bluuebunny/crossref_metadata_2025_split huggingface dataset:
Exploring the raw materials and technological practice to obtain red and black surfaces of Apulian red figure pottery by Raman and SEM‐EDS investigations
Authors: Forleo Tiziana , Giannossa Lorena Carla , Laviano Rocco , Mangone Annarosa 
Published: January 2022

AbstractIn this paper, 4th century BC Apulian red vases, from sites among the most relevant in Apulia (Italy), are studied by means of Raman spectroscopy. The effectiveness of this technique in the archaeometric research is emphasized, particularly regarding the manufacturing procedures and raw materials of black and red surfaces. Scanning Electron Microscopy and Energy Dispersive X‐ray Spectroscopy (SEM‐EDS) analyses are carried out jointly with Raman spectroscopy in order to complete the morphological and chemical information. The results show that two different clays have been employed for black gloss and ceramic body. The black gloss proves composed of the finest fraction of terre rosse—very common all over Apulia—with no organic material added to its clayey suspension. Traces of carbon found on the surfaces can be ascribed to fly ash deposited during the firing process. This research highlights that two more methods besides red engobe were used by Apulian potters to color red the surface of whitish/grayish vases realized with local raw materials, namely, the addition of either “miltos” or a clayey layer enriched in Fe oxides. A multi‐step firing (ox‐red‐ox), reaching the maximum temperature of about 900°C, can be deduced from the different mineralogical phases identified through Raman. The possibility of gaining information on the hematite particles size from the position of its characteristic Raman bands is successfully investigated, allowing to get clues on the presence of a surface layer in a nondestructive manner by comparing the particle size there and in the ceramic body.
Effect of cooking methods on the edible, nutritive qualities and volatile flavor compounds of rabbit meat
Authors: Rao Jia‐Wei , Meng Fan‐Bing , Li Yun‐Cheng , Chen Wei‐Jun , Liu Da‐Yu , Zhang Jia‐Min 
Published: January 2022

AbstractBACKGROUNDRabbit meat is a good edible meat source with high nutritional values. Cooking has a significant impact on the edible properties, nutritional qualities and flavor characteristics of meat. Studying the effect of cooking methods on rabbit meat qualities could encourage more understanding and acceptance of rabbit meat by consumers, and could also provide some reference for rabbit meat processing. Therefore, the effects of boiling, sous‐vide cooking, steaming, microwaving, roasting, frying and pressure cooking on the edible, nutritive and volatile qualities of rabbit meat were investigated.RESULTSThe sous‐vide cooked rabbit meat sample showed higher moisture content, water‐holding capacity and lower cooking losses than other samples, but the results of roasted rabbit meat sample were the opposite, and scanning electron microscopy observations also verified the results. There was no significant difference in 2‐thiobarbituric acid reactive substance (TBARS) value in the cooked samples except for roasting. Microwaving, roasting and frying exhibited stronger antioxidant activity than the other cooked samples after in vitro digestion. A total of 38 volatiles were identified in the cooked meat samples, and the samples were well divided into four groups by principal component analysis, and 13 volatiles were considered discriminatory variables for the cooked rabbit meat.CONCLUSIONThe physicochemical characteristics of cooked meat differed significantly between the processing methods. Roasted meat showed lower TBARS value and stronger antioxidant activity after simulated digestion compared to the other meats. However, pressure cooked meat detected the most volatile components while roasting the least. © 2022 Society of Chemical Industry.
Amphiphilic Peptoid‐Directed Assembly of Oligoanilines into Highly Crystalline Conducting Nanotubes
Authors: Li Zhiliang , Tran Duyen K. , Nguyen Mary , Jian Tengyue , Yan Feng , Jenekhe Samson A. , Chen Chun‐Long 
Published: January 2022

AbstractIt is reported herein the synthesis of a novel amphiphilic diblock peptoid bearing a terminal conjugated oligoaniline and its self‐assembly into small‐diameter (D ≈ 35 nm) crystalline nanotubes with high aspect ratios (>30). It is shown that both tetraaniline (TANI)‐peptoid and bianiline (BANI)‐peptoid triblock molecules self‐assemble in solution to form rugged highly crystalline nanotubes that are very stable to protonic acid doping and de‐doping processes. The similarity of the crystalline tubular structure of the nanotube assemblies revealed by electron microscopy imaging, and X‐ray diffraction analysis of the nanotube assemblies of TANI‐functionalized peptoids and nonfunctionalized peptoids showed that the peptoid is an efficient ordered structure directing motif for conjugated oligomers. Films of doped TANI‐peptoid nanotubes has a dc conductivity of ca. 95 mS cm−1, while the thin films of doped un‐assembled TANI‐peptoids show a factor of 5.6 lower conductivity, demonstrating impact of the favorable crystalline ordering of the assemblies on electrical transport. These results demonstrate that peptoid‐directed supramolecular assembly of tethered π‐conjugated oligo(aniline) exemplify a novel general strategy for creating rugged ordered and complex nanostructures that have useful electronic and optoelectronic properties.
Development of a method to determine the SFC in the fat phase of emulsions using TD‐NMR FID‐CPMG deconvolution
Authors: Declerck Arnout , Vermeir Lien , Nelis Veronique , Dewettinck Koen , Van der Meeren Paul 
Published: January 2022

AbstractFat crystallisation in emulsions is a complex process. One of the important parameters is the solid fat content (SFC). Up to now, there is no standardised method to measure the SFC in emulsions, let alone to determine the SFC of the fat inside droplets, thus avoiding the signal of the aqueous phase. This work evaluates the capabilities of deconvolution of the free induction decay (FID)‐Carr–Purcell–Meiboom–Gill (CPMG) signal of emulsions. Three models were evaluated. The first model was a combination of a Gaussian function and a bi‐exponential function (GBE model). The second model combined a Gaussian function with multiple exponential functions (GME model). The last model contained multiple Gaussian functions and multiple exponential functions (MGME model). The latter two models used a simplified CONTIN analysis. Based on the analysis of the determination coefficient R2, the calculated water content and the estimated SFC of nonemulsified two‐phase systems, the GBE model was selected to analyse the FID‐CPMG signal of emulsified systems. However, the results obtained with the other models did not differ substantially, and hence, they could be used to obtain a full relaxation time distribution. When the GBE model was applied on different emulsion systems, no significant differences in estimated SFC of the fat phase were found, thus indicating that the emulsion formulation (i.e. water‐in‐oil [W/O], oil‐in‐water [O/W] or water‐in‐oil‐in‐water [W/O/W]) only had a minor effect on the SFC in the systems considered here.
MP3RAGE: Simultaneous mapping of T1 and B1+ in human brain at 7T
Authors: Olsson Hampus , Andersen Mads , Kadhim Mustafa , Helms Gunther 
Published: January 2022

PurposeTo map T1 and the local flip angle () in human brain using a single MP3RAGE sequence with 3 rapid acquisitions of gradient echoes (RAGEs).Theory and methodsA third RAGE with a relatively high flip angle was appended to an MP2RAGE sequence. Through curve fitting and a rational approximation for small flip angles and short TR, closed form solutions for T1 and were derived. The influence of different k‐space encoding schemes on precision and whether edge enhancement artifacts could be reduced with a saturation pulse applied prior to the third RAGE were explored. Validation of T1 estimates was performed using single‐slice inversion recovery (IR) and a subsequent region‐of‐interest–based comparison, whereas validation of was performed using a whole brain pixelwise comparison to a DREAM flip angle mapping protocol. Lastly, MP3RAGE was compared to T1‐mapping by MP2RAGE with separate correction.ResultsWhole brain maps of T1 and at 1 mm isotropic resolution were obtained with MP3RAGE in 06:37 min. A linear–reverse centric–reverse centric phase‐encoding order of the 3 RAGEs improved precision, and artifacts were successfully reduced with the saturation pulse. Estimations of T1 and deviated +2.5 ± 3.1% and −1.7 ± 8.6% from their respective references.ConclusionT1 and can be mapped simultaneously using MP3RAGE. The approach can be thought of as combining MP2RAGE with a dual flip angle T1‐mapping protocol. Both maps can be solved for analytically and will be inherently co‐registered at the high resolution associated with MPRAGE.
An integrated long‐wavelength statics method applied to seismic processing of Tibetan permafrost
Authors: Liu Zhiwei , Feng Haixin , Lu Ying , Gao Yang , Zhou Lei 
Published: January 2022

ABSTRACTPermafrost in high‐altitude regions complicates near‐surface modelling and exacerbates static effects during seismic processing and interpretation, especially in the form of long‐wavelength issues in cases where it extends laterally beyond the length of the seismic wavelength. The long‐wavelength component of static corrections (statics) for permafrost when solved using a single conventional method is prone to seismic imaging artefacts due to limited field layouts and unmet preconditions. The nonlinearity between the velocities and the thickness from low‐velocity near surface to high‐velocity bedrocks ulteriorly complicates near‐surface modelling for long‐wavelength statics by first‐arrival inversion. Combining the advantages of as much long‐wavelength characteristics as possible associated with the permafrost and rugged topography, we estimate an integrated long‐wavelength statics method including tomographic inversion and refraction residual statics. The integrated method can approximate linearized near‐surface modelling through multi‐step processing. An example from the Qiangtang Basin (central Qinghai–Tibet Plateau) suggests that the integrated method is capable of gradual refining complex near‐surface modelling and long‐wavelength statics and eliminates upward‐stretching abnormalities caused by Tibetan permafrost.
Experimental investigation and molecular dynamics simulations of plasma treatment on the interface strength of overmolded hybrid fiber reinforced polypropylene composites
Authors: Tang Huaping , Shi Wuping , Ding Yudong , Miao Tianyu , Fu Liang , Zhou Mingyong , Zhai Zhanyu 
Published: January 2022

AbstractOvermolded hybrid fiber reinforced thermoplastic composites (hybrid thermoplastic composites) composed of continuous fiber and short fiber reinforcement benefit from high mechanical performance, geometric complexity as well as low production cycle times. The effective bonding of continuous fiber reinforced part and injection molding compounds plays a vital role in controlling the mechanical performance of hybrid composites. In this present work, plasma treatment was applied on continuous fiber reinforced polypropylene composites laminate for increasing interface strength of hybrid composites. The effect of the plasma treatment was studied through experiments and molecular dynamics (MD) simulation. The results show that plasma treatment increases the interface strength of hybrid composites because of the generation of polar groups of OH, COOH, and NH2. The contribution of each aspect to the improved interface strength was quantified by MD simulation. It is found that these active functional groups can promote the diffusion coefficient at interface. Moreover, the introduction of NH2 is more likely to enhance the bonding strength from the perspective of generated interaction energy at the interface.
Effect of side groups on the properties of silicon‐containing arylacetylene resins
Authors: Liu Xiaotian , Ma Manping , Li Chuan , Tang Junkun , Yuan Qiaolong , Huang Farong 
Published: January 2022

AbstractFour silicon‐containing arylacetylene resins were synthesized by polycondensation of Grignard reagent of m‐diethynylbenzene with methylethyldichlorosilane, dimethyldichlorosilane, methylphenyldichlorosilane, and diphenyldichlorosilane, respectively. The structures of the resins were verified by nuclear magnetic resonance spectroscopy and Fourier transform infrared (FTIR) spectroscopy. The solubility, crystallinity, and rheological character of the resins were characterized. The curing behavior was traced by differential scanning calorimetry (DSC) and FTIR analyses. The effect of the side groups on the silicon atom on the properties was investigated. The results show that the resins with asymmetrical side groups display better processability (wide processing window) as compared with those with symmetrical side groups. The resin with side phenyl groups shows higher flexural strength but lower thermal stability as compared with those without side phenyl groups. Meanwhile, the side phenyl groups also enhance the temperature at which secondary relaxation occurs.
Estimation for iron contamination in Si solar cell by ideality factor: Deep neural network approach
Authors: Olikh Oleg , Lozitsky Oleg , Zavhorodnii Oleksii 
Published: January 2022

AbstractDefect‐assisted recombination often restricts the performance of photovoltaic devices, and in order to mass‐produce reliable solar cells, low‐cost express methods are in demand, which could monitor contamination during the process of manufacture. In our work, we applied the deep learning‐based approach for estimating iron concentration in silicon solar cells by using ideality factor. The simulation of solar cells with the back surface field design for generating labeled training and test datasets was performed using SCAPS‐1D software. Our results demonstrate that deep neural networks can predict iron concentration using the ideality factor, temperature, base‐thickness, and doping level of solar cells. Our simulation showed smaller prediction errors at high doping level, low temperature, and the two values of ideality factor: the first one for structures containing only iron interstitial atoms and the second for structures where Fei and iron–boron pairs coexist. The proposed method was tested on real silicon structures.
The amyloid concentric β‐barrel hypothesis: Models of amyloid beta 42 oligomers and annular protofibrils
Authors: Durell Stewart R. , Kayed Rakez , Guy H. Robert 
Published: January 2022

AbstractAmyloid beta (Aβ) peptides are a major contributor to Alzheimer's disease. They occur in differing lengths, each of which forms a multitude of assembly types. The most toxic soluble oligomers are formed by Aβ42; some of which have antiparallel β‐sheets. Previously, our group proposed molecular models of Aβ42 hexamers in which the C‐terminus third of the peptide (S3) forms an antiparallel 6‐stranded β‐barrel that is surrounded by an antiparallel barrel formed by the more polar N‐terminus (S1) and middle (S2) portions. These hexamers were proposed to act as seeds from which dodecamers, octadecamers, both smooth annular protofibrils (sAPFs) and beaded annular protofibrils (bAPFs), and transmembrane channels form. Since then, numerous aspects of our models have been supported by experimental findings. Recently, NMR‐based structures have been proposed for Aβ42 tetramers and octamers, and NMR studies have been reported for oligomers composed of ~32 monomers. Here we propose a range of concentric β‐barrel models and compare their dimensions to image‐averaged electron micrographs of both bAPFs and sAPFs of Aβ42. The smaller oligomers have 6, 8, 12, 16, and 18 monomers. These beads string together to form necklace‐like bAPFs. These bAPRs gradually morph into sAPFs in which a S3 β‐barrel is shielded on one or both sides by β‐barrels formed from S1 and S2 segments.
Crystal structure of a human MUC16 SEA domain reveals insight into the nature of the CA125 tumor marker
Authors: White Brandy , Patterson Michelle , Karnwal Saloni , Brooks Cory L. 
Published: January 2022

AbstractMUC16 is a membrane bound glycoprotein involved in the progression and metastasis of pancreatic and ovarian cancer. The protein is shed into the serum and the resulting cancer antigen 125 (CA125) can be detected by immunoassays. The CA125 epitope is used for monitoring ovarian cancer treatment progression, and has emerged as a potential target for antibody mediated immunotherapy. The extracellular tandem repeat domain of the protein is composed of repeating segments of heavily glycosylated sequence intermixed with homologous SEA (Sperm protein, Enterokinase and Agrin) domains. Here we report the purification and the first X‐ray structure of a human MUC16 SEA domain. The structure was solved by molecular replacement using a Rosetta generated structure as a search model. The SEA domain reacted with three different MUC16 therapeutic antibodies, confirming that the CA125 epitope is localized to the SEA domain. The structure revealed a canonical ferredoxin‐like fold, and contained a conserved disulfide bond. Analysis of the relative solvent accessibility of side chains within the SEA domain clarified the assignment of N‐linked and O‐linked glycosylation sites within the domain. A model of the glycosylated SEA domain revealed two major accessible faces, which likely represent the binding sites of CA125 specific antibodies. The results presented here will serve to accelerate future work to understand the functional role of MUC16 SEA domains and antibody recognition of the CA125 epitope.
Tellurite Glass Rods with Submicron‐Size Diamonds as Photonic Magnetic Field and Temperature Sensors
Authors: Orzechowska Zuzanna , Mrózek Mariusz , Filipkowski Adam , Pysz Dariusz , Stępień Ryszard , Ficek Mateusz , Wojciechowski Adam M. , Klimczak Mariusz , Bogdanowicz Robert , Gawlik Wojciech 
Published: January 2022

AbstractThe results of work on a hybrid material composed of a tellurite glass rod doped with submicron diamonds containing nitrogen‐vacancy‐nitrogen and paramagnetic nitrogen‐vacancy color centers are presented. The reported results include details on tellurite glass and cane fabrication, confocal and wide‐field imaging of the submicron diamond distribution in their volume, as well as on the spectroscopic characterization of their fluorescence and optically detected magnetic resonance measurements of magnetic fields and temperatures. Magnetic fields up to 50 G were examined with a sensitivity of 10−5 T Hz, whereas temperature measurements are simultaneously performed with a sensitivity of 2.2 K Hz−1/2 within the 8 K range at room temperature. In that way, the suitability of such systems for fiber magneto‐ and thermometry with a reasonable performance are already demonstrated in the form of glass rods. At the same time, the rods constitute an interesting starting point for further processing into photonic components such as microstructured fibers or fiber tapers for the realization of specialized sensing modalities.
Simultaneous analysis of derivatized allyl isothiocyanate together with its phase II metabolites by ultra‐high‐performance liquid chromatography/tandem mass spectrometry
Authors: Ngan Hiu‐Lok , Wang Tao , Ru Yi , Chen Yanyan , Li Charlie , Cai Zongwei 
Published: January 2022

RationaleAllyl isothiocyanate (AITC) in food products such as wasabi is commonly analyzed by gas chromatography/mass spectrometry (GC/MS), while liquid chromatography/mass spectrometry (LC/MS) is more suitable for the polar metabolites. The development of an effective method for the simultaneous determination of AITC and its phase II metabolites is needed to support drug metabolism and pharmacokinetics (DMPK) studies.MethodsDerivatization of AITC by reaction with N‐(tert‐butoxycarbonyl)‐L‐cysteine methyl ester (tBocCysME) was used for ultra‐high‐performance liquid chromatography/electrospray ionization mass spectrometry (UHPLC/ESI‐MS) analysis, allowing the simultaneous determination with its phase II metabolites. At room temperature, reaction conditions have been optimized to maximize the reaction of AITC with tBocCysME quantitively. Reaction selectivity was examined by the presence of AITC metabolites. Quantification of AITC was performed by multiple reaction monitoring (MRM) with an external calibration method and applied on the serum of C57BL/6 J mouse for a DMPK study.ResultsThe limit of quantification (LOQ) was determined to be 0.842 nM from the derivatization method and by UHPLC/MS/MS analysis. The method accuracy in the mouse serum samples was 75 ± 2% with a relative standard deviation (RSD) of 3.0% of method variation. The UHPLC/MS/MS analysis gave RSDs of 0.2% and 1.8% for intra‐day and inter‐day variations. With the newly developed method, AITC could be detected in mouse serum upon oral administration for the first time.ConclusionsAn analytical method involving a rapid derivatization pre‐treatment and quantitative UHPLC/ESI‐QqQ‐MS/MS analysis has been developed for a biological sample assay of AITC, enabling selective and sensitive detection of the AITC derivative and AITC metabolites simultaneously. The method developed could be applied to the DMPK study of AITC as well.
Smart Film Actuators for Biomedical Applications
Authors: Zhang Zhuohao , Wang Yu , Wang Qiao , Shang Luoran 
Published: January 2022

AbstractTaking inspiration from the extremely flexible motion abilities in natural organisms, soft actuators have emerged in the past few decades. Particularly, smart film actuators (SFAs) demonstrate unique superiority in easy fabrication, tailorable geometric configurations, and programmable 3D deformations. Thus, they are promising in many biomedical applications, such as soft robotics, tissue engineering, delivery system, and organ‐on‐a‐chip. In this review, the latest achievements of SFAs applied in biomedical fields are summarized. The authors start by introducing the fabrication techniques of SFAs, then shift to the topology design of SFAs, followed by their material selections and distinct actuating mechanisms. After that, their biomedical applications are categorized in practical aspects. The challenges and prospects of this field are finally discussed. The authors believe that this review can boost the development of soft robotics, biomimetics, and human healthcare.
Ionic Liquid‐Assisted Fast Synthesis of Carbon Dots with Strong Fluorescence and Their Tunable Multicolor Emission
Authors: Cao Mengyan , Zhao Xiujian , Gong Xiao 
Published: January 2022

AbstractConventional synthesis of carbon dots (CDs) mostly involves a hydrothermal or solvent‐thermal reaction which needs relatively high temperature and pressure. In this work, ionic liquid is used to assist in fast synthesizing CDs with an ultrahigh photoluminescent quantum yield (98.5%) by heating at a low temperature (≤100 °C) and at atmospheric pressure. In addition, through this approach, tunable multicolor emissive CDs can be successfully achieved and used for preparing high‐performance white light‐emitting diodes. Theoretical computation proves that the activity of synthesis reaction can be significantly enhanced by ionic liquids. Density functional theory calculation reveals that the size and graphite nitrogen ratios of CDs have an effect on bandgap reduction, resulting in a redshift of the emission, which is in good agreement with the experimental results. This simple and promising approach for fast synthesis of tunable emissive CDs using ionic liquid affords the facilitation of CDs‐based luminescent materials for fast manufacturing of functional devices.