bluuebunny/crossref_metadata_2025 huggingface dataset:
Are emotionally competent adults emotionally available parents? Examination of theoretical and empirical relationships in a video‐recorded parent–child interaction clinical preschool‐aged sample
Authors: Müller Jörg Michael , Hoppermann Susanna , Elvert Christina , Janssen Marius
Published: March 2023

Objective

Emotional competence (EC) describes one's general ability to perceive, express, process, and regulate their own emotions as well as those of others. In the clinical context of parent–child interactions, the specific ability to perceive, express and regulate a child's emotions is conceptually covered by the Emotional Availability Scales (EAS). We aim to examine theoretical and empirical overlaps between EC (Rindermann) and emotional availability (EA; Biringen) for theoretical, diagnostic, and therapeutic reasons.

Methods

Parents of a clinically referred sample of preschool‐aged children (55 dyads) filled out a self‐report questionnaire (ECQ), and certified and blinded raters applied the EAS via observations. In a novel approach, the EC was additionally estimated with independent ratings made by two further observers. All dyads were coded on 10‐min video‐recorded parent–child interactions during free play.

Results

In bivariate and multivariate analyses, EC scores from observational ratings were strongly associated with independently rated clinical emotional availability scores. EC scores from self‐reports were moderately associated with emotional availability scores. A post hoc power analysis estimated β error probabilities.

Conclusions

EC may represent an important personal precondition to an emotionally available parent. As such, we discuss implications for early risk factor assessments for child development and highlight new prevention approaches, new diagnostic options, and refined treatment goals. Limitations included the sample size, assessment, and the influence of study design on results.
Distinct in vitro and in vivo neutralization profiles of monoclonal antibodies elicited by the receptor binding domain of the ancestral SARS‐CoV‐2
Authors: Kwon Hyung J. , Zhang Jun , Kosikova Matina , Tang Weichun , Ortega‐Rodriguez Uriel , Peng Hanqin , Meseda Clement A. , Pedro Cyntia L. , Schmeisser Falko , Lu Jianming , Kang Insung , Zhou Bin , Davis Charles T. , Wentworth David E. , Chen Wilbur H. , Shriver Mallory C. , Barnes Robin S. , Pasetti Marcela F. , Weir Jerry P. , Chen Bing , Xie Hang
Published: March 2023

Broadly neutralizing antibodies against severe acute respiratory syndrome coronavirus 2 (SARS‐CoV‐2) variants are sought to curb coronavirus disease 2019 (COVID‐19) infections. Here we produced and characterized a set of mouse monoclonal antibodies (mAbs) specific for the ancestral SARS‐CoV‐2 receptor binding domain (RBD). Two of them, 17A7 and 17B10, were highly potent in microneutralization assay with 50% inhibitory concentration (IC50) ≤135 ng/mL against infectious SARS‐CoV‐2 variants, including G614, Alpha, Beta, Gamma, Delta, Epsilon, Zeta, Kappa, Lambda, B.1.1.298, B.1.222, B.1.5, and R.1. Both mAbs (especially 17A7) also exhibited strong in vivo efficacy in protecting K18‐hACE2 transgenic mice from the lethal infection with G614, Alpha, Beta, Gamma, and Delta viruses. Structural analysis indicated that 17A7 and 17B10 target the tip of the receptor binding motif in the RBD‐up conformation. A third RBD‐reactive mAb (3A6) although escaped by Beta and Gamma, was highly effective in cross‐neutralizing Delta and Omicron BA.1 variants in vitro and in vivo. In competition experiments, antibodies targeting epitopes similar to these 3 mAbs were rarely enriched in human COVID‐19 convalescent sera or postvaccination sera. These results are helpful to inform new antibody/vaccine design and these mAbs can be useful tools for characterizing SARS‐CoV‐2 variants and elicited antibody responses.
A modified Chebyshev–Halley‐type iterative family with memory for solving nonlinear equations and its stability analysis
Authors: Sharma Himani , Kansal Munish
Published: March 2023

