bluuebunny/crossref_metadata_2025_split huggingface dataset:
Influence of Process Variables on Budesonide Nanoparticles Using Factorial Design
Authors: Kuchekar Ashwin , Jathar Jayesh , Gawade Ashwini , Kuchekar Bhanudas 
Published: March 2021

Aims: Nanoparticles are the colloidal carrier systems for delivery of poorly soluble drugs. Budesonide. (BUD) a corticosteroid practically insoluble in water is used in asthma treatment. The aim of the present research work was to develop and evaluate BUD nanoparticles.
Methodology: The prepared formulation was analyzed for % encapsulation efficiency, particle size analysis, zeta potential, polydispersity index (PDI), scanning electron microscopy and transmission electron microscopy. Poloxamer-188 was found in stabilizing BUD nanoparticles.
Results: The observed % encapsulation efficiency of the optimized batch was (82.95) %, particle size was 271.8 nm with PDI 0.456. Solvent injection method was successfully implemented to developed BUD nanoparticles poloxamer-188. Sonication time and amplitude played an important role in governing the particle size.
Conclusion: It can be inferred from the study that nanoparticles are a potential drug delivery method for poorly water-soluble drug delivery which can not only get impacted by formulation variables but also by process variables.
A Study of Self-Organization in Small Systems with Simple Dynamics
Authors: Oldham William J. B. , Rejcek James 
Published: March 2021

Self-organization in small systems of particles with simple dynamic laws has been simulated. The purpose of this work is to investigate self-organization in small systems where we could follow individual particles. The intention is to look for pattern formation as the system evolves. For the two kinds of systems studied, the motion and the final system state for various dynamic iterations are presented. In the first system design, two kinds of particles are simulated. Like particles have a repulsive force, while unlike particles have an attractive force. Initially, the particles are randomly distributed in a two dimensional square bounded region, and then allowed to dynamically interact for a number of iterations. In experiment 1 the particles have different polarity. Using the inverse square law force, modified at short distances, most cases resulted in equilibrium with the particles of opposite polarity paired up. Since this was a state of equilibrium no more movement occurred. In the second experiment, there are two groups of particles initially separated by a boundary. The particles on each side of the boundary are further divided into two groups referred to as strong or weak particles. In this experiment the resulting patterns were clusters of particles. The forces among all of the particles can be varied to study the configurations that result from the dynamics. The results of the experiments are presented in graphical format. The main conclusion is that this model can be used to study small dynamic systems.
Shear‐Induced Assembly of Liquid Colloidal Crystals for Large‐Scale Structural Coloration of Textiles
Authors: Li Yichen , Fan Qingsong , Wang Xiaohui , Liu Guojin , Chai Liqin , Zhou Lan , Shao Jianzhong , Yin Yadong 
Published: March 2021

AbstractPhotonic crystals (PCs) constructed from colloidal building blocks have attracted increasing attention because their brilliant structural colors may find broad applications in paints, sensors, displays, and security devices. However, producing high‐quality structural colors on flexible substrates such as textiles in an efficient and scalable manner remains a challenge. Here a robust and ultrafast approach to produce industrial‐scale colloidal PCs by the shear‐induced assembly of liquid colloidal crystals of polystyrene beads pre‐formed spontaneously over a critical volume fraction is demonstrated. The pre‐crystallization of colloidal crystals allows their efficient assembly into large‐scale PCs on flexible fabric substrates under shear force. Further, by programming the wettability of the fabric substrate with hydrophilic–hydrophobic regions, this shear‐based assembly strategy can conveniently generate pre‐designed patterns of complex structural colors. This assembly strategy brings structural coloration to flexible fabrics at a scale suitable for commercial applications; therefore, it holds the potential to revolutionize the coloration technology in the textile industry.
Whole‐Voltage‐Range Oxygen Redox in P2‐Layered Cathode Materials for Sodium‐Ion Batteries
Authors: Li Xun‐Lu , Wang Tian , Yuan Yifei , Yue Xin‐Yang , Wang Qin‐Chao , Wang Jun‐Yang , Zhong Jun , Lin Ruo‐Qian , Yao Yuan , Wu Xiao‐Jing , Yu Xi‐Qian , Fu Zheng‐Wen , Xia Yong‐Yao , Yang Xiao‐Qing , Liu Tongchao , Amine Khalil , Shadike Zulipiya , Zhou Yong‐Ning , Lu Jun 
Published: March 2021

AbstractOxygen‐redox of layer‐structured metal‐oxide cathodes has drawn great attention as an effective approach to break through the bottleneck of their capacity limit. However, reversible oxygen‐redox can only be obtained in the high‐voltage region (usually over 3.5 V) in current metal‐oxide cathodes. Here, we realize reversible oxygen‐redox in a wide voltage range of 1.5–4.5 V in a P2‐layered Na0.7Mg0.2[Fe0.2Mn0.6□0.2]O2 cathode material, where intrinsic vacancies are located in transition‐metal (TM) sites and Mg‐ions are located in Na sites. Mg‐ions in the Na layer serve as “pillars” to stabilize the layered structure during electrochemical cycling, especially in the high‐voltage region. Intrinsic vacancies in the TM layer create the local configurations of “□–O–□”, “Na–O–□” and “Mg–O–□” to trigger oxygen‐redox in the whole voltage range of charge–discharge. Time‐resolved techniques demonstrate that the P2 phase is well maintained in a wide potential window range of 1.5–4.5 V even at 10 C. It is revealed that charge compensation from Mn‐ and O‐ions contributes to the whole voltage range of 1.5–4.5 V, while the redox of Fe‐ions only contributes to the high‐voltage region of 3.0–4.5 V. The orphaned electrons in the nonbonding 2p orbitals of O that point toward TM‐vacancy sites are responsible for reversible oxygen‐redox, and Mg‐ions in Na sites suppress oxygen release effectively.
Thin Film NCM Cathodes as Model Systems to Assess the Influence of Coating Layers on the Electrochemical Performance of Lithium Ion Batteries
Authors: Hemmelmann Hendrik , Dinter Julius K. , Elm Matthias T. 
Published: March 2021

AbstractA facile procedure is demonstrated to prepare lithium nickel cobalt manganese oxide (NCM) thin film cathodes. Via a sol‐gel approach and subsequent spin‐coating, a crystalline and phase‐pure cathode layer is prepared without any further additives or binders. It is shown that the thin film cathodes are ideal model systems to access the effect of coating layers on electrochemical performance in lithium ion batteries. For this purpose, the thin films are coated with an ultrathin alumina layer using atomic layer deposition. The samples are structurally and electrochemically characterized, exhibiting comparable properties as cathodes prepared from powder. After cycling, post‐mortem analysis is conducted to investigate structural changes inflicted by the electrochemical treatment. The characterization reveals that uncoated samples exhibit severe structural changes due to cycling, while coated samples show only minor changes under the same conditions. Post‐mortem surface analysis using X‐ray photoelectron spectroscopy confirms the corrosion of the uncoated cathode and proofs the scavenging effect of alumina. The presented results provide a simple and versatile method to prepare thin film NCM model systems, which enable an accurate analysis of the cathode–electrolyte interface and thus allow to obtain a deeper understanding of the beneficial effect of coatings for next‐generation lithium ion batteries.
Recent Advances and Strategies for the Transition‐Metal‐Catalyzed C−H Functionalization of N‐Nitrosoanilines
Authors: Chaudhary Priyanka , Kandasamy Jeyakumar , Macabeo Allan Patrick G. , Tamargo Ramuel John Inductivo , Lee Yong Rok 
Published: March 2021

AbstractThe challenges faced in the activation and functionalization of C−H bonds while producing high‐value aromatic intermediates are significant for synthetic organic chemistry. This review summarizes the advancements made toward the C−H functionalization of N‐nitrosoanilines in the past decade, in which the nitroso group coordinates to a transition metal, such as rhodium, palladium, cobalt, iridium, and ruthenium, acting as a directing group to allow the activation of the ortho C−H bond. The versatility of this synthetic approach has led to the regio‐ and chemoselective introduction of various functional groups giving rise to aromatic congeners with diverse functional and structural properties. C−H functionalized nitroso compounds can be further transformed into valuable synthetic intermediates and unique heterocyclic compounds. A description of the mechanism underlying each reaction is also included. This review includes the following sections:magnified image
DNA‐Grafted Hyaluronic Acid System with Enhanced Injectability and Biostability for Photo‐Controlled Osteoarthritis Gene Therapy
Authors: Chen Zhijie , Zhang Feng , Zhang Hongbo , Cheng Liang , Chen Kaizhe , Shen Jieliang , Qi Jin , Deng Lianfu , He Chuan , Santos Hélder A. , Cui Wenguo 
Published: March 2021

AbstractGene therapy is identified as a powerful strategy to overcome the limitations of traditional therapeutics to achieve satisfactory effects. However, various challenges related to the dosage form, delivery method, and, especially, application value, hampered the clinical transition of gene therapy. Here, aiming to regulate the cartilage inflammation and degeneration related abnormal IL‐1β mRNA expression in osteoarthritis (OA), the interference oligonucleotides is integrated with the Au nanorods to fabricate the spherical nucleic acids (SNAs), to promote the stability and cell internalization efficiency. Furthermore, the complementary oligonucleotides are grafted onto hyaluronic acid (HA) to obtained DNA‐grafted HA (DNAHA) for SNAs delivery by base pairing, resulting in significantly improved injectability and bio‐stability of the system. After loading SNAs, the constructed DNAHA‐SNAs system (HA‐SNAs) performs a reversible NIR‐triggered on‐demand release of SNAs by photo‐thermal induced DNA dehybridization and followed by post‐NIR in situ hybridization. The in vitro and in vivo experiments showed that this system down‐regulated catabolic proteases and up‐regulated anabolic components in cartilage over extended periods of time, to safeguard the chondrocytes against degenerative changes and impede the continual advancement of OA.
Single‐Ion Conducting Polymer Electrolytes for Solid‐State Lithium–Metal Batteries: Design, Performance, and Challenges
Authors: Zhu Jiadeng , Zhang Zhen , Zhao Sheng , Westover Andrew S. , Belharouak Ilias , Cao Peng‐Fei 
Published: March 2021

AbstractRealizing solid‐state lithium batteries with higher energy density and enhanced safety compared to the conventional liquid lithium‐ion batteries is one of the primary research and development goals set for next‐generation batteries in this decade. In this regard, polymer electrolytes have been widely researched as solid electrolytes due to their excellent processability, flexibility, and low weight. With high cationic transference numbers (tLi+close to 1), single‐ion conducting polymer electrolytes (SICPEs) have tremendous advantages compared to polymer electrolyte systems (tLi+ < 0.4) because of their potential to reduce the buildup of ion concentration gradients and suppress growth of lithium dendrites. The current review covers the fundamentals of SICPEs, including anionic unit synthesis, polymer structure design, and film fabrication, along with simulation and experimental results in solid‐state lithium–metal battery applications. A perspective on current challenges, possible solutions, and potential research directions of SICPEs is also discussed to provide the research community with the critical technical aspects that may advance SICPEs as solid electrolytes in next‐generation energy storage systems.
Coexistence of severe developmental delay, epilepsy, and hemangioma in Snijders Blok‐Fisher syndrome suggests the presence of a POU3F3‐related SNIBFIS endophenotype: A case report
Authors: Torun Deniz , Arslan Mutluay , Yüksel Zafer 
Published: March 2021

AbstractPOU3F3 proteins are eukaryotic transcription factors and contribute to the processes in the development of brain and kidney. Pathogenic POU3F3 variants cause a neurodevelopmental disorder called Snijders Blok‐Fisher syndrome (SNIBFIS). This article reports a new SNIBFIS case harboring a novel heterozygous c.1018_1019delCAinsTT (p.Gln340Leu) variant in the POU3F3 gene. This variant affects the α2 helix of POU‐S domain and is predicted to be “pathogenic” by multiple in‐silico tools. The proband had severe intellectual disability, hypotonia, autistic features, sleep disturbances, and dysmorphic features. The association with epilepsy and hemangioma like two of the three previously reported patients with mutations in the POU‐S domain was also a remarkable finding to understand the importance of POU‐S domain. This clinical report also highlights the interest of reinterpretation of molecular data and brings a new perspective to the genotype–phenotype relationship in “Snijders Blok‐Fisher syndrome”.
Rules of Nucleophilic Additions to Zigzag Nanographene Diones**
Authors: Ribar Peter , Valenta Leoš , Šolomek Tomáš , Juríček Michal 
Published: March 2021

AbstractNucleophilic addition of carbon‐centered nucleophiles to nanographene ketones represents a valuable late‐stage method for the functionalization of zigzag nanographenes, but its use is rare in the chemical literature. Using two model systems, non‐Kekulé triangulene‐4,8‐dione and Kekulé anthanthrone, we identify unexpected regioselectivities and uncover the rules that govern these reactions. Considering the large number of nanographene ketones that have been reported since the pioneering work of Eric Clar, this method enables synthesis and exploration of hitherto unknown functionalized nanographenes.
Pseudo Natural Products—Chemical Evolution of Natural Product Structure
Authors: Karageorgis George , Foley Daniel J. , Laraia Luca , Brakmann Susanne , Waldmann Herbert 
Published: March 2021

AbstractPseudo‐natural products (PNPs) combine natural product (NP) fragments in novel arrangements not accessible by current biosynthesis pathways. As such they can be regarded as non‐biogenic fusions of NP‐derived fragments. They inherit key biological characteristics of the guiding natural product, such as chemical and physiological properties, yet define small molecule chemotypes with unprecedented or unexpected bioactivity. We iterate the design principles underpinning PNP scaffolds and highlight their syntheses and biological investigations. We provide a cheminformatic analysis of PNP collections assessing their molecular properties and shape diversity. We propose and discuss how the iterative analysis of NP structure, design, synthesis, and biological evaluation of PNPs can be regarded as a human‐driven branch of the evolution of natural products, that is, a chemical evolution of natural product structure.
Optical Manipulation of Subcellular Protein Translocation Using a Photoactivatable Covalent Labeling System
Authors: Kowada Toshiyuki , Arai Keisuke , Yoshimura Akimasa , Matsui Toshitaka , Kikuchi Kazuya , Mizukami Shin 
Published: March 2021

AbstractThe photoactivatable chemically induced dimerization (photo‐CID) technique for tag‐fused proteins is one of the most promising methods for regulating subcellular protein translocations and protein–protein interactions. However, light‐induced covalent protein dimerization in living cells has yet to be established, despite its various advantages. Herein, we developed a photoactivatable covalent protein‐labeling technology by applying a caged ligand to the BL‐tag system, a covalent protein labeling system that uses mutant β‐lactamase. We further developed CBHD, a caged protein dimerizer, using caged BL‐tag and HaloTag ligands, and achieved light‐induced protein translocation from the cytoplasm to subcellular regions. In addition, this covalent photo‐CID system enabled quick protein translocation to a laser‐illuminated microregion. These results indicate that the covalent photo‐CID system will expand the scope of CID applications in the optical manipulation of cellular functions.
Selective Prebiotic Synthesis of α‐Threofuranosyl Cytidine by Photochemical Anomerization
Authors: Colville Ben W. F. , Powner Matthew W. 
Published: March 2021

AbstractThe structure of life's first genetic polymer is a question of intense ongoing debate. The “RNA world theory” suggests RNA was life's first nucleic acid. However, ribonucleotides are complex chemical structures, and simpler nucleic acids, such as threose nucleic acid (TNA), can carry genetic information. In principle, nucleic acids like TNA could have played a vital role in the origins of life. The advent of any genetic polymer in life requires synthesis of its monomers. Here we demonstrate a high‐yielding, stereo‐, regio‐ and furanosyl‐selective prebiotic synthesis of threo‐cytidine 3, an essential component of TNA. Our synthesis uses key intermediates and reactions previously exploited in the prebiotic synthesis of the canonical pyrimidine ribonucleoside cytidine 1. Furthermore, we demonstrate that erythro‐specific 2′,3′‐cyclic phosphate synthesis provides a mechanism to photochemically select TNA cytidine. These results suggest that TNA may have coexisted with RNA during the emergence of life.
An Artificial Phase‐Transitional Underwater Bioglue with Robust and Switchable Adhesion Performance
Authors: Xiao Lingling , Wang Zili , Sun Yao , Li Bo , Wu Baiheng , Ma Chao , Petrovskii Vladislav S. , Gu Xinquan , Chen Dong , Potemkin Igor I. , Herrmann Andreas , Zhang Hongjie , Liu Kai 
Published: March 2021

AbstractComplex coacervation enables important wet adhesion processes in natural and artificial systems. However, existed synthetic coacervate adhesives show limited wet adhesion properties, non‐thermoresponsiveness, and inferior biodegradability, greatly hampering their translations. Herein, by harnessing supramolecular assembly and rational protein design, we present a temperature‐sensitive wet bioadhesive fabricated through recombinant protein and surfactant. Mechanical performance of the bioglue system is actively tunable with thermal triggers. In cold condition, adhesion strength of the bioadhesive was only about 50 kPa. By increasing temperature, the strength presented up to 600 kPa, which is remarkably stronger than other biological counterparts. This is probably due to the thermally triggered phase transition of the engineered protein and the formation of coacervate, thus leading to the enhanced wet adhesion bonding.
Unique Wolbachia strain wMelPlus increases heat stress resistance in Drosophila melanogaster
Authors: Burdina Elena V. , Bykov Roman A. , Menshanov Petr N. , Ilinsky Yury Yu. , Gruntenko Nataly Е. 
Published: March 2021

AbstractMaternally inherited endosymbiotic bacterium Wolbachia infects Drosophila melanogaster populations worldwide. Its genetic diversity includes several closely related genotypes, which can be attributed to two main genotype groups: wMel and wMelCS. Here, we studied eight D. melanogaster lines carrying the nuclear background of wild type interbred Bi90 line and cytoplasmic backgrounds with or without Wolbachia of different origin, each of which belongs to wMelCS genotype group. We analyzed the effect these seven Wolbachia strains had on the heat stress resistance and dopamine metabolism in D. melanogaster females. Survival under heat stress (38°C, 3 h 30 min) was increased only in the line infected with bacteria of the wMelPlus strain. At the same time, the activity of alkaline phosphatase (an enzyme regulating the pool of dopamine precursor tyrosine) was increased under normal conditions in females infected with all strains under study and retained the response to heat stress typical for the uninfected line. Thus, we found the unique Wolbachia strain that provides an increase of the host stress resistance, and demonstrated that the mechanism of this resistance is not dopamine‐mediated.
Assessing the Reactivity of Hard Carbon Anodes: Linking Material Properties with Electrochemical Response Upon Sodium‐ and Lithium‐Ion Storage
Authors: Moon Hyein , Zarrabeitia Maider , Frank Erik , Böse Olaf , Enterría Marina , Saurel Damien , Hasa Ivana , Passerini Stefano 
Published: March 2021

AbstractHard carbon (HC) is the negative electrode (anode) material of choice for sodium‐ion batteries (SIBs). Despite its advantages in terms of cost and sustainability, a comprehensive understanding of its microstructure is not complete yet, thus hindering a rational design of high‐performance HC electrodes. In this study, rather than investigating how the precursor and synthesis method influence on the electrochemical properties of HC anodes, we examine the microstructure and surface chemistry of three optimized HC anodes obtained from different precursors by using different synthesis routes. The main goal is to evaluate the influence of the final materials properties (in their optimized state) on the electrochemical reactivity in lithium and sodium cells after a comprehensive structural characterization performed by means of X‐ray photoelectron spectroscopy (XPS), wide‐angle X‐ray scattering (WAXS), Raman spectroscopy, scanning electron microscopy (SEM), and gas sorption measurements. The different electrochemical performance observed in terms of cycling stability and rate capability, and the stability of the solid electrolyte interphase (SEI) formed on the various HCs have been comprehensively investigated. A correlation of the material properties with their electrochemical response upon sodium and lithium uptake and release is clarified. By comparing the Na‐ and Li‐ion storage behavior, a structure‐function relation is identified.
A product‐limit estimator of the conditional survival function when cure status is partially known
Authors: Safari Wende Clarence , López‐de‐Ullibarri Ignacio , Jácome María Amalia 
Published: March 2021

AbstractWe introduce a nonparametric estimator of the conditional survival function in the mixture cure model for right‐censored data when cure status is partially known. The estimator is developed for the setting of a single continuous covariate but it can be extended to multiple covariates. It extends the estimator of Beran, which ignores cure status information. We obtain an almost sure representation, from which the strong consistency and asymptotic normality of the estimator are derived. Asymptotic expressions of the bias and variance demonstrate a reduction in the variance with respect to Beran's estimator. A simulation study shows that, if the bandwidth parameter is suitably chosen, our estimator performs better than others for an ample range of covariate values. A bootstrap bandwidth selector is proposed. Finally, the proposed estimator is applied to a real dataset studying survival of sarcoma patients.