bluuebunny/crossref_metadata_2025 huggingface dataset:
Evaluation of Deep Eutectic Solvent Performance for the Extraction of Free 3‐Monochloropropane‐1,2‐diol (3‐MCPD) from Model Oil – COSMO‐RS and Experimental Validation
Authors: A. Fattah Nurasyqin , Hizaddin Hanee F. , Hashim Mohd A. , Basirun Wan Jefrey , M. Salleh Muhammad Zulhaziman
Published: January 2022

Many precautionary elements are associated with food safety, including the elimination or reduction of contaminants below tolerable daily intake. However, efforts have yet to provide a long‐term sustainable solution. Here, the use of conductor‐like screening model for real solvent (COSMO‐RS) is employed to screen 53 potential solvents for the sustainable extraction of 3‐monochloropropane‐1,2‐diol (3‐MCPD) from model edible oil for the first time. The sigma profiles of the five best deep eutectic solvents (DESs) with high selectivity and capacity are found to confirm their interaction with 3‐MCPD at nonpolar and hydrogen bond donor regions. COSMO‐RS is further utilized to validate the extractive viability of two selected DESs. As quantified using 1H NMR, tetrabutylammonium bromide/sulfolane (1:7) exhibits the highest relative percentage removal of 3‐MCPD, followed by zinc chloride/glycerol/H2O (1:2:1) in only a single extraction cycle. The reliability of the extraction and quantification methods is established by acquiring five‐point calibration linearity and relative standard deviation.

Practical applications: Following recent regulatory limits imposed by the European Union, the palm oil industry is instructed to adhere to the new maximum threshold for 3‐MCPD and its esters. This work can potentially elevate the image of the palm oil industry by providing a practical and reliable solution to tackle the food safety issue.
An improved particle swarm optimization for optimal configuration of standalone photovoltaic scheme components
Authors: Liu Hao , Wu Baojia , Maleki Akbar , Pourfayaz Fathollah
Published: January 2022

The hybrid energy system design problem needs efficacy tools to reach optimal results in remote areas. The metaheuristic optimization methods are the best choice to address complex problems. This article presents an improved approach based on an energy management strategy for optimal sizing and configuration of standalone photovoltaic scheme components. Improved particle swarm optimization for optimization and configuration of photovoltaic panel and battery system is applied using MATLAB and hourly solar radiation, ambient temperature data, and load demand. The objective of the optimization problem is to define the optimal sizing of the system components to meet the load demand to compose a cost‐effective and reliable scheme. The optimized system results from the improved approach are compared by original particle swarm optimization and simulated annealing algorithms. So, the optimum design of the hybrid scheme is analyzed and compared based on different reliability values. The results show that the improved approach finds the optimal results easily with lower cost, faster convergence, and better reliability indexes in different reliability indexes in comparison with the other approaches. In this regard, for different reliability values (1%, 3%, and 5%), the improved particle swarm optimization shows approximately 22.9% cost saving in comparison with the simulated annealing, and improved particle swarm optimization shows approximately 0.35% cost saving in comparison with the particle swarm optimization. Also, show the reliability of the standalone hybrid photovoltaic system.
Can gravel augmentation restore thermal functions in gravel‐bed rivers? A need to assess success within a trajectory‐based before–after control–impact framework
Authors: Marteau Baptiste , Michel Kristell , Piégay Hervé
Published: January 2022