In this paper, we propose a new iterative scheme with memory for solving nonlinear equations numerically in order to achieve higher order of convergence in comparison to the cubically convergent Chebyshev–Halley‐type method. Several modifications on Chebyshev–Halley‐type methods without memory have been considered in order to extend it to the scheme with memory. We have used self accelerating parameter in order to attain acceleration of convergence speed which is estimated from the current and previous iterations using divided differences. Therefore, the order of convergence increases from 3 to 3.30 without any further functional evaluation. We study the complex and real dynamics of the proposed family. The parameter spaces and dynamical planes are presented. From the parameter spaces, we can detect different members of the proposed family that have good and bad convergence properties. From the dynamical planes, we can analyze the stability of the proposed family in terms of different values of the parameter involved. This study aids in determining the family members with stable behavior which in turn are suitable for practical problems. Numerical examples and comparisons with some of the existing methods are included to confirm the theoretical results. Furthermore, basins of attraction are included to describe a clear picture of the convergence of the proposed as well as some of the existing methods.
T1 mapping and extracellular volume fraction measurement to evaluate the poor‐prognosis factors in patients with cervical squamous cell carcinoma
Authors: Li Shujian , Liu Jie , Guo Rufei , Nickel Marcel Dominik , Zhang Yong , Cheng Jingliang , Zhu Jinxia
Published: March 2023

Purpose

To evaluate the clinical feasibility of T1 mapping and extracellular volume fraction (ECV) measurement in assessing prognostic factors in patients with cervical squamous cell carcinoma (CSCC).

Materials and methods

A total of 117 CSCC patients and 59 healthy volunteers underwent T1 mapping and diffusion‐weighted imaging (DWI) on a 3 T system. Native T1, contrast‐enhanced T1, ECV, and apparent diffusion coefficient (ADC) were calculated and compared based on surgico‐pathologically verified deep stromal infiltration, parametrial invasion (PMI), lymphovascular space invasion (LVSI), lymph node metastasis, stage, histologic grade, and the Ki‐67 labeling index (LI).

Results

Native T1, contrast‐enhanced T1, ECV, and ADC values were significantly different between CSCC and the normal cervix (all p < 0.05). No significant differences were observed in any parameters of CSCC when the tumors were grouped by stromal infiltration or lymph node status, respectively (all p > 0.05). In subgroups of the tumor stage and PMI, native T1 was significantly higher for advanced‐stage (p = 0.032) and PMI‐positive CSCC (p = 0.001). In subgroups of the grade and Ki‐67 LI, contrast‐enhanced T1 was significantly higher for high‐grade (p = 0.012) and Ki‐67 LI ≥ 50% tumors (p = 0.027). ECV was significantly higher in LVSI‐positive CSCC than in LVSI‐negative CSCC (p < 0.001). ADC values showed a significant difference for the grade (p < 0.001) but none for the other subgroups.

Conclusion

Both T1 mapping and DWI could stratify the CSCC histologic grade. In addition, T1 mapping and ECV measurement might provide more quantitative metrics for noninvasively predicting poor prognostic factors and aiding in preoperative risk assessment in CSCC patients.
Development of a risk assessment tool for Japanese sex offenders: The Japanese Static‐99
Authors: Harada Takayuki , Nomura Kazutaka , Shimada Hironori , Kawakami Norito
Published: March 2023

In Japan, sexual offending, especially paraphilic sexual offending, has become a major problem, and approximately 3000 people are arrested for frotteuristic and voyeuristic behavior each year. Considering the repetitive nature of such behaviors, determining the recidivism risk is imperative. Globally, Static‐99 is one of the most widely used actuarial risk assessment tools to predict recidivism among sex offenders. However, sexual offending is largely influenced by social and cultural backgrounds, and whether risk factors identified in the West are applicable to other countries is unknown. Therefore, we developed a Japanese version of the Static‐99 and examined its reliability and validity with 167 Japanese paraphilic sex offenders. The results showed good internal consistency (Cronbach's alpha coefficient = 0.88) and predictive accuracy (area under the curve = 0.76). The results indicate that the Japanese Static‐99 can be used with Japanese sex offenders. Moreover, risk factors identified in the Western context are applicable to Japanese sex offenders despite the different nature and manifestations of their offending.
The same phase creates a unique visual rhythm unifying moving elements in time
Authors: Li Yao , Ye Biyi , Bao Yan
Published: March 2023

