bluuebunny/crossref_metadata_2025_split huggingface dataset:
Biodegradable Polymersomes with Structure Inherent Fluorescence and Targeting Capacity for Enhanced Photo‐Dynamic Therapy
Authors: Cao Shoupeng , Xia Yifeng , Shao Jingxin , Guo Beibei , Dong Yangyang , Pijpers Imke A. B. , Zhong Zhiyuan , Meng Fenghua , Abdelmohsen Loai K. E. A. , Williams David S. , van Hest Jan C. M. 
Published: May 2021

AbstractBiodegradable nanostructures displaying aggregation‐induced emission (AIE) are desirable from a biomedical point of view, due to the advantageous features of loading capacity, emission brightness, and fluorescence stability. Herein, biodegradable polymers comprising poly (ethylene glycol)‐block‐poly(caprolactone‐gradient‐trimethylene carbonate) (PEG‐P(CLgTMC)), with tetraphenylethylene pyridinium‐TMC (PAIE) side chains have been developed, which self‐assembled into well‐defined polymersomes. The resultant AIEgenic polymersomes are intrinsically fluorescent delivery vehicles. The presence of the pyridinium moiety endows the polymersomes with mitochondrial targeting ability, which improves the efficiency of co‐encapsulated photosensitizers and improves therapeutic index against cancer cells both in vitro and in vivo. This contribution showcases the ability to engineer AIEgenic polymersomes with structure inherent fluorescence and targeting capacity for enhanced photodynamic therapy.
Hierarchische Überstrukturen durch Kombination von kristallisationsinduzierter und molekularer Selbstassemblierung
Authors: Frank Andreas , Hils Christian , Weber Melina , Kreger Klaus , Schmalz Holger , Schmidt Hans‐Werner 
Published: May 2021

AbstractDie Kombination der Patch‐artigen Koronastruktur von oberflächenkompartimentierten Zylindermizellen mit der molekularen Selbstassemblierung von 1,3,5‐Benzoltricarboxamiden (BTAs) ermöglicht die Herstellung hierarchischer Überstrukturen mit Tannenzweig‐artiger Morphologie. Hierfür wurden Patch‐artige Zylindermizellen, die funktionelle tertiäre Aminogruppen in einem der Korona‐Patches aufweisen, mittels kristallisationsinduzierter Selbstassemblierung hergestellt und durch koaxiales Elektrospinnen auf einer Polystyrol‐Trägerfaser immobilisiert. Die erhaltenen Patch‐artigen Fasern wurden in eine wässrige Lösung eines mit tertiären Aminogruppen funktionalisierten BTA getaucht, um die Selbstassemblierung zu definierten Tannenzweig‐artigen Überstrukturen nach Verdampfen des Lösungsmittels zu induzieren. Definierte Überstrukturen werden nur erhalten, wenn die funktionellen tertiären Aminogruppen in den Oberflächenkompartimenten mit den peripheren Substituenten des BTA übereinstimmen. Dies wird auf eine lokale Erhöhung der BTA‐Konzentration an der Oberfläche der Patch‐artigen Polymerfasern zurückgeführt.
Bifunctional Borane Catalysis of a Hydride Transfer/Enantioselective [2+2] Cycloaddition Cascade
Authors: Zhang Ming , Wang Xiao‐Chen 
Published: May 2021

AbstractHerein, we present a mild and efficient method for synthesizing enantioenriched tetrahydroquinoline‐fused cyclobutenes through a cascade reaction between 1,2‐dihydroquinolines and alkynones with catalysis by chiral spiro‐bicyclic bisboranes. The bisboranes served two functions: first they catalyzed a hydride transfer to convert the 1,2‐dihydroquinoline substrate to a 1,4‐dihydroquinoline, and then they activated the alkynone substrate for an enantioselective [2+2] cycloaddition reaction with the 1,4‐dihydroquinoline generated in situ.
Amphiphilic Iodine(III) Reagents for the Lipophilization of Peptides in Water
Authors: Mishra Abhaya Kumar , Tessier Romain , Hari Durga Prasad , Waser Jerome 
Published: May 2021