Gravel augmentation has become common practice to mitigate the effects of decline in upstream sediment supply in gravel‐bed rivers. However, the functional aspects of river systems are often left out of rehabilitation monitoring programmes. Despite temperature being a fundamental parameter determining the general health of rivers, a limited number of studies have tested whether gravel augmentation can aid restoring thermal functions. Using airborne thermal infrared (TIR) imagery, this paper explores potential positive outcomes through the monitoring of gravel augmentation actions on three rivers in France using hydro‐morphological indicators within a trajectory‐based before–after control–impact (BACI) framework. This design, combining long‐term geomorphic evolution with TIR‐based CI strategy, indicated that restoring forms was not sufficient to restore thermal functions in their spatial dimension. Despite forms showing various degrees of recovery, the thermal regime of rehabilitated reaches (i.e. temperature gradient, cold‐water patches density, etc.) failed to recover. Nonetheless, hydro‐morphological indices can be used to estimate long‐term evolution of groundwater‐surface water interactions. We emphasise the benefits of trajectory‐based BACI assessment to identify current conditions, understand the past evolution (trajectory) of the system to define the framework within which rehabilitation can be objectively assessed, especially when assessing hydrological (here thermal) processes. From a hydrological perspective, the gap between restored forms and restored thermal processes stems from the alteration of connectivity pathways, which potentially require more time (or efforts) to be recovered than forms do. With an increasing number of rehabilitation schemes and increasing pressure of global changes on rivers, we suggest that monitoring of water temperature becomes a routine part of rehabilitation projects.
Geraniol relieves mycoplasma pneumonia infection‐induced lung injury in mice through the regulation of ERK/JNK and NF‐κB signaling pathways
Authors: Fu Yang‐Shan , Duan Xue‐Qiong , Cheng Ke‐Run , Yan‐Yan‐Fei  , Liu Lin , Duan Hong‐Dan , Hu Qin , Xia Shuang‐Li , Wang Xin‐Ru , Cheng Zhong‐Feng
Published: January 2022

Background

Pneumonia is a serious pediatric lung injury disease caused by Mycoplasma pneumoniae (M. pneumoniae) with increasing global prevalence every year. The WHO has reported that nearly 19% of children die due to pneumonia worldwide.

Objective

The present research was conducted to discover the ameliorative properties of geraniol against M. pneumoniae‐provoked pneumonia in mice through the modulation of inflammatory responses.

Methodology

The pneumonia was provoked in the male Swiss albino mice via infecting animals with 100 µl of M. pneumoniae for 2 days and supplemented concurrently with 20 mg/kg of geraniol for 3 days. 100 mg/kg of azithromycin was used as a standard drug. The nitric oxide (NO) level and MPO activity were measured using kits. The SOD activity, GSH, and MDA levels were studied using standard methods. The polymerase chain reaction (PCR) study was performed to examine the M. pneumoniae DNA load. The inflammatory cytokines status was assessed by assay kits. The ERK1/2, JNK1/2, and NF‐κB expressions were studied by reverse‐transcription (RT‐PCR). The lung tissues were analyzed microscopically to investigate the histological alterations.

Results

Geraniol treatment effectively reduced lung weight, NO level, and MPO activity in the pneumonia mice. The total cells and M. pneumoniae DNA load were also decreased by the geraniol. The SOD activity and GSH level were improved and MDA was decreased by the geraniol treatment. The IL‐1, IL‐6, IL‐8, TNF‐α, and TGF status were appreciably depleted by the geraniol in the pneumonia mice. Geraniol also suppressed the ERK1/2 and NF‐κB expressions in the lung tissues. Histological findings also suggest the therapeutic roles of geraniol against pneumonia in mice.

Conclusion

In summary, our results proved the beneficial roles of geraniol against the M. pneumoniae‐provoked pneumonia. Geraniol could be a hopeful therapeutic agent to treat pneumonia in the future.
Correlates of wellness, affective distress, and burnout among school counselors
Authors: Fye Heather J. , Kim Youngmin , Rainey J. Steve
Published: January 2022

This cross‐sectional study used structural equation modeling to examine the directional relationship between school counselors’ (N = 339) wellness and burnout and whether the latent variables were indirectly mediated by affective distress, while controlling for years of experience, student‐to‐school counselor ratios, percentage of time spent in counseling duties, and engagement in supervision monthly. Results found that engagement in supervision monthly was positively related to wellness and negatively related to burnout. Percentage of time spent in counseling duties was negative related to affective distress. Based upon the model fit, we found a statistically significant direct effect of wellness on burnout, while controlling for the indirect effect of affective distress (β = −0.32, p < 0.001). Additionally, wellness was significantly and negatively related to burnout (−0.32) and affective distress (−0.51). Affective distress was significantly and positively related to burnout (0.63). We discuss implications for the school counseling profession.
Managerial learning and the informational role of fair values
Authors: Elbannan Mohamed A.
Published: January 2022