Attention can be selectively tuned to particular features at different spatial locations or objects. The deployment of attention can be guided by properties, such as color, orientation, and so forth, as guiding features. What might be such guiding features for visual stimuli under dynamic rhythmic conditions? We asked specifically what might be the parameters that attract attention when perceiving a visual rhythm. We used a visual search paradigm, in which a dynamic search display consisted of vertically “bouncing balls” with regular rhythms. The search target was defined by a unique visual rhythm (i.e., with either a shorter or longer period) among rhythmic distractors sharing an identical period. We modulated amplitudes and phases of the distractor balls systematically. The results showed a crucial factor of the phase, not the amplitude. If the phase is violated, the target suddenly “pops out” as an “oddball,” showing an efficient parallel search. The findings indicate in general the essential role of the phase in conjunction with amplitude and period for visual rhythm perception. Furthermore, a higher saliency of moving objects with a higher frequency component has also been disclosed.
Enhancing flame retardancy of polyphenylene sulfide nanocomposite fibers by the synergistic effect of catalytic crosslinking and physical barrier
Authors: Yu Yan , Zhu Liping , Dai Lu , Hu Zexu , Li Lili , Xiang Hengxue , Zhou Zhe , Zhu Meifang
Published: March 2023

Protective clothing with fascinating flame‐retardant features is urgently needed to reduce the large amount of smoke and heat released from combustion during fire protection. In this study, polyphenylene sulfide (PPS) nanocomposite resin with efficient flame retardancy is obtained by mixing a low content of graphene and Fe2O3via a twin screw extruder. Followed by, the PPS/G/Fe2O3fibers are fabricated via melting spinning. The PPS/G/Fe2O3nanocomposite resin with 0.3 wt% of graphene and 1.0 wt% of Fe2O3performs the best during the flame retardant tests, giving a shorter self‐extinguishing time, lower peak heat release rate (22.3 kW/m2), total heat release (11.3 MJ/m2) and total smoke production (1.32 m2) than others. The pyrolysis analysis indicates that a large number of products with fused rings are formed in the residual char layer, which effectively inhibit the release of heat and smoke and thus improve the flame retardancy of PPS nanocomposite resin. In addition, the flame retardant textile weaved with PPS/G/Fe2O3fibers gives a high‐limiting oxygen index (40.1%), zero after‐flame time, no droppings and small damaged length (114 mm in warp and 98 mm in weft direction) during the standard flame retardancy tests provided by a third‐party independent inspection organization. The fabrication of PPS fibers with effective and enhanced synergistic flame retardancy through melting spinning is facile and scalable, providing a promising strategy for advanced protective clothing.
Performance of TKX‐50 in thermobaric explosives
Authors: Klapötke Thomas M. , Cudziło Stanisław , Trzciński Waldemar A. , Paszula Józef , Bauer Lukas , Riedelsheimer Christian , Lechner Jasmin T.
Published: March 2023

In this study, the behavior of the high‐nitrogen compound TKX‐50 in model thermobaric formulations was investigated. The addition of 10 % Al to TKX‐50 reduces the heat of detonation by approximately 90 J/g. Despite this, Al reacts with the detonation products of TKX‐50 in an exothermic manner, and the energy contribution was calculated to be approx. 375 J/g. In addition, the overpressure in the explosion chamber filled with argon after detonation of aluminized TKX‐50 charges containing 27 % Al is approx. 20 % higher than in the case of neat TKX‐50. Also the maximum temperature of the TKX‐50/Al explosion products in the argon filled chamber is higher by 370 K than that of measured after detonating TKX only. What is more aluminum oxynitride with a low nitrogen content has been identified in the solid detonation products of aluminized TKX‐50, but only for detonations in argon. Of course, charges made of TKX‐50/Al mixture generate significantly higher overpressure and radiant temperature values in a confined space when they are detonated in an air atmosphere. It all means that burning aluminum in nitrogen provides little energy, and even if the concentration of nitrogen in the post‐detonation products is much higher than that of oxygen, aluminum oxides are preferentially formed.
Unraveling the mechanism of [4Fe‐4S] cluster assembly on the N‐terminal cluster binding site of NUBP1
Authors: Bargagna Beatrice , Matteucci Sara , Ciofi‐Baffoni Simone , Camponeschi Francesca , Banci Lucia
Published: March 2023