AbstractWe report the functionalization of cysteine residues with lipophilic alkynes bearing a silyl group or an alkyl chain using amphiphilic ethynylbenziodoxolone reagents (EBXs). The reactions were carried out in buffer (pH 6 to 9), without organic co‐solvent or removal of oxygen, either at 37 °C or room temperature. The transformation led to a significant increase of peptide lipophilicity and worked for aromatic thiols, homocysteine, cysteine, and peptides containing 4 to 18 amino acids. His6‐Cys‐Ubiquitin was also alkynylated under physiological conditions. Under acidic conditions, the thioalkynes were converted into thioesters, which could be cleaved in the presence of hydroxylamine.
Preparation and characterization of hydrophilic and antibacterial silver decorated silica‐grafted‐poly(vinylpyrrolidone) (Ag‐SiO2‐PVP) nanoparticles for polymeric nanocomposites
Authors: Ahsani Mina , Sabouri Reza , Ulbricht Mathias , Hazrati Hossein , Jafarizad Abbas , Yegani Reza 
Published: May 2021

AbstractHydrophilic antibacterial silver decorated silica‐grafted‐poly(vinylpyrrolidone) (Ag‐SiO2‐PVP) nanoparticles were successfully synthesized in multiple steps. In this regard, silanization of the silica nanoparticles was performed with different concentrations of vinyltrimethoxysilane (VTS) to generate vinyl groups onto the nanoparticles surface. Obtained results showed that by increasing the VTS concentration the amount of vinyl groups on the surface of the silica nanoparticles increased while nanoparticles agglomeration did not occur. Then, poly(vinylpyrrolidone) PVP brushes were grafted onto the silanized silica nanoparticles (SiO2‐VTS) via grafting‐through polymerization method to obtain PVP‐grafted silica nanoparticles (SiO2‐PVP). Fourier transform infrared spectroscopy, thermal gravimetric analysis, and dynamic light scattering confirmed the successful generation of the vinyl groups and PVP brushes onto the silica nanoparticles. Finally, Ag‐SiO2‐PVP nanoparticles were prepared by synthesizing silver nanoparticles onto the SiO2‐PVP nanoparticles to render them antibacterial. Energy dispersive X‐ray spectroscopy showed that highest grafting of silver nanoparticles onto the SiO2‐PVP nanoparticles was obtained for the nanoparticles with highest content of vinyl groups. X‐ray photoelectron spectroscopy was used to identify the elements and their chemical structure for the synthesized nanoparticles. Plate colony counting method was applied to assess the antibacterial effects of the Ag‐SiO2‐PVP nanoparticles which revealed outstanding bactericidal properties of them.
Biodiesel production with enzymatic technology: progress and perspectives
Authors: Pasha Mustafa Kamal , Dai Lingmei , Liu Dehua , Du Wei , Guo Miao 
Published: May 2021

AbstractRapid changes in the global climate resulting from anthropogenic activities and greenhouse gas emissions from fossil resources are encouraging commercial and academic research to seek out new routes for the production of sustainable fuels. Biodiesel, as a renewable fuel, has long been recognized as one of the solutions to meet energy demand in a climate‐constrained world. Although, several routes have been devised for biodiesel production, the enzymatic route has attracted substantial research interest. Here we discuss enzymatic esterification / transesterification technology and its contribution to the green synthesis of biodiesel. This review provides a comprehensive assessment of the fundamentals of enzymatic reaction, such as the impact of different reaction components (lipase, acyl acceptor, substrate, and reaction media) on the process parameters, along with recent developments in improving enzymatic biodiesel production, such as different lipases, combinations of lipases, and two‐step methods. Kinetics and the mechanism of enzymatic reaction when lipase is used as a catalyst are also explained in greater detail. Finally, the opportunities and challenges for the development of potentially sustainable and eco‐friendly enzymatic biodiesel technology are discussed. © 2021 Society of Industrial Chemistry and John Wiley & Sons Ltd.
Forensic psychiatric evaluation of 187 homicidal assailants with and without a schizophrenia spectrum disorder: Clinical, criminological and behavioral characteristics
Authors: Carabellese Felice , Mandarelli Gabriele , Felthous Alan R. , Catanesi Roberto 
Published: May 2021

AbstractIntentional homicide, a declining phenomenon in Italy, represents one of the most extreme forms of violence. A specific subgroup of homicidal assailants is represented by those affected by mental disorders, where the relationship between psychopathology and characteristics of the homicidal attack is not yet fully understood. We analyzed the case files of 187 homicides or attempted homicides, in which the defendant had undergone a forensic psychiatric evaluation within the previous 10 years from a single forensic psychiatric center. We described and analyzed the perpetrator, victim and criminological characteristics of the study cases. A diagnosis of a schizophrenia spectrum disorder, a victim who was the perpetrator's biological child and absence of a personality disorder diagnosis were associated with an increased probability of having been adjudicated as lacking or having substantially diminished criminal responsibility due to a mental disorder. Homicidal assailants with a schizophrenia spectrum disorder showed some differences in criminological characteristics compared with murderers without a schizophrenic spectrum disorder, including a higher incidence of parricide, interruption of pharmacotherapy before the crime and disorganized post‐crime behavior.
A formal approach for Docker container deployment
Authors: Pratap Yadav Mahendra , Pal Nisha , Kumar Yadav Dharmendra 
Published: May 2021

AbstractContainer‐based virtualization is becoming increasingly popular in the cloud industry, as it provides services to the client as per their requirements. Requirements of the user can be described in a configuration file. Cloud provider offers the services to the client using “pay‐as‐you go” model. Docker provides support to a cloud provider for the creation of a container, deployment of the container, and monitoring of services running inside a container on the host and guest system both. The creation and deployment of the container by Docker efficiently is a big challenge. In this paper, we capture the behavior of the container life cycle through process algebra (CCS) and properties of it as a formula using ‐calculus. Further we capture the behavior of deployment of the container on the host machine through CCS and its properties through the model ‐ calculus. We used model checking tool Concurrency Workbench of the New Century to verify the creation of the Docker container as well as deployment of it.
The influence of the operator's experience on the microleakage of two universal adhesives
Authors: Shafiei Fereshteh , Dehghani Zahra , Jowkar Zahra 
Published: May 2021

AbstractObjectivesThis study aimed to investigate the influence of the operator's experience on the microleakage of two universal adhesives applied in self‐etch (SE) and etch‐and‐rinse (E&R) modes.Materials and methodsTwo class V cavities were prepared on the buccal and lingual surfaces of 112 caries‐free extracted human molars and were divided into eight groups based on the combination of the factors “adhesive system” (Tetric N‐Bond Universal Adhesive [TNU]; Scotchbond Universal Adhesive [SBU]), “adhesive strategy” (SE or E&R), and “the operators performing the procedures” (specialists in operative dentistry or intern students). After 24 h of water storage and thermocycling, the marginal microleakage was evaluated using the dye penetration technique and the data were analyzed.ResultsIn the SE mode, microleakage at the enamel margin for both adhesives was higher in the student group than in the specialist group (p values < 0.05). The operator's skill did not affect the microleakage scores of both adhesives applied in the E&R mode at the dentin and enamel margins or in the SE mode at the dentin margins (p > 0.05). The microleakage score was significantly higher at the dentin margins than the enamel margins for both universal adhesives applied in the E&R mode (p values <0.05).ConclusionThe microleakage values of the universal adhesives applied in the SE mode at the enamel margins were affected by the operator's skill. However, the operator's experience did not affect the microleakage scores of the two universal adhesives applied in the E&R mode at the enamel and dentin margins or in the SE mode at the dentin margins.
Structure‐Tailored Non‐Noble Metal‐based Ternary Chalcogenide Nanocrystals for Pt‐like Electrocatalytic Hydrogen Production
Authors: Sarkar Shreya , Rawat Abhishek , Das Tisita , Gaboardi Mattia , Chakraborty Sudip , Vinod C. P. , Peter Sebastian C. 
Published: May 2021

AbstractA facile microwave‐assisted strategy was employed to synthesize Ni3Bi2S2 nanocrystals. Variation in the synthesis conditions tuned the composition of monoclinic and orthorhombic phases of Ni3Bi2S2. The electrochemical hydrogen evolution activity of the catalyst with highest percentage of monoclinic phase demonstrated a negligible onset potential of only 24 mV close to that of state‐of‐the‐art Pt/C with an overpotential as low as 88 mV. Density functional theory calculations predicted the monoclinic phase exhibit the lowest adsorption free energy corresponding to hydrogen adsorption
and, therefore, the highest hydrogen evolution activity amongst the considered phases. The quasi‐2D structure of monoclinic phase facilitated an increased charge‐transfer between Ni and Bi, favoring the downward shift of the d‐band center to enhance the catalytic activity.
Specific phytochemicals in floral nectar up‐regulate genes involved in longevity regulation and xenobiotic metabolism, extending mosquito life span
Authors: Njoroge Teresia M. , Calla Bernarda , Berenbaum May R. , Stone Christopher M. 
Published: May 2021

