bluuebunny/crossref_metadata_2025_split huggingface dataset:
Hybridized 4‐Trifluoromethyl‐(1,2,3‐triazol‐1‐yl)quinoline System: Synthesis, Photophysics, Selective DNA/HSA Bio‐interactions and Molecular Docking
Authors: Kappenberg Yuri G. , Stefanello Felipe S. , Zanatta Nilo , Martins Marcos A. P. , Nogara Pablo A. , Rocha João B. T. , Tisoco Isadora , Iglesias Bernardo A. , Bonacorso Helio G. 
Published: December 2021

AbstractThe synthesis, structural analysis, and evaluation of the photophysical properties of twelve novel 2‐aryl(heteroaryl)‐6‐(4‐alkyl(aryl)‐1H‐1,2,3‐triazol‐1‐yl)‐4‐(trifluoromethyl)quinolines (6‐8), where aryl(heteroaryl)=Ph, 4‐Me‐C6H4, 4‐F‐C6H4 and 2‐ furyl; 4‐alkyl(aryl)=−CH2OH, −(CH2)5CH3 and Ph, are reported. Hybrid scaffolds 6–8 were synthesized at 77–95 % yields by regioselective copper‐catalysed azide‐alkyne cycloaddition (CuAAC) reaction of unpublished 6‐azido‐4‐(trifluoromethyl)quinolines (2) with selected terminal alkynes (3–5). Azido intermediates 2 were obtained from the reaction of 6‐amino‐4‐(trifluoromethyl)quinolines (1) and sodium azide at good yields (78–87 %). Compounds 6–8 were structurally fully characterized by 1H−, 13C− and 19F− and 1H−13C 2D‐NMR (HSQC, HMBC) spectroscopy, X‐ray diffraction (SC‐XRD) and HRMS analysis. Moreover, the photophysical properties, DNA‐ and HSA‐binding experiments (bio‐interactions), and molecular docking studies for compounds 6–8 were performed. These are discussed and compared with similar compounds from recent research.
Cooling Heat Transfer of Supercritical CO2 in Diverging and Converging Microtubes
Authors: Yi Zhengming , Xu Yong , Chen Xiaolin 
Published: December 2021

AbstractThe motivation of this research was to solve the problem of heat transfer deterioration of supercritical CO2 in tubes. The cooling heat transfer of supercritical CO2 in diverging and converging microtubes was numerically studied. Under the conditions proposed, the heat transfer coefficient of the tube wall is relatively uniform. When the heat transfer coefficient becomes most uniform, the diameter change rate of the diverging microtube is greater than that of the converging microtube. Both the Richardson number and the relative difference of the heat transfer coefficient increase with increasing tube diameter, indicating that the buoyancy effect is the reason for different heat transfer coefficients in different flow directions.
Anomeric DNA: Functionalization of α‐d Anomers of 7‐Deaza‐2′‐deoxyadenosine and 2′‐Deoxyuridine with Clickable Side Chains and Click Adducts in Homochiral and Heterochiral Double Helices
Authors: Zhang Aigui , Leonard Peter , Seela Frank 
Published: December 2021

AbstractAnomeric base pairs in heterochiral DNA with strands in the α‐d and β‐d configurations and homochiral DNA with both strands in α‐d configuration were functionalized. The α‐d anomers of 2′‐deoxyuridine and 7‐deaza‐2′‐deoxyadenosine were synthesized and functionalized with clickable octadiynyl side chains. Nucleosides were protected and converted to phosphoramidites. Solid‐phase synthesis furnished 12‐mer oligonucleotides, which were hybridized. Pyrene click adducts display fluorescence, a few of them with excimer emission. Tm values and thermodynamic data revealed the following order of duplex stability α/α‐d≫β/β‐d≥α/β‐d. CD spectra disclosed that conformational changes occur during hybridization. Functionalized DNAs were modeled and energy minimized. Clickable side chains and bulky click adducts are well accommodated in the grooves of anomeric DNA. The investigation shows for the first time that anomeric DNAs can be functionalized in the same way as canonical DNA for potential applications in nucleic acid chemistry, chemical biology, and DNA material science.
Sonodynamic Therapy with Metal Complexes: A New Promise in Cancer Therapy
Authors: Kumar Yadav Ashish , Kumar Narendra , Talim Khan Abdul , Kushwaha Rajesh , Banerjee Samya 
Published: December 2021

AbstractIn recent years, to overcome the problem of low tissue penetration power of light in photodynamic therapy (PDT), sonodynamic therapy (SDT) with ultrasound (US) as the drug stimulus has emerged as a potential alternative to PDT. The significantly higher tissue penetration capacity of US is reported to allow the treatment of deep‐seated tumours. In general, organic molecules and nanomaterials dominate as the sonosensitizers in this area of research, and the potential of metal complexes in SDT is not yet well explored. In this highlight, we have summarized two recent literature reports in which researchers have explored the efficiency of metal complexes as sonosensitizers for the first time. These reports indicate the high potential of metal complexes in SDT.
Resistive‐pulse Sensing of DNA with a Polymeric Nanopore Sensor and Characterization of DNA Translocation
Authors: Kececi Kaan , Kaya Dila , Martin Charles R. 
Published: December 2021

AbstractThe ability to detect DNA strands and determine their characteristics in solution plays a critical role to design a sensor in terms of its biophysical properties and receives attention in whole‐ genome sequencing. In this study, we report a simple method to detect 100‐bp DNA based on resistive‐pulse sensing and its characteristics in terms of analyte concentration, potential, tip size. and electrolyte concentration. Track‐etched polyethyleneterephtalate (PET) nanopores were used and modified (w/EDC‐NHS coupling) to decrease the negative surface charge and promote DNA translocation. We tuned up the tip diameters of nanopores by using symmetric and asymmetric chemical etching. The tip diameters ranged from 21 nm to 42 nm. To show the electrophoretic nature of translocation, we investigated the concentration and potential dependence. The current‐pulse events were observed down to 600 mV (4±1 events/min) and 0.25 nM was the minimum concentration. Both potential and concentration dependence showed linear behavior which agreed to previous studies. The effect of tip size was also studied and its effect on translocation frequency was discussed. Finally, the change in current‐pulse amplitude and duration as a function of electrolyte concentration was studied and longer duration values (14.3±1.4 ms) were observed. Our findings provide a guide to translocate the charged molecules more efficiently and help to understand the translocation dynamics of short DNA molecules in resistive‐pulse sensing.
An efficient cloud‐based healthcare services paradigm for chronic kidney disease prediction application using boosted support vector machine
Authors: Aswini J. , Yamini B. , Jatothu Rajaram , Nayaki K. Sankara , Nalini M. 
Published: December 2021

AbstractCloud computing is the on‐demand access to computer resources such as applications, servers, data storage, development tools, networking capabilities, and other resources that are held in a remote data center maintained by a cloud services provider(CSP) and accessible over the internet. The limited resources and higher time consumption are the major issues faced by cloud users. The appropriate selection of virtual machines (VMs) is used to maximize cloud resource usage and reduce task execution time for the clients (patients, physicians, etc.). In this article, we have introduced an efficient cloud‐based healthcare services paradigm (HCS). The opposition‐based Laplacian equilibrium optimizer (O‐LEO) algorithm is used to select optimal VMs in which the maximization of resource utilization and minimization of task execution time is performed. Additionally, the boosted support vector machine (SVM) effectively predicts chronic kidney disease (CKD) thereby ensuring better prediction results. The CloudSim platform is used as the implementation platform of the proposed method. The overall time taken by the O‐LEO‐based CloudSim is less than the standard Cloud Sim model to create three cloudlets which improve the system efficiency by 6%. When compared with the existing techniques, both the O‐LEO and boosted SVM classifier outperforms superior performances.
Effect of CYP3A5 and CYP3A4 Genetic Variants on Fentanyl Pharmacokinetics in a Pediatric Population
Authors: Williams Michael L. , Kannankeril Prince J. , Breeyear Joseph H. , Edwards Todd L. , Van Driest Sara L. , Choi Leena 
Published: December 2021

Fentanyl is an anesthetic/analgesic commonly used in surgical and recovery settings. CYP3A4 and CYP3A5 encode enzymes, which metabolize fentanyl; genetic variants in these genes impact fentanyl pharmacokinetics in adults. Pharmacokinetic (PK) studies are difficult to replicate in children due to the burden of additional blood taken solely for research purposes. The aim of this study is to test the effect of CYP3A5 and CYP3A4 genetic variants on fentanyl PKs in children using opportunistically collected samples. Fentanyl concentrations were measured from remnant blood specimens and dosing data were extracted from electronic health records. Variant data defining CYP3A4*1G and CYP3A5*3 and *6 alleles were available from prior genotyping; alleles with no variant were defined as *1. The study cohort included 434 individuals (median age 9 months, 52% male subjects) and 1,937 fentanyl concentrations were available. A two‐compartment model was selected as the base model, and the final covariate model included age, weight, and surgical severity score. Clearance was significantly associated with either CYP3A5*3 or CYP3A5*6 alleles, but not the CYP3A4*1G allele. A genotype of CYP3A5*1/*3 or CYP3A5*1/*6 (i.e., intermediate metabolizer status) was associated with a 0.84‐fold (95% confidence interval (CI): 0.71–1.00) reduction in clearance vs. CYP3A5*1/*1 (i.e., normal metabolizer status). CYP3A5*3/*3, CYP3A5*3/*6, or CYP3A5*6/*6 (i.e., poor metabolizer status) was associated with a 0.76‐fold (95% CI: 0.58–0.99) reduction in clearance. In the final model, expected clearance was 8.9 and 6.8 L/hour for a normal and poor metabolizer, respectively, with median population covariates (9 months old, 7.7 kg, low surgical severity).
Chemical Synthesis of the Anti‐COVID‐19 Drug Remdesivir
Authors: Wang Mo , Zhang Lu , Huo Xiaohong , Zhang Zhenfeng , Zhang Wanbin 
Published: December 2021

AbstractRemdesivir has become an important compound for the treatment of COVID‐19. Here, we describe the catalytic asymmetric synthesis of this anti‐COVID‐19 drug. First, the P‐racemic phosphoryl chloride is synthesized in a facile procedure. Then, it is possible to obtain the protected remdesivir via the organocatalytic asymmetric phosphorylation of protected nucleoside GS441524 with P‐racemic phosphoryl chloride catalyzed by chiral bicyclic imidazole. Finally, remdesivir is easily prepared by deprotection. © 2021 Wiley Periodicals LLC.Basic Protocol 1: Synthesis of 2‐ethylbutyl (chloro(phenoxy)phosphoryl)‐L‐alaninate rac‐4Basic Protocol 2: Synthesis of chiral bicyclic imidazole Ad‐DPIBasic Protocol 3: Synthesis of remdesivir
Decellularized Extracellular Matrix for Cell Biology
Authors: Hoshiba Takashi 
Published: December 2021

AbstractThe extracellular matrix (ECM) is an architecture that supports the cells in our bodies and regulates various cell functions. The ECM is composed of many proteins and carbohydrates, and these molecules activate various intracellular signaling pathways orchestrated to decide cell fates. Therefore, it is not enough to study the role of single ECM molecules to understand the roles of the ECM in the regulation of cell functions; it is necessary to understand how the ECM, as an assembly of various molecules, regulates cell functions as a whole. For this purpose, in vitro ECM models mimicking native ECM are required. Here, a decellularization technique is presented to reconstitute native ECM in vitro. In this article, methods for preparing decellularized ECM (dECM) are described for use in tumor and stem cell biology. Additionally, a method for confirmation of decellularization and a dECM modification method are described. These dECM types will be useful for comprehensive studies of ECM roles. © 2021 Wiley Periodicals LLC.Basic Protocol 1: Preparation of in vitro extracellular matrix (ECM) models mimicking native ECM in different malignant tumor tissuesBasic Protocol 2: Preparation of in vitro ECM models mimicking native ECM surrounding myoblasts differentiating into myotubes at each myogenic stageSupport Protocol 1: Confirmation of myogenic stages by myogenic stages by myogenic gene expression analysisBasic Protocol 3: Confirmation of cell removalBasic Protocol 4: Reduction of chondroitin sulfate chains in cultured cell–derived decellularized ECMSupport Protocol 2: Quantification of chondroitin sulfate chain amounts in the decellularized ECM
Sucking of human blood byPlacobdella costata(O. F. Müller, 1846) (Hirudinida: Glossiphoniidae): Case study with notes on body form
Authors: Cichocka Joanna M. , Bielecki Aleksander , Jabłońska‐Barna Izabela , Krajewski Łukasz , Topolska Katarzyna , Hildebrand Joanna , Dmitryjuk Małgorzata , Biedunkiewicz Anna , Abramchuk Andrei 
Published: December 2021

AbstractFour events ofPlacobdella costatasucking human blood are described.Human blood was sucked by both adult and juvenile specimens ofP.costata.The feeding strategies of juveniles under parental care are presented.New data on juvenile specimens' body form are presented.Information on the potential role of mammals in dispersion and habitat preferences of leechesP.costatais considered.
Whole genome sequencing of marine organisms by Oxford Nanopore Technologies: Assessment and optimization of HMW‐DNA extraction protocols
Authors: Boughattas Sonia , Albatesh Dana , Al‐Khater Albandari , Giraldes Bruno W. , Althani Asma A. , Benslimane Fatiha M. 
Published: December 2021

AbstractMarine habitats are Earth's largest aquatic ecosystems, yet little is known about marine organism's genomes. Molecular studies can unravel their genetics print, thus shedding light on specie's adaptation and speciation with precise authentication. However, extracting high molecular weight DNA from marine organisms and subsequent DNA library preparation for whole genome sequencing is challenging. The challenges can be explained by excessive metabolites secretion that co‐precipitates with DNA and barricades their sequencing. In this work, we sought to resolve this issue by describing an optimized isolation method and comparing its performance with the most commonly reported protocols or commercial kits: SDS/phenol–chloroform method, Qiagen Genomic Tips kit, Qiagen DNeasy Plant mini kit, a modified protocol of Qiagen DNeasy Plant kit, Qiagen DNeasy Blood and Tissue kit, and Qiagen Qiamp DNA Stool mini kit. Our method proved to work significantly better for different marine species regardless of their shape, consistency, and sample preservation, improving Oxford Nanopore Technologies sequencing yield by 39 folds for Spirobranchus sp. and enabling generation of almost 10 GB data per flow cell/run for Chrysaora sp. and Palaemon sp. samples.
Annual performance assessment of an off‐grid and self‐sufficient sustainable climate refuge for hot arid climates
Authors: Niaz Fariha , Bicer Yusuf 
Published: December 2021

AbstractTo overcome the problem of walking in the scorching heat and to encourage people to use more public transport (ie, trams and metros), the idea of sustainable climate refuge shelter is highly needed. In this study, the proposed shelter includes semi‐transparent photovoltaic cells located on the roof integrated with batteries to keep the system running at nighttime and in unfavorable irradiation conditions. An atmospheric water generator for freshwater production is employed for drinking and water misting in addition to a vapor compression cooling system with a fan. Freshwater is collected by extracting water from humid air through cooling with dehumidification. The system is analyzed thermodynamically through energy and exergy efficiencies. The overall energy and exergy efficiencies of the system are 19.45% and 9.58%, respectively. The electrical efficiency of the photovoltaic cells decreases from 16.87% to 15.24% with an increase in cell temperature from 309 K to 315 K. Hourly analysis of the proposed system for the whole year is performed to evaluate the energy profile. The proposed system generates electricity in winters that is sufficient to keep the system operational for 2 days (only for drinking water requirement), but in the summers, only 24 h due to extensive cooling load. The effects of several parameters such as irradiance, ambient temperature, relative humidity, transmittance, and occupancy rate are studied.
Microencapsulation of roselle (Hibiscus sabdariffa L.) anthocyanins: Effects of drying conditions on some physicochemical properties and antioxidant activities of spray‐dried powder
Authors: Nguyen Quoc‐Duy , Dang Thanh‐Thuy , Nguyen Thi‐Van‐Linh , Nguyen Thi‐Thuy‐Dung , Nguyen Nhu‐Ngoc 
Published: December 2021

AbstractAnthocyanins are important phytochemical compounds in nature that are of interest not only for their health benefits such as antioxidant, anti‐inflammatory, and anti‐carcinogenic properties, but also for their role in imparting attractive and characteristic color to food products. In this study, anthocyanins from hibiscus (Hibiscus sabdariffa L.) calyces were microencapsulated by spray‐drying technique using maltodextrin as the carrier. The experiment was carried out in the full factorial design with two factors, namely inlet temperature (150, 160, and 170°C) and anthocyanin to maltodextrin mass ratio (1:50, 1:60, 1:70, 1:80, 1:90, and 1:100) with the aim of investigating the effect of spray drying conditions on phenolic content, anthocyanin, antioxidant activity, and color of spray‐dried hibiscus powder. The results showed that increasing the carrier ratio significantly reduced the antioxidant content and their activities in the powder. However, the high level of carriers exhibited a protective effect in encapsulating anthocyanin compounds into the maltodextrin matrix, which was demonstrated by high encapsulation efficiency (>85%) observed in the samples prepared at a ratio of 1:100. It should be highlighted that although high temperature (170°C) reduced total anthocyanin concentration, it actually enhanced total phenolic content. In addition, the moisture content of the powder declined with increasing carrier ratio and inlet temperature, and it was found to be in the range of 5.57%–10.19% in the powder. With solubility greater than 93.71%, the total phenolic and total anthocyanin content of spray‐dried hibiscus powder were 31.5–41.9 (mg gallic acid equivalent/g of dry powder) and 6.08–10.47 (mg cyanidin‐3‐glucoside/g of dry powder), respectively.
A trend factor in commodity futures markets: Any economic gains from using information over investment horizons?
Authors: Han Yufeng , Kong Lingfei 
Published: December 2021

AbstractThis paper identifies a trend factor that exploits the short‐, intermediate‐, and long‐run moving averages of settlement prices in commodity futures markets. The trend factor generates statistically and economically large returns during the post‐financialization period 2004–2020. It outperforms the well‐known momentum factor by more than nine times the Sharpe ratio and has less downside risk. The trend factor cannot be explained by the existing factor models and is priced cross‐sectionally. Finally, we find that the trend factor is correlated with funding liquidity measured by the TED spread. Overall, the results indicate that there are significant economic gains from using the information on historical prices in commodity futures markets.
Groupitizing modifies neural coding of numerosity
Authors: Maldonado Moscoso Paula A. , Greenlee Mark W. , Anobile Giovanni , Arrighi Roberto , Burr David C. , Castaldi Elisa 
Published: December 2021

AbstractNumerical estimation of arrays of objects is faster and more accurate when items can be clustered into groups, a phenomenon termed “groupitizing.” Grouping can facilitate segregation into subitizable “chunks,” each easily estimated, then summed. The current study investigates whether spatial grouping of arrays drives specific neural responses during numerical estimation, reflecting strategies such as exact calculation and fact retrieval. Fourteen adults were scanned with fMRI while estimating either the numerosity or shape of arrays of items, either randomly distributed or spatially grouped. Numerosity estimation of both classes of stimuli elicited common activation of a right lateralized frontoparietal network. Grouped stimuli additionally recruited regions in the left hemisphere and bilaterally in the angular gyrus. Multivariate pattern analysis showed that classifiers trained with the pattern of neural activations read out from parietal regions, but not from the primary visual areas, can decode different numerosities both within and across spatial arrangements. The behavioral numerical acuity correlated with the decoding performance of the parietal but not with occipital regions. Overall, this experiment suggests that the estimation of grouped stimuli relies on the approximate number system for numerosity estimation, but additionally recruits regions involved in calculation.
The role of climate change and human interventions in affecting watershed runoff responses
Authors: Senbeta Tesfaye Belay , Romanowicz Renata Julita 
Published: December 2021

AbstractIdentifying the role of the two main driving factors—climate change and human interventions—in influencing runoff processes is essential for sustainable water resources management. For this purpose, runoff regime change detection methods were used to divide the available hydroclimatic variables into a baseline and a disturbed period. We applied hydrological modelling and the climate elasticity of runoff method to determine the contribution of climate change and human interventions to changes in runoff. The hydrological model, SWAT, was calibrated during the baseline period and used to simulate the naturalized runoff pattern for the disturbed period. Significant changes in runoff in the study watershed were detected from 1982, suggesting that human interventions play a dominant role in influencing runoff. The combined effects of climate change and human interventions resulted in a 41.3 mm (23.9%) decrease in runoff during the disturbed period, contributing about 40% and 60% to the total runoff change, respectively. Furthermore, analysis of changes in land cover dynamics in the watershed over the past four decades supported these changes in runoff. Contrary to other decades, the discrepancy between naturalized and observed runoff was small in the 2010s, likely due to increased baseflow as a result of storage and/or release of excess water during the dry season. This study contributes to our understanding of how climate change and human interventions affect hydrological responses of watersheds, which is important for future sustainable water management and drought adaptation.