[4Fe‐4S]2+ cluster assembly in human cytosol requires both a [2Fe‐2S] cluster chaperone being able to donate two [2Fe‐2S]2+ clusters and an electron donor providing two electrons to reductively couple the two [2Fe‐2S]2+ clusters into a [4Fe‐4S]2+ cluster. The mechanism through which the cytosolic [4Fe‐4S]2+ cluster assembly works is still not defined. Here, we show that a hetero‐tetrameric complex formed by two molecules of cluster‐reduced [2Fe‐2S]+2‐anamorsin and one molecule of dimeric cluster‐oxidized [2Fe‐2S]2+2‐GLRX32 orchestrates the assembly of a [4Fe‐4S]2+ cluster on the N‐terminal cluster binding site of the cytosolic protein NUBP1. We demonstrate that the hetero‐tetrameric complex is able to synergically provide two [2Fe‐2S]2+ clusters from GLRX3 and two electrons from anamorsin for the assembly of the [4Fe‐4S]2+ cluster on the N‐terminal cluster binding site of NUBP1. We also showed that only one of the two [2Fe‐2S] clusters bound to anamorsin, that is, that bound to the CX8CX2CXC motif, provides the electrons required to form the [4Fe‐4S]2+ cluster. Our study contributes to the molecular understanding of the mechanism of [4Fe‐4S] protein biogenesis in the cytosol.
Lessons learned from large‐scale lithium‐ion battery energy storage systems incidents: A mini review
Authors: Lystianingrum Vita , Priyadi Ardyono , Negara I. Made Yulistya
Published: March 2023

The deployment of energy storage systems, especially lithium‐ion batteries, has been growing significantly during the past decades. However, among this wide utilization, there have been some failures and incidents with consequences ranging from the battery or the whole system being out of service, to the damage of the whole facility and surroundings, and even personnel injury and casualties. Some of these events have documentations on the event details and findings. This mini review paper contributes to the existing literature related to lithium‐ion batteries thermal incidents by presenting and discussing the documented findings of these most recent incidents. In some cases, the lithium‐ion battery system has complied to the most recent standards related to battery systems such as UL 9540 and UL 9540A thermal runaway propagation test; yet fire incident and propagation nonetheless occurred. Hence, the lessons learned from these documentations are valuable for the next development of the battery system and technology. Some key lessons from selected cases will be discussed, including specific lithium‐ion battery system risks and their countermeasures, while covering several related standards, and identifying possible gaps in the existing standards.
Successional effects of cover cropping and deep tillage on suppression of plant‐parasitic nematodes and soilborne fungal pathogens
Authors: Marquez Josiah , Hajihassani Abolfazl
Published: March 2023

BACKGROUND

Cover crops can suppress soilborne nematodes and fungal pathogens by serving as a poor host to pathogens and producing allelopathic compounds. Yet, cultural practices can influence their effectiveness. Cover crop and weedy fallow rotations and their interactions with deep tillage were evaluated from 2019 to 2021 in a three‐season vegetable cropping system (spring tomato, fall squash, and winter cabbage) for their suppressive effects on soilborne diseases. Experimental plots were arranged in a split‐plot 2 × 4 factorial design in randomized complete blocks. Whole‐plot tillage treatments were shallow‐tilled or deep‐tilled. Subplots had two factors of crop rotations: rotation type (cover crop [spring or fall sunn hemp or winter rye] or weedy fallow) and rotation season.

RESULTS

Independent of tillage practice, sunn hemp and weedy fallow reduced population density and root galling severity of root‐knot nematode (Meloidogyne incognita) for the first subsequent vegetable compared to the all‐vegetable rotation (P < 0.05) but had little effect on fungal pathogens. Fall sunn hemp had higher plant biomass and reduced gall severity for the second subsequent vegetable. Spring and fall sunn hemp improved vegetable yields. Winter rye only reduced ring nematodes (Mesocriconema spp.) population density in the first subsequent vegetable. Deep tillage reduced incidence of fungal pathogens of Rhizoctonia solani and Sclerotinia sclerotiorum, and population density of stubby‐root nematode (Nanidorus minor).

CONCLUSION

Sunn hemp is effective in suppressing M. incognita, whereas deep tillage can be used to suppress R. solani, S. sclerotiorum, and N. minor in vegetable production systems. © 2023 Society of Chemical Industry.
Metamifop resistance in Echinochloa glabrescens via glutathione S‐transferases‐involved enhanced metabolism
Authors: Li Qi , Zhao Ning , Jiang Minghao , Wang Mali , Zhang Jingxu , Cao Haiqun , Liao Min
Published: March 2023

BACKGROUND

Echinochloa glabrescens Munro ex Hook. f. is one of the main Echinochloa spp. seriously invading Chinese rice fields and has evolved resistance to commonly used herbicides. Previously, an E. glabrescens population (LJ‐02) with suspected resistance to the acetyl‐CoA carboxylase (ACCase)‐inhibiting herbicide metamifop was collected. This study aimed to determine its resistance status to metamifop and investigate the internal molecular mechanisms of resistance.