AbstractDuring nectar feeding, mosquitoes ingest a plethora of phytochemicals present in nectar. The ecological and physiological impacts of these ingested phytochemicals on the disease vectors are poorly understood. In this study, we evaluated the effects of three nectar phytochemicals‐‐ caffeine, p‐coumaric acid, and quercetin‐‐on longevity, fecundity, and sugar‐feeding behavior of the Asian tiger mosquito (Aedes albopictus). Adult females of Ae. albopictus were provided continuous access to 10% sucrose supplemented with one of the three phytochemicals and their fecundity, longevity, and the amount of sucrose consumed determined. Transcriptome response of Ae. albopictus females to p‐coumaric acid and quercetin was also evaluated. Dietary quercetin and p‐coumaric acid enhanced the longevity of female Ae. albopictus, while caffeine resulted in reduced sugar consumption and enhanced fecundity of gravid females. RNA‐seq analyses identified 237 genes that were differentially expressed (DE) in mosquitoes consuming p‐coumaric acid or quercetin relative to mosquitoes consuming an unamended sucrose solution diet. Among the DE genes, several encoding antioxidant enzymes, cytochrome P450s, and heat shock proteins were upregulated, whereas histones were downregulated. Overall, our findings show that consuming certain nectar phytochemicals can enhance adult longevity of female Asian tiger mosquitoes, apparently by differentially regulating the expression level of genes involved in longevity and xenobiotic metabolism; this has potential impacts not only on life span but also on vectorial capacity and insecticide resistance.
Haloacetylated Enol Ethers: a Way Out for the Regioselective Synthesis of Biologically Active Heterocycles
Authors: Mittersteiner Mateus , Bonacorso Helio G. , Martins Marcos A. P. , Zanatta Nilo 
Published: May 2021

AbstractThis review describes advances in the synthesis of heterocyclic scaffolds (associated with their biological activity), using haloacetylated enol ethers as precursors. The wide variety of heterocycles that can be prepared using these precursors, together with the high regioselectivity they usually provide, in [3+2] and [3+3] cyclocondensation reactions, make these starting materials powerful tools. The biological evaluation is also highlighted, given that several analogues of commercially available drugs can be easily accessed.
An Improved Stereocontrolled Access Route to Piperidine or Azepane β‐Amino Esters and Azabicyclic β‐ and γ‐Lactams; Synthesis of Novel Functionalized Azaheterocyles
Authors: Ouchakour Lamiaa , Nonn Melinda , Remete Attila M. , Kiss Loránd 
Published: May 2021

AbstractAn improved, efficient synthesis of some functionalized saturated azaheterocycles has been accomplished by controlled functionalization of various readily available cyclic compounds containing ring C=C bond. The stereocontrolled synthetic concept was based on the oxidative ring cleavage of various unsaturated scaffolds across ozonolysis followed by ring closing with double reductive amination with primary alkylamines or fluorinated alkylamines. The protocol provided versatile azaheterocyclic derivatives with a piperidine or azepane framework.
Liquid electrolyte design for metal‐sulfur batteries: Mechanistic understanding and perspective
Authors: Zou Qingli , Lu Yi‐Chun 
Published: May 2021

AbstractMetal‐sulfur batteries have received intensive research attention owing to their potential to achieve higher energy density and lower cost than conventional Li‐ion batteries. However, metal‐sulfur batteries suffer from a fundamental challenge, the shuttle effect, the crossover of soluble reaction intermediates polysulfide leading to low efficiency and poor cycle life. Electrolyte design becomes the center of the sulfur redox chemistry since it dictates the properties of the soluble polysulfide intermediates in metal‐sulfur batteries. Here, we discuss the influence of electrolytes on sulfur reactions and cell performance, focusing on the polysulfide chemistry including polysulfide solubility and metal sulfide deposition. Based on the extensive analysis of literature, we highlight the design requirement of electrolytes to enable optimized sulfur reaction kinetic and realize high‐performance metal‐sulfur batteries.image
A new Markov regime‐switching count time series approach for forecasting initial public offering volumes and detecting issue cycles
Authors: Wang Xinyu , Ning Cathy 
Published: May 2021

AbstractThis study proposes a novel Markov regime‐switching negative binomial generalized autoregressive conditional heteroskedasticity model for analyzing count data time series. We develop a likelihood‐based method for parameter estimation and give the one‐step‐ahead forecasting algorithms for the mean, variance, and quantiles. An empirical analysis of both the U.S. initial public offering (IPO) and Chinese A‐share IPO markets indicates that our method is very efficient in forecasting monthly IPO volumes and detecting hot/cold issue markets. The first‐day IPO return is positively correlated with the IPO volume in a hot issue market but negatively correlated with the IPO volume in a cold issue market, in both the U.S. and Chinese IPO markets. However, the average first‐day return in the previous hot issue market has a significant positive impact on the current IPO volume for only the U.S. IPO market. Our approach helps to more accurately model and understand the behavior of hot/cold IPO issue markets.
GAB1‐ABL1 fusions in tumors that have histologic overlap with NTRK‐rearranged spindle cell tumors
Authors: Choo Florence , Rakheja Dinesh , Davis Lara E. , Davare Monika , Park Jason Y. , Timmons Charles F. , Neff Tanaya , Beadling Carol , Corless Christopher L. , Davis Jessica L. 
Published: May 2021

AbstractFibroblastic spindle cell tumors are a heterogeneous group of rare soft tissue tumors that are increasingly recognized as associated with a variety of kinase gene fusions. We report two cases of GAB1‐ABL1 fusions in spindle cell tumors that histologically overlap with neurotrophic tyrosine receptor kinase (NTRK)‐rearranged spindle cell tumors. The first case occurred in a 76‐year‐old female who had a large deep‐seated spindle cell tumor composed of monotonous ovoid to spindle cells in a background of thick stromal collagen bands with prominent hyalinized vessels and inconspicuous mitoses (<1/10 HPF). Immunohistochemical stains showed co‐expression of S100 and CD34. A GAB1‐ABL1 fusion was detected by whole transcriptome RNA sequencing. The patient had a partial response to imatinib. The second case was previously described as a solitary fibrous tumor, occurring in a 9‐year‐old female with a cellular spindle cell tumor with patchy CD34 immunoexpression but no expression of S100. Upon clinicopathologic re‐review, including anchored multiplex next‐generation sequencing, a GAB1‐ABL1 fusion was identified. In summary, we report the first two cases of spindle cell tumors with variable expression of CD34 and/or S100, driven by GAB1‐ABL1 gene fusions with histologic overlap with NTRK‐rearranged spindle cell tumors, suggesting that ABL‐fusions may also be oncogenic drivers within this spectrum of tumors. These cases highlight the evolving understanding of fibroblastic spindle cell tumor biology and the utility of sequencing in identifying a targetable alteration.
Challenges in developing capability measures for children and young people for use in the economic evaluation of health and care interventions
Authors: Mitchell Paul Mark , Husbands Samantha , Byford Sarah , Kinghorn Philip , Bailey Cara , Peters Tim J. , Coast Joanna 
Published: May 2021

AbstractMethods for measuring outcomes suitable for economic evaluations of health and care interventions have primarily focused on adults. The validity of such methods for children and young people is questionable in areas including the outcome domains measured and how they are measured and valued, with most existing measures narrowly focusing on health. Novel methods for assessing benefits beyond health by focusing on a person's capability have also concentrated on adults to date. This paper aims to set out the rationale for capability measures in children and young people. It argues for the need to expand the evaluative space beyond health functioning towards broader capabilities, with children and young people playing an integral role in capability measure development. Drawing from existing literature, specific challenges related to the identification, measurement, and valuation of capabilities in children and young people are also discussed. Finally, the practical implications for conducting economic evaluation when measuring and valuing capabilities at different stages across the life‐course are illustrated. We develop an alternative framework based on conceiving capabilities as evolving across the life‐course. This framework may also be helpful in thinking about how to model health outcomes across the life‐course.
Characteristics of Darcy–Forchheimer drag coefficients and velocity slip on the flow of micropolar nanofluid
Authors: Mathur Priya , Mishra S. R. , Pattnaik P. K. , Dash R. K. 
Published: May 2021

AbstractThe flow of magneto‐micropolar nanofluid, that is, the composition of TiO2 nanoparticles in an organic solvent, kerosene, and the normal water past a stretchable surface has been considered. With effectiveness idea on the application in several areas, the Darcy–Forchheimer inertial drag and the second‐order velocity slip approach are vital for the current investigation. The influence of viscous, Joule and Darcy dissipations on the energy transfer cannot be neglected due to the interaction of the body forces characterized by magnetic and porosity of the medium. The dissipative heat energy with the heat generation/absorption is useful for the enhancement in the fluid temperature. Due to the complexity of the problem, a numerical solution is implemented using the in‐built code bvp5c with the help of MATLAB software. The physical properties abide by the characterizing parameters that appeared in the flow profiles are presented via graphs and the computed results for the rate coefficients are also displayed through table both for water‐ and kerosene‐based nanofluids. Finally, the main findings of the results are: the growth in the shear rate coefficient is marked due to the inclusion of second‐order slip, and an attenuation in the fluid velocity is rendered with an increase in the volume fraction whereas impact is reversed in the case of nanofluid temperature.