correlated oxide, has recently added new perspectives on the long standing debate about its metal–insulator transition and its applications. Yet, the lack of atomically resolved information on phases accompanying such complex patterns still hinders a comprehensive understanding of the transition and its implementation in practical devices. In this work, atomic resolution imaging and spectroscopy unveils the existence of ferroelastic tweed structures on ≈5 nm length scales, well below the resolution limit of currently used spectroscopic imaging techniques. Moreover, density functional theory calculations show that this pretransitional fine‐scale tweed, which on average looks and behaves like the standard metallic rutile phase, is in fact weaved by semi‐dimerized chains of vanadium in a new monoclinic phase that represents a structural bridge to the monoclinic insulating ground state. These observations provide a multiscale perspective for the interpretation of existing data, whereby phase coexistence and structural intermixing can occur all the way down to the atomic scale.
Approaching Crystal Structure and High Electron Mobility in Conjugated Polymer Crystals
Authors: Yao Ze‐Fan , Zheng Yu‐Qing , Dou Jin‐Hu , Lu Yang , Ding Yi‐Fan , Ding Li , Wang Jie‐Yu , Pei Jian 
Published: January 2021

AbstractConjugated polymers usually form crystallized and amorphous regions in the solid state simultaneously, making it difficult to accurately determine their precise microstructures. The lack of multiscale microstructures of conjugated polymers limits the fundamental understanding of the structure–property relationships in polymer‐based optoelectronic devices. Here, crystals of two typical conjugated polymers based on four‐fluorinated benzodifurandione‐based oligo(p‐phenylene vinylene) (F4BDOPV) and naphthalenediimide (NDI) motifs, respectively, are obtained by a controlled self‐assembly process. The strong diffractivity of the polymer crystals brings an opportunity to determine the crystal structures by combining X‐ray techniques and molecular simulations. The precise polymer packing structures are useful as initial models to evaluate the charge transport properties in the ordered and disordered phases. Compared to the spin‐coated thin films, the highly oriented polymer chains in crystals endow higher mobilities with a lower hopping energy barrier. Microwire crystal transistors of F4BDOPV‐ and NDI‐based polymers exhibit high electron mobilities of up to 5.58 and 2.56 cm2 V−1 s−1, respectively, which are among the highest values in polymer crystals. This work presents a simple method to obtain polymer crystals and their precise microstructures, promoting a deep understanding of molecular packing and charge transport for conjugated polymers.
Kinetically Tunable, Active Auxetic, and Variable Recruitment Active Textiles from Hierarchical Assemblies
Authors: Granberry Rachael , Barry Justin , Holschuh Brad , Abel Julianna 
Published: January 2021

AbstractMultifunctional textiles with programmable, multi‐axial, distributed, and scalable actuation are highly desirable and presently unrealized. 1D torque‐unbalanced active yarns within 2D textile structures are exploited to produce soft and scalable active textiles that exhibit tunable displacements, forces, stiffnesses, and kinematic deformations. Through a textile hierarchy spanning active material composition, yarn construction, textile geometry, and system architecture, these active textiles accomplish kinetic tunability, variable recruitment behaviors, and auxetic effects without mechanical contact, called active auxetic effects. New modes of pre‐programmed multi‐axial performance are enabled by geometrically manipulating—specifically pre‐stressing and constraining—active filaments in torsion and leveraging their structural elastic instability within a textile geometry. The new kinematic motion afforded by torque‐unbalanced active yarns enhances the performance of active textiles, which accomplish tensile strokes over 40%, generated blocked forces up to 308 N m−1, and specific work over 0.4. kJ kg−1. Advances in active textiles are demonstrated through multifunctional 3D applications, including a variable constriction pump that exhibits sequential actuation, a wearable that conforms multi‐axially around the body, and a soft exoskeleton that performs assistive motions and on‐body anchoring simultaneously. By harnessing the capabilities of active materials within a textile hierarchy, advances in the potentiality of multifunctional textiles are presented.
A New High Entropy Glycerate for High Performance Oxygen Evolution Reaction
Authors: Nguyen Thi Xuyen , Su Yen‐Hsun , Lin Chia‐Chun , Ruan Jrjeng , Ting Jyh‐Ming 
Published: January 2021

AbstractHerein, a new high entropy material is reported, i.e., a noble metal‐free high entropy glycerate (HEG), synthesized via a simple solvothermal process. The HEG consists of 5 different metals of Fe, Ni, Co, Cr, and Mn. The unique glycerate structure exhibits an excellent oxygen evolution reaction (OER) activity with a low overpotential of 229 and 278 mV at current densities of 10 and 100 mA cm−2, respectively, in 1 m KOH electrolyte, outperforming its subsystems of binary‐, ternary‐, and quaternary‐metal glycerates. The HEG also shows outstanding stability and durability in the alkaline electrolyte. The result demonstrates the significance of synergistic effect that gives additional freedoms to modify the electronic structure and coordination environment. Moreover, HEG@HEG electrolyzer shows a good overall water splitting performance and durability, requiring a cell voltage of 1.63 V to achieve a current density of 10 mA cm−2.
CD146 is a Novel ANGPTL2 Receptor that Promotes Obesity by Manipulating Lipid Metabolism and Energy Expenditure
Authors: Wu Zhenzhen , Liu Jingyu , Chen Gang , Du Junfeng , Cai Huiyun , Chen Xuehui , Ye Gaoqi , Luo Yongting , Luo Yiyi , Zhang Liwen , Duan Hongxia , Liu Zheng , Yang Sai , Sun Hongwei , Cui Yan , Sun Lei , Zhang Hongjie , Shi Guizhi , Wei Taotao , Liu Pingsheng , Yan Xiyun , Feng Jing , Bu Pengcheng 
Published: January 2021

AbstractObesity and its related complications pose an increasing threat to human health; however, targetable obesity‐related membrane receptors are not yet elucidated. Here, the membrane receptor CD146 is demonstrated to play an essential role in obesity. In particular, CD146 acts as a new adipose receptor for angiopoietin‐like protein 2 (ANGPTL2), which is thought to act on endothelial cells to activate adipose inflammation. ANGPTL2 binds to CD146 to activate cAMP response element‐binding protein (CREB), which then upregulates CD146 during adipogenesis and adipose inflammation. CD146 is present in preadipocytes and mature adipocytes, where it is mediated by its ligands ANGPTL2 and galectin‐1. In preadipocytes, CD146 ablation suppresses adipogenesis, whereas the loss of CD146 in mature adipocytes suppresses lipid accumulation and enhances energy expenditure. Moreover, anti‐CD146 antibodies inhibit obesity by disrupting the interactions between CD146 and its ligands. Together, these findings demonstrate that ANGPTL2 directly affects adipocytes via CD146 to promote obesity, suggesting that CD146 can be a potential target for treating obesity.
Tunable Microwave Device Fabrication on Low‐Temperature Crystallized Ba0.5Sr0.5TiO3 Thin Films by an Alternating Deposition and Laser Annealing Process
Authors: Goud Jakkapally Pundareekam , Kumar Ajeet , Sandeep Kongbrailatpam , Ramakanth Suryavamshi , Ghoshal Partho , Raju Kanakkappillavila Chinnayya James 
Published: January 2021

AbstractThis article demonstrates a method to fabricate crystalline Ba0.5Sr0.5TiO3 (BST) thin films at a lower temperature of ≈300 °C using an excimer laser by an alternating depositing and annealing process. Firstly, a BST thin film with a thickness of ≈120 nm is deposited at 300 °C (laser energy of ≈2 J cm−2) and subsequently laser annealed (66 mJ cm−2) at 300 °C. This process is repeated five times to obtain thicker device quality films. XRD patterns, TEM, Raman, and UV–Vis–NIR spectroscopy confirm that phase formation of BST thin films has taken place. The band edge value for BST thin films is observed to decrease systematically from 4.65 eV (amorphous, 300 °C) to 3.56 eV (5‐layers, crystalline, 300 °C). A varactor device with a Circular Patch Capacitor (CPC) structure is patterned on the five‐stage laser annealed BST thin films processed at 300 °C, which shows a microwave tunability of 34% at 1 GHz compared to conventionally deposited BST films (prepared at 700 °C). This study provides a way for fabricating ferroelectric thin film based tunable devices at low temperatures, making the process compatible with low melting substrates in flexible electronics and other situations where there is a temperature constraint.
Selective Defect Passivation and Topographical Control of 4‐Dimethylaminopyridine at Grain Boundary for Efficient and Stable Planar Perovskite Solar Cells
Authors: Song Seulki , Park Eun Young , Ma Boo Soo , Kim Dong Jun , Park Helen Hejin , Kim Young Yun , Shin Seong Sik , Jeon Nam Joong , Kim Taek‐Soo , Seo Jangwon 
Published: January 2021

AbstractRecent progress in highly efficient perovskite solar cells (PSCs) has been made by virtue of interfacial engineering on 3D perovskite surfaces for their defect control, however, the structural stability of the modified interface against external stimuli still remains unresolved. Herein, 4‐dimethylaminopyridine (DMAP) is introduced to develop a facile technique for selectively passivating the grain boundary (GB) and controlling the topographical boundary of the perovskite surface near the GB. Through the surface treatment of DMAP, strongly bound DMAP crystals are selectively formed at the GB, which serves two functions: nonradiative recombination at GB is effectively reduced by healing the uncoordinated Pb2+ while adhesion strength between the perovskite and the poly(triaryl amine) (PTAA) polymer is significantly enhanced by a mechanical interlock effect. A planar PSC with DMAP treatment exhibits a champion power conversion efficiency of 22.4%, which is not only much higher than the 20.04% observed for a nontreated control device, but also the highest among the planar PSCs using PTAA polymers as a hole transport material. Furthermore, the use of DMAP leads to a substantial improvement in the device stability under damp‐heat test and light irradiation.
Winter canola yield and nitrogen use efficiency in a semiarid irrigated condition
Authors: Paye Wooiklee S. , Begna Sultan , Ghimire Rajan , Angadi Sangamesh V. , Singh Paramveer , Umesh Mathada Rangappa , Darapuneni Murali 
Published: January 2021

AbstractWinter canola (Brassica napus L.) is an economically viable alternative crop for the semiarid southern Great Plains of the United States. Although land area under winter canola has increased in recent years, an independent guideline on fertility recommendation and their effects on crop growth and soil health is not available for the semiarid southern Great Plains region. This study aimed to evaluate winter canola growth, yield components, and nitrogen use efficiency (NUE) with different nitrogen application timings (NATs) in a semiarid irrigated condition. A 2‐yr study was designed with two canola varieties (Riley and 46W94) and four NATs. Nitrogen treatments were F100 (100% of nitrogen applied in fall), S100 (100% of nitrogen applied in spring), FS50 (50% of nitrogen applied in fall and 50% in spring), and FSB25 (25% of nitrogen applied in fall, 25% in spring, and 25% before flowering). The winter dry matter accumulation was greater with the F100 N application, whereas the forage quality was better with the FS50 treatment. The highest seed yield of 2,539 kg ha–1 was from S100, which was not significantly different from FS50 and FSB25. The N use efficiency was the highest under FSB25, which uses 25% less N, followed by S100, FS50, and F100 treatments. The FS50 with 50% of N application in fall and 50% in spring was the most efficient N timing treatment when winter biomass accumulation, seed yield, and seed oil and protein contents were considered.
Digital peer‐to‐peer information seeking and sharing: Opportunities for education and collaboration in newborn screening
Authors: Miller Brianne C. , Goldenberg Aaron J. , Bonhomme Natasha F. 
Published: January 2021

AbstractParents use the internet to connect with their peers and access information about a multitude of health topics, including newborn screening (NBS). As the NBS system evolves, education about NBS must be evaluated and updated to remain accessible and beneficial to parents. In this article, we aim to describe parents' current NBS educational needs and highlight areas to improve newborn screening education by detailing an analysis of NBS posts on an online parenting discussion platform. We analyzed a total of 317 discussion posts on BabyCenter®, finding that parents had questions about and desired support around many aspects of NBS including processes, results, and follow‐up. As a result of this analysis, three recommendations to improve NBS education were developed. Through collaboration and by leveraging technology, we can provide parents with accessible, timely, and desired NBS informational and social support.
Hydrofluorination of Alkenes: A Review
Authors: Bertrand Xavier , Chabaud Laurent , Paquin Jean‐François 
Published: January 2021

AbstractIn this minireview, we explore the different approaches used to perform the hydrofluorination reaction of alkenes. Contrary to other hydrohalogenation reactions, the hydrofluorination requires specific conditions due to the lower reactivity of HF. Over the years, many different approaches have been explored among which the use of HF complexes has particularly proved to be useful as these reagents are easier to handle. The enantioselective hydrofluorination has been demonstrated using electrophilic sources of fluorine, while radical fluorination proved compatible with a vast range of functional groups that are generally problematic with strong acids and some fluoride sources. This review will cover the different conditions developed through the years, starting with the first reported addition using gaseous HF, up to the most recent method described in October 2020.
Rejoinder to “Virtual age, is it real?”
Authors: Finkelstein Maxim , Cha Ji Hwan 
Published: January 2021

AbstractIn this rejoinder, we first comment on valuable discussions of contributors. Based on these meaningful inputs, we proceed with description of the notion of “virtual age” from different perspectives. We also add a more detailed description for the new concept of a random virtual age that is applied to degrading items. The latter is used for age recalculation when one operational regime is switched to another.
Development of a rapid polarized total synchronous fluorescence spectroscopy (pTSFS) method for protein quantification in a model bioreactor broth
Authors: Boateng Bernard O. , Elcoroaristizabal Saioa , Ryder Alan G. 
Published: January 2021

AbstractProtein quantification during bioprocess monitoring is essential for biopharmaceutical manufacturing and is complicated by the complex chemical composition of the bioreactor broth. Here we present the early‐stage development and optimization of a polarized total synchronous fluorescence spectroscopy (pTSFS) method for protein quantification in a hydrolysate‐protein model (mimics clarified bioreactor broth samples) using a standard benchtop laboratory fluorometer. We used UV transmitting polarizers to provide wider range pTSFS spectra for screening of the four different TSFS spectra generated by the measurement: parallel (||), perpendicular (⊥), unpolarized (T) intensity spectra and anisotropy maps. TSFS|| (parallel polarized) measurements were the best for protein quantification compared to standard unpolarized measurements and the Bradford assay. This was because TSFS|| spectra had a better analyte signal to noise ratio (SNR), due to the anisotropy of protein emission. This meant that protein signals were better resolved from the background emission of small molecule fluorophores in the cell culture media. SNR of >5000 was achieved for concentrations of bovine serum albumin/yeastolate 1.2/10 g L–1 with TSFS||. Optimization using genetic algorithm and interval partial least squares based variable selection enabled reduction of spectral resolution and number of excitation wavelengths required without degrading performance. This enables fast (<3.5 min) online/at‐line measurements, and the method had an LOD of 0.18 g L–1 and high accuracy with a predictive error of <9%.
PURE mRNA display and cDNA display provide rapid detection of core epitope motif via high‐throughput sequencing
Authors: Reyes Sabrina Galiñanes , Kuruma Yutetsu , Fujimi Mai , Yamazaki Masako , Eto Sumie , Nishikawa Shota , Tamaki Satoshi , Kobayashi Asaki , Mizuuchi Ryo , Rothschild Lynn , Ditzler Mark , Fujishima Kosuke 
Published: January 2021

AbstractThe reconstructed in vitro translation system known as the PURE system has been used in a variety of cell‐free experiments such as the expression of native and de novo proteins as well as various display methods to select for functional polypeptides. We developed a refined PURE‐based display method for the preparation of stable messenger RNA (mRNA) and complementary DNA (cDNA)‐peptide conjugates and validated its utility for in vitro selection. Our conjugate formation efficiency exceeded 40%, followed by gel purification to allow minimum carry‐over of components from the translation system to the downstream assay enabling clean and efficient random peptide sequence screening. We chose the commercially available anti‐FLAG M2 antibody as a target molecule for validation. Starting from approximately 1.7 × 1012 random sequences, a round‐by‐round high‐throughput sequencing showed clear enrichment of the FLAG epitope DYKDDD as well as revealing consensus FLAG epitope motif DYK(D/L/N)(L/Y/D/N/F)D. Enrichment of core FLAG motifs lacking one of the four key residues (DYKxxD) indicates that Tyr (Y) and Lys (K) appear as the two key residues essential for binding. Furthermore, the comparison between mRNA display and cDNA display method resulted in overall similar performance with slightly higher enrichment for mRNA display. We also show that gel purification steps in the refined PURE‐based display method improve conjugate formation efficiency and enhance the enrichment rate of FLAG epitope motifs in later rounds of selection especially for mRNA display. Overall, the generalized procedure and consistent performance of two different display methods achieved by the commercially available PURE system will be useful for future studies to explore the sequence and functional space of diverse polypeptides.