RESULTS

Single‐dose testing confirmed that the LJ‐02 population had evolved resistance to metamifop. Gene sequencing and a relative expression assay of ACCase ruled out target‐site based resistance to metamifop in LJ‐02. Whole‐plant bioassays revealed that, compared with the susceptible population XZ‐01, LJ‐02 was highly resistant to metamifop and exhibited cross‐resistance to fenoxaprop‐P‐ethyl. Pretreatment with the known glutathione S‐transferase (GST) inhibitor, 4‐chloro‐7‐nitrobenzoxadiazole (NBD‐Cl), largely reversed the resistance to metamifop by approximately 81%. Liquid chromatography–tandem mass spectrometry analysis indicated that the metabolic rates of one of the major metabolites of metamifop, N‐(2‐fluorophenyl)‐2‐hydroxy‐N‐methylpropionamide (HPFMA), were up to 383‐fold faster in LJ‐02 plants than in XZ‐01 plants. There were higher basal and metamifop‐inducible GST activities toward 1‐chloro‐2,4‐dinitrobenzene (CDNB) in LJ‐02 than in XZ‐01. Six GST genes were metamifop‐induced and overexpressed in the resistant LJ‐02 population.

CONCLUSION

This study reports, for the first time, the occurrence of metabolic metamifop resistance in E. glabrescens worldwide. The high‐level metamifop resistance in the LJ‐02 population may mainly involve specific isoforms of GSTs that endow high catalytic activity and strong substrate specificity. © 2023 Society of Chemical Industry.
Sub‐Stochiometric Nickel Oxide Hole‐Selective Contacts in Solar Cells: Comparison of Simulations and Experiments with Sputtered Films
Authors: Nayak Mrutyunjay , Bergum Kristin , Stan George E. , Lee In-Hwan , Kuznetsov Andrej
Published: March 2023

Sub‐stochiometric nickel oxide (NiOx) films were investigated as a hole selective contact option in silicon (Si) heterojunction solar cells. Numerical simulations were carried out to evaluate the impacts of the NiOx electronic properties variations and the NiOx/Si interface defect density (Dit) on device performance. Simulation data suggest that the best performance is achievable for wide bandgaps (Eg) and corresponding high valence band edge (EVB) positions in the NiOx films. Overall, in simulations, the performance remains practically unchanged for the nickel vacancy concentrations [VNi] = 1017–1021 cm−3, assuming high EVB and low Dit. The experimental data measured using NiOx films prepared by radio‐frequency magnetron sputtering reveal that the increase in [VNi] lifts the conductivity, concurrently decreasing Eg and EVB. As a result, we concluded that the performance of the fabricated sputtered NiOx/Si heterojunction solar cell is limited by high Dit as well as narrow Eg and low EVB.
Defect Formation Thermodynamics of (A,A′)(B,B′)O3 (A = Mg,Ca,Sr and B = Ti,Mn,Cr,Fe,Mo) Perovskites
Authors: Grimm Benjamin , Bredow Thomas
Published: March 2023

In a previous theoretical study [B. Grimm and T. Bredow, Oxygen Defect Formation Thermodynamics of CaMnO3: A Closer Look. Phys. Status Solidi B 2022, https://doi.org/10.1002/pssb.202200427], the structural, thermodynamic, and electronic properties of have been studied. The present study increases the range of compounds to ternary perovskites in a search for suitable anode materials for high‐temperature water electrolysis. compounds containing the abundant elements A = Mg,Ca,Sr and B = Ti,Mn,Cr,Fe,Mo are studied theoretically on hybrid density functional theory level. Criteria for a suitable electrode material are low‐oxygen defect formation energy and high reaction energy for decomposition into other phases. Based on these criteria, the most suitable perovskites are chosen as starting points to create stable mixed compounds. The compound δ is found to be the optimal choice as electrode material, with an oxygen defect concentration of at least δ present at 520 K and highly endothermic decomposition reactions.
Tuning the Magnetic Anisotropy of Co–N‐Doped Graphene
Authors: Li Zhongyao , Xue Jianyuan
Published: March 2023