This paper examines whether fair values provide useful information for management decision making. This study uses a sample of 9733 bank‐quarters, covering 2009–2016 to examine the relation. Empirical evidence suggests that fair values, particularly of liability items, affect for stock price informativeness for managers. The effects, however, depend on the account type (asset or liability) and the investment area. Information contained within level 3 items, in general, benefits management learning. Evidence also suggests that accounting discretion and macroeconomic uncertainty largely disrupt management learning from reported fair values and that the fair value effects on management learning persists over the long‐run.
Classification of divisible design graphs with at most 39 vertices
Authors: Panasenko Dmitry , Shalaginov Leonid
Published: January 2022

A ‐regular graph is called a divisible design graph (DDG) if its vertex set can be partitioned into classes of size , such that two distinct vertices from the same class have exactly common neighbours, and two vertices from different classes have exactly common neighbours. A DDG with , , or is called improper, otherwise it is called proper. We present new constructions of DDGs and, using a computer enumeration algorithm, we find all proper connected DDGs with at most 39 vertices, except for three tuples of parameters: , , and .
On a pair of orthogonal large sets of partitioned incomplete Latin squares
Authors: Li Dongliang , Shen Cong , Wang Li , Cao Haitao
Published: January 2022

In this article, we focus on the existence of orthogonal large sets of partitioned incomplete Latin squares (OLSPILS) of type . We prove that there exists an OLSPILS for any prime and any odd integer satisfying , and there exists an OLSPILS for any prime and .
How Plan Analysis can inform the construction of a therapeutic relationship
Authors: Kramer Ueli , Fisher Shimrit , Zilcha‐Mano Sigal
Published: January 2022

The construction of a positive therapeutic relationship was shown to be related with outcome in psychotherapy, but there are only a few prescriptive concepts helping the therapist to contribute to such a process. The present case illustrates the use of Plan Analysis (PA) and the motive‐oriented therapeutic relationship (MOTR) in the explanation of the construction of a positive therapeutic relationship. We analyze the case of Sharon, a 22‐year‐old student presenting with major depressive disorder. We present the case formulation according to PA and select Session 7 from the therapeutic process to illustrate three moments of the therapist focus on the underlying motives: (a) a first moment when the therapist presents with nonoptimal features of responding to the patient's profile, (b) a second moment when the therapist intervenes optimally, and (c) a third moment when the therapist intervenes excellently. We discuss this case from the perspective of personalizing psychotherapy.
Preparation and characterization of glucose‐conjugated super‐paramagnetic iron oxide nanoparticles (G‐SPIONs) for removal of Edwardsiella tarda and Aeromonas hydrophila from water
Authors: Kumar Munish , Gupta Gyandeep , Varghese Tincy , Srivastava Prem Prakash , Gupta Subodh
Published: January 2022

The present research was conducted to prepare efficient G‐SPIONs by co‐precipitation to remove Edwardsiella tarda and Aeromonas hydrophila from the aqueous solution. The synthesized G‐SPIONs were characterized by UV–Vis spectrophotometer, DLS, FEG‐TEM, FT‐IR, XRD, and VSM analysis. The results showed that the synthesized G‐SPIONs had super‐paramagnetic properties (58.31 emu/g) and spherical shape (16 ± 3 nm). The antibacterial activity was assessed in sterilized distilled water at different G‐SPIONs concentrations viz. 0, 1.5, 3, 6, 12, 24, 48, 120, and 240 mg/L against E. tarda and A. hydrophila with various bacterial loads viz. 1 × 103, 1 × 104, 1 × 105, 1 × 106, and 1 × 107 CFU/ml at different time intervals 15, 30, 45, and 60 min. At a lower bacterial load of E. tarda and A. hydrophila 1 × 103–1 × 104 CFU/ml, 100% bacterial load was removed by 15 min exposure with NPs concentration 6–48 mg/L and 1.5–6 mg/L, respectively. Cent percent bacterial removal was observed in both the bacterial species even at higher bacterial load (1 × 105–1 × 107 CFU/ml) by increasing exposure time (15–60 min) and nanoparticle concentration as well (24–240 mg/L). At an initial bacterial load of E. tarda and A. hydrophila (1 × 103–1 × 107 CFU/ml), the EC50 ranged between 0.01–6.51 mg/L and 0.02–3.84 mg/L, respectively, after 15–60 min exposure. Thus, it is concluded that the antibacterial effect of G‐SPIONs depends on concentration and exposure time. Hence, G‐SPIONs can be used as an antibacterial/biocidal agent to treat Edwardsiellosis and Aeromonosis disease in aquaculture.

Highlights

The glucose‐conjugated super‐paramagnetic iron oxide nanoparticles (G‐SPIONs) synthesized by rapid and high yield co‐precipitation method shows bacterial removal efficiency against Edwardsiella tarda and Aeromonas hydrophila

The bacterial removal efficiency of G‐SPIONs depends on concentration and exposure time to both the bacterial species

The 100% bacterial removal efficiency can be achieved even at the highest bacterial load (1 × 107 CFU/ml) against E. tarda and A. hydrophila after 45 and 30 min exposure

Due to the high bacterial removal efficiency of G‐SPIONs against E. tarda and A. hydrophila, it can be used for the treatment of Edwardsiellosis and Aeromonosis in fish
Microscopic retinal blood vessels detection and segmentation using support vector machine and K‐nearest neighbors
Authors: Rehman Amjad , Harouni Majid , Karimi Mohsen , Saba Tanzila , Bahaj Saeed Ali , Awan Mazar Javed
Published: January 2022

The retina is the deepest layer of texture covering the rear of the eye, recorded by fundus images. Vessel detection and segmentation are useful in disease diagnosis. The retina's blood vessels could help diagnose maladies such as glaucoma, diabetic retinopathy, and blood pressure. A mix of supervised and unsupervised strategies exists for the detection and segmentation of blood vessels images. The tree structure of retinal blood vessels, their random area, and different thickness have caused vessel detection difficulties at machine learning calculations. Since the green band of retinal images conveys more information about the vessels, they are utilized for microscopic vessels detection. The current research proposes an administered calculation for segmentation of retinal vessels, where two upgrading stages depending on filtering and comparative histogram were applied after pre‐processing and image quality improvement. At that point, statistical features of vessel tracking, maximum curvature and curvelet coefficient are extracted for each pixel. The extracted features are classified by support vector machine and the k‐nearest neighbors. The morphological operators then enhance the classified image at the final stage to segment with higher accuracy. The dice coefficient is utilized for the evaluation of the proposed method. The proposed approach is concluded to be better than different strategies with a normal of 92%.
Iodine‐mediated expedient synthesis of sulfur–nitrogen‐containing heteroaminals under acidic condition
Authors: More Rameshwar M. , Kadam Archana B. , Humne Vivek T. , Junne Subhash B.
Published: January 2022

An unprecedented protocol for the synthesis of sulfur‐ and nitrogen‐containing heteroaminals from 2‐aminothiazole and pyrazole‐4‐carboxaldehyde using a combined catalytic amount of molecular iodine and acetic acid has been described. This represents the first report for the synthesis of acyclic heteroaminal which presumably proceed via the formation of Schiff base, get activated by using molecular iodine. All synthesized products are elucidated by spectral and mass analysis, obtained in good yield.
Readout‐Segmented Echo‐Planar Diffusion‐Weighted MR Imaging Improves the Differentiation of Breast Cancer Receptor Statuses Compared With Conventional Diffusion‐Weighted Imaging
Authors: Zhong Minghao , Yang Zhiqi , Chen Xiaofeng , Huang Ruibin , Wang Mengzhu , Fan Weixiong , Dai Zhuozhi , Chen Xiangguang
Published: January 2022

Background

Readout‐segmented echo‐planar diffusion‐weighted imaging (RS‐EPI) can improve image quality and signal‐to‐noise ratio, the resulting apparent diffusion coefficient (ADC) value acts as a more sensitive biomarker to characterize tumors. However, data regarding the differentiation of breast cancer (BC) receptor statuses using RS‐EPI are limited.

Purpose

To determine whether RS‐EPI improves the differentiation of receptor statuses compared with conventional single‐shot (SS) EPI in breast MRI.

Study Type

Retrospective.

Population

A total of 151 BC women with the mean age of 50.6 years.

Field strength/Sequence

A 3 T/ RS‐EPI and SS‐EPI.

Assessment

The ADCs of the lesion and normal background tissue from the two sequences were collected by two radiologists with 15 years of experience working of breast MRI (M.H.Z. and X.F.C.), and a normalized ADC was calculated by dividing the mean ADC value of the lesion by the mean ADC value of the normal background tissue.

Statistical Tests

Agreement between the ADC measurements from the two sequences was assessed using the Pearson correlation coefficient and Bland–Altman plots. One‐way analysis of variance, Kruskal–Wallis test, and median difference were used to compare the ADC measurements for all lesions and different receptor statuses. A P value less than 0.05 indicated a significant result.

Results

The ADC measurements of all lesions and normal background tissues were significantly higher on RS‐EPI than on SS‐EPI (1.82 ± 0.33 vs. 1.55 ± 0.30 and 0.83 ± 0.11 vs. 0.79 ± 0.10). The normalized ADC was lower on RS‐EPI than on SS‐EPI (0.47 ± 0.11 vs. 0.53 ± 0.12, a median difference of −0.04 [95% CI: −0.256 to 0.111]). For both diffusion methods, only the ADC measurement of RS‐EPI was higher for human epidermal growth factor receptor‐2 (HER‐2)‐positive tumors than for HER‐2‐negative tumors (0.87 ± 0.10 vs. 0.81 ± 0.11), and this measurement was associated with HER‐2 positive status (adjusted odds ratio [OR] = 654.4); however, similar results were not observed for the ADC measurement of SS‐EPI (0.80 ± 0.10 vs. 0.78 ± 0.11 with P = 0.199 and adjusted OR = 0.21 with P = 0.464, respectively).

Data Conclusion

RS‐EPI can improve the distinction between HER‐2‐positive and HER‐2‐negative breast cancer, complementing the clinical application of diffusion imaging.

Evidence Level

3

Technical Efficacy

Stage 1
Assimilating an expanded tree ring dataset to reconstruct the millennial air temperature fields for the Northern Hemisphere
Authors: Fang Miao , Zheng Jingyun , Wang Jianglin , Zhu Haifeng , Zhang Xuezhen
Published: January 2022

The spatiotemporal variations of the climate of the last millennium provide the context for understanding the recent climate. However, there are few 1000‐year‐long spatiotemporally continuous climate reconstructions at hemispheric to global scales. Here, a millennial, spatiotemporally continuous and annually resolved air temperature dataset for the Northern Hemisphere (NH) was reconstructed using paleoclimate data assimilation (PDA) approach based on an expanded tree ring proxy dataset and artificial neural network‐based proxy system models. Verifications show the PDA‐based reconstruction agrees well with instrumental temperature, previous proxy‐based reconstructions and the Last Millennium Climate Reanalysis version 2 (LMRv2) dataset in space and time domains. Since the PDA‐based reconstruction is spatiotemporally continuous fields without missing value over the whole NH, which is a distinct advantage of the PDA‐based reconstruction over other proxy‐based NH‐averaged temperature reconstructions, we focussed on analysing the spatial variations of the NH temperature during the last millennium, for example, the primary modes of temperature variabilities and the spatial variabilities of the NH temperature in three typical climatic epochs of the millennium. Results show that the first‐leading mode (explained variance of 72.50%) of the NH temperature variability is a spatially consistent mode, while the second‐leading mode (explained variance of 10.60%) exhibits a different pattern that is different from the first‐leading empirical orthogonal function mode, particularly in the Arctic, which shows a dipole structure anomaly. The 20th century was the warmest, with 94.17% of the NH displaying positive anomalies. The 11th century was the second warmest century in the record, with 70.26% of the NH showing a positive anomaly. The 19th century was the coldest, with negative anomalies covering 86.97% of the NH. Northwest North America and the Northern Europe‐Barents Sea are two distinctly anomalous centres during these three centuries. Overall, the reconstructed air temperatures provide a new and reliable dataset for studying the millennial NH temperature variations.
Evaluation of hourly forecasts of the European Centre for Medium‐Range Weather Forecasts over the southeastern extension of the Tibetan Plateau
Authors: Xie Yifan , Yuan Weihua , Hu Xuelin
Published: January 2022

The accuracy of rainfall and low‐level atmospheric circulation forecasts of the European Centre for Medium‐Range Weather Forecasts (ECMWF) Integrated Forecasting System (IFS) is evaluated through comparison with gauge observations during the warm seasons (May–September) from 2019 to 2020 over the southeastern extension of the Tibetan Plateau (SETP). The IFS can suitably capture the spatial distribution of the rainfall frequency over the SETP but generally overestimates the rainfall amount and frequency and underestimates the rainfall intensity. The IFS can hardly simulate the early‐morning and morning peaks in the gauge observations. In two regions along the southern edges of the SETP, exhibiting distinct diurnal features, the difference in the peak time of the rainfall frequency between these two key regions cannot be reproduced in IFS simulations. The simulated rainfall occurs earlier at night, which can be related to the earlier strengthening of southerlies and water vapour flux in the IFS simulations. In the afternoon, the low‐elevation atmosphere is warmer and wetter, in addition to more unstable energy in the IFS simulations, which can contribute to the forecast deviation in the afternoon rainfall frequency.
Thermal behavior and anharmonicity of PO4‐tetrahedral vibrations in natural fluorapatite by polarized Raman spectroscopy
Authors: Pankrushina Elizaveta A. , Shchapova Yuliya V. , Votyakov Sergey L.
Published: January 2022

The study of the Durango fluorapatite single crystal was carried out by in situ ThermoRaman polarization spectroscopy in the temperature range of 80–870 K. The use of polarized radiation made it possible to study the temperature behavior of all vibrational modes in detail, excluding their superposition at elevated temperatures. The analysis of the anharmonicity of fluorapatite vibrations has been carried out; the most strongly interacting anharmonic modes responsible for structural rearrangements in the crystal have been determined. Those include, first of all, the ν1 symmetric stretching vibrations with Ag (964.3 cm−1) and E2g (964.8 cm−1) symmetry. The data obtained for E1g, E2g, and Ag symmetry species indicate that the PO3 chemical bonds in PO4 tetrahedra corresponding to the bands with Ag symmetry are less mobile and subject to less deformations due to greater rigidity along the c‐axis, and the gradual degeneration of the ν3 and ν4 components of the Davydov splitting with increasing temperature indicates an increase in the symmetry of the PO4 tetrahedron when exposed to high temperature. The obtained for fluorapatite are compared with chlorapatite in order to analyze the effect of substitutions in the halogen chain on the anharmonicity of the PO4 tetrahedral vibrations.
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

In 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

BACKGROUND

Rabbit 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.

RESULTS

The 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.

CONCLUSION

The 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

It 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.
Global well‐posedness and uniform boundedness of a higher dimensional crime model with a logistic source term
Authors: Wang Deqi , Feng Yani
Published: January 2022

We study a class of reaction–advection–diffusion system

for χ > 0 in a smooth bounded domain
with n ≥ 2. In comparison with original urban crime models (Short et al., 2008), the system introduces the logistic source term u − u2 + β to represent the fierce competition among criminals, which helps to reduce difficulties brought by the nonlinear growth term uv and large advection rate. We prove that, for n ≥ 2, suppose

then the classical solutions (u, v) of the above system are uniformly bounded for any χ > 0. Our result expands χ to be arbitrary positive number.
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

Fat 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

Purpose

To 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 methods

A 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.

Results

Whole 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.

Conclusion

T1 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

Permafrost 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

Overmolded 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

Four 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

Defect‐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

Amyloid 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

MUC16 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.
Ge−Sb Thin Films Patterned by Heat‐Mode Lithography
Authors: Zhao Peijun , Zheng Jinlun , Zhang Kui , Wang Yang , Wei Jingsong
Published: January 2022

A binary Te‐free phase‐change material Ge9.15Sb90.85(GS) is investigated as the heat‐mode resist. A high etching selectivity ratio can be achieved by matching a suitable developer. A reasonable explanation for the positive development is proposed based on the chemical binding energy analysis. High‐resolution relief patterns are fabricated on the GS films by laser direct writing and wet etching. It reveals that GS is a promising heat‐mode resist for the fabrication of photonic devices.
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

The 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

Rationale

Allyl 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.

Methods

Derivatization 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.

Results

The 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.

Conclusions

An 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.