Large magnetic anisotropy energy and out‐of‐plane easy magnetization direction are beneficial for the application of 2D ferromagnetism. Although the robust room‐temperature ferromagnetism is reported in Co–N‐doped graphene [Nat. Commun. 2021, 12, 1854], its magnetic anisotropy and easy axis of magnetization are still unclear. Herein, the magnetic anisotropy of CoN4–graphene and CoN3–graphene is systematically studied. The CoN4–graphene has an in‐plane easy magnetization direction, while the easy magnetization direction of CoN3–graphene is out‐of‐plane. The magnetic anisotropy energy can be tuned by injecting charge or applying strain. Especially, for CoN3–graphene, both charge injection and tensile strain can tune the easy magnetization direction from out‐of‐plane to in‐plane. The tunable magnetic anisotropy may promote the application of Co–N‐doped graphene in spintronic devices.
Multi‐input enhanced model reference adaptive control strategies and their application to space robotic manipulators
Authors: Montanaro Umberto , Martini Simone , Hao Zhou , Gao Yang , Sorniotti Aldo
Published: March 2023

The Enhanced Model Reference Adaptive Control (EMRAC) algorithm, augmenting the MRAC strategy with adaptive integral and adaptive switching control actions, is an effective solution to impose reference dynamics to plants affected by parameter uncertainties, unmodeled dynamics and disturbances. However, the design of the EMRAC solutions has so far been limited to single‐input systems. To cover the gap, this paper presents two extensions of EMRAC to multi‐input systems. The adaptive mechanism of both solutions includes the ‐modification strategy to assure the boundedness of the adaptive gains also in presence of persistent disturbances. The closed‐loop system is analytically studied, and conditions for the asymptotic convergence of the tracking error are presented. Furthermore, when the plant is subjected to unmatched disturbances, the ultimate boundedness of the closed‐loop dynamics, which are made discontinuous by the adaptive switching control actions, is systematically proven by using Lyapunov theory for Filippov systems. The problem of trajectory tracking for space robotic arms in presence of unknown and noncooperative targets is used to test the effectiveness of the novel multi‐input EMRAC algorithms for taming uncertain systems. Four EMRAC solutions are designed for this engineering application, and tested within a high fidelity simulation framework based on the Robot Operating System. Finally, the tracking performance of the EMRAC implementations is quantitatively evaluated via a set of key performance indicators in the joint space and operational space, and compared with that of four benchmarking controllers.
Synthesis of Sustainable Acid Biochar Catalysts Derived from Waste Biomass for Esterification of Glycerol
Authors: Goskula Srinath , Siliveri Suresh , Gujjula Sripal Reddy , Chirra Suman , Narayanan Venkatathri
Published: March 2023

African dream herb shells were subjected to carbonization in N2 atmosphere at various temperatures to synthesis of sustainable biochar. This biochar was characterized by X‐ray diffraction, FE‐SEM, FT‐IR, Laser Raman, Thermo gravimetric analysis, CHNS‐analysis, N2‐adsorption‐desorption and Temperature programmed desorption of ammonia (TPD‐NH3). These biochar carbon catalysts were employed as catalysts for the esterification of glycerol with acetic acid without any modifications. The production of biochar with more strong acidic sites resulted from carbonization at 500 °C. Amorphous carbon that has experienced high‐temperature carbonization is made up of sheets of aromatic carbon that are oriented somewhat randomly. The biochar is produced at 500 °C had the highest rate of glycerol esterification with strong acidic sites of carbon. Based on the properties of the biochar as determined by several characterization techniques, the catalytic activity of the materials was explained. This biochar catalyst exhibited highly stable up to five times.
Recent Advances in Functional Polyurethane Chemistry: From Structural Design to Applications
Authors: Jiang Rijia , Zheng Xiangyu , Zhu Shanshan , Li Wenyao , Zhang Haiwei , Liu Zhihao , Zhou Xing
Published: March 2023

Polyurethane has attracted the great attention of scientists because of its lightweight, high toughness, good wear resistance and corrosion resistance. In the past, polyurethane was mainly used in low‐end products because of its single function. With the development of science and technology, ordinary polyurethane has been unable to meet the diverse needs of people. In recent years, scientists have developed a lot of functional polyurethane: self‐healing polyurethane, antifouling polyurethane, antibacterial polyurethane, shape memory polyurethane and electromagnetic shielding polyurethane. Polyurethane with a single function has been reported by many people, while polyurethane with multiple functions has been rarely reported. This review comprehensively reviews the structural design and applications of functional polyurethane. In addition, the advantages and disadvantages of chemical grafting functional polyurethane are introduced emphatically. Finally, challenges and future research directions of functional polyurethane are also discussed.
Preparation of Magnetic Superhydrophilic Imprinted Nanocomposite Resin and its Application in the Extraction of Chlorophenols in Water
Authors: Yan Li , Wang Yanbo , Li Guijie , Sun Dongshu , Li Hongji , Liu Chunbo , Zhou Tianyu , Che Guangbo , You Chuanxue
Published: March 2023

Fabricating hydrophilic imprinted materials with eminent aqueous recognition capacity is a bottleneck problem in imprinting field. Herein, a magnetic superhydrophilic imprinted nanocomposite resin (MWNTs@MIR) was first fabricated on magnetic multi walled carbon nanotube with 2,4,6‐trichlorophenol as virtual template, 3‐aminophenol as functional monomer and glyoxylic acid as crosslinking monomer. Via employing MWNTs@MIR as adsorbent and combining with magnetic solid‐phase extraction, the effective enrichment of chlorophenols (CPs) in water is realized. The SEM, TEM, FTIR, XRD and other characterizations confirm that the MWNTs@MIR has been successfully prepared and exhibits excellent magnetism (separated by external magnet within 30 s) and superhydrophilicity (water contact angle 0°). Under optimized extraction conditions, MWNTs@MIR can be directly employed for rapid and efficient extraction of four CPs in water (the extraction recoveries reach 78 %–92 %), and exhibits excellent selectivity (the extraction efficiency of MWNTs@MIR for the four CPs is evidently higher than that of the corresponding non‐imprinted material and reference compound) and stability (the recoveries of CPs did not significantly decrease after 5 cycles). The research provided a novel, easy and economical route for constructing hydrophilic imprinted materials to realize efficient extraction of CPs in water, and has potential application in the field of sample pretreatment and analytical chemistry.
Modulation of Dielectric Constant and Photovoltaic Properties of 2,1,3‐benzothiadiazole‐based Alternating Copolymers by Adding Fluorine Atoms to the Backbone of Polymers
Authors: Zhou Yuan , Gan Xuemei , Shi Furong , Guo Pengzhi , Miao Wentao , Liang Junhong , Wang Qian , Liu Yi , Wang Chenglong , Xia Yangjun
Published: March 2023

In organic solar cells (OSCs), fluorine (F) substitution of conjugated polymers has a variety of effects on molecular properties and device performance. In this work, three conjugated polymers, namely PBDT‐4F‐BTs, PBDT‐8F‐FBTs, and PBDT‐10F‐FBTs, with 4, 8 and 10 fluorine atoms in the backbone were prepared and characterized. The conjugated polymers PBDT‐4F‐BTs, PBDT‐8F‐FBTs and PBDT‐10F‐FBTs showed the same highest occupied molecular orbital (HOMO) energy levels of −5.58 eV, which did not decrease with the increasing number of F atoms in each repeat unit of polymers. As the number of fluorine atoms in each repeat unit of polymers in the backbone increases from 4 to 10, the dielectric constant (ϵr) increases from 4.5 to 6.2 at 1 kHz. The bimolecular compounding was suppressed by introducing F into the polymer backbone and influenced the device compounding kinetics of OSCs from the blend films of polymers paired with the phenyl‐C71‐butyric‐acid‐methyl ester (PC71BM). Thereby the fill factor (FF) and power conversion efficiency (PCE) of the OSCs devices have been improved, the fluorine atoms in each repeat unit of polymers backbone increased from 4 to 10, FF increased from 48.7 % to 70.0 %, and the corresponding PCE increased from 3.43 % to 6.46 %.
Conformation Based in silico Studies of Cyclic Tetrapeptides with βγ Fused Turns as Thrombin Inhibitors
Authors: Ghosh Uttam , Kumar Vikash , Singh Gajendra , Kanti Chakraborty Tushar
Published: March 2023

The enormous social and economic consequences of thrombotic diseases, as well as the significant dangers associated with present medications, need the development of more effective and safer anticoagulants. In silico structure‐based design was used to find new peptide‐based thrombin inhibitors and cyclic peptide‐based molecules are attracting wide attention in that regard. Here we have shown the synthesis, conformational and in silico analysis of tetrahydrofuran amino acid (TAA) based 15‐membered cyclic tetrapeptides (CTPs) containing guanidine side chain as thrombin inhibitors. Solution NMR conformational analysis suggests that the βγ fused structures of CTPs are retained in the core and there is no effect of guanidine functionality on the scaffold. Molecular docking results showed that these CTPs can inhibit thrombin protein by interacting with Asp189 residue and the core structure helps to retain the guanidine group inside the active site of protein without any alteration in the backbone H‐bonding. Overall, we have presented here the synthesis, conformational analysis of TAA containing cyclic tetrapeptides along with their docking study against thrombin protein. Further these results will help to design peptide based novel thrombin inhibitors.
Visible Light Induced C2 Alkylation of 2H‐Benzoxazoles with Cycloalkanes and Ethers via Selectfluor‐Mediated Oxidation
Authors: Chen Bo , Huang Zhen , Hu Zhi‐Gang , Liu Xing‐Hai , Weng Jian‐Quan
Published: March 2023

An efficient selectfluor‐oxidative protocol was developed for the direct C2‐alkylation of 2H‐benzoxazoles with cycloalkanes and ethers. Selectfluor can effectively promote the oxidative cross‐coupling without an external catalyst under the visible light irradiation at room temperature. This alkylation reaction tolerates a wide range of functional groups affording 48 examples of the C2‐alkylated 2H‐benzoxazoles in moderate to good yields.
Chiral Hydroxamic Acid Ligands in Asymmetric Synthesis: The Evolution of Metal‐Catalyzed Oxidation Reactions
Authors: Janardan Pawar Tushar , Bonilla‐Landa Israel , Reyes‐Luna Alfonso , Barrera‐Méndez. Felipe , Javier Enríquez‐Medrano Francisco , Enrique Díaz‐de‐León‐Gómez Ramón , Luis Olivares‐Romero José
Published: March 2023

Asymmetric oxidation reaction is one of the significant pathways in stereoselective reactions, which is a prominent performer in academic and industrial research. However, ligands are vital for planning an ideal metal‐catalyzed asymmetric oxidation reaction as they interact with the metal to construct catalytically active metal complexes, which can catalyze numerous asymmetric reactions. Designing and synthesizing novel chiral ligands is essential for researchers in modern asymmetric synthesis. In this course, exploring the applicability and the survey of hydroxamic acid as a vital ligand has been presented, which is essential for various metal‐catalyzed transformations.
Duplex Electrochemical Microfluidic Sensor for COVID‐19 Antibody Detection: Natural versus Vaccine‐Induced Humoral Response
Authors: Mazzaracchio Vincenzo , Rios Maciel Mauricio , Porto Santos Tatiana , Toda‐Peters Kazumi , Shen Amy Q.
Published: March 2023

The rapid transmission and resilience of coronavirus disease 2019 (COVID‐19) have led to urgent demands in monitoring humoral response for effective vaccine development, thus a multiplex co‐detection platform to discriminate infection‐induced from vaccine‐induced antibodies is needed. Here a duplex electrochemical immunosensor for co‐detection of anti‐nucleocapsid IgG (N‐IgG) and anti‐spike IgG (S‐IgG) is developed by using a two‐working electrode system, via an indirect immunoassay, with antibody quantification obtained by differential pulse voltammetry. The screen‐printed electrodes (SPEs) are modified by carbon black and electrodeposited gold nanoflowers for maximized surface areas, enabling the construction of an immunological chain for S‐IgG and N‐IgG electrochemical detection with enhanced performance. Using an optimized immunoassay protocol, a wide linear range between 30–750 and 20–1000 ng mL−1, and a limit of detection of 28 and 15 ng mL−1 are achieved to detect N‐IgG and S‐IgG simultaneously in serum samples. This duplex immunosensor is then integrated in a microfluidic device to obtain significantly reduced detection time (≤ 7 min) while maintaining its analytical performance. The duplex microfluidic immunosensor can be easily expanded into multiplex format to achieve high throughput screening for the sero‐surveillance of COVID‐19  and other infectious diseases.
Theoretical Analysis of All‐Inorganic Wide Bandgap Perovskite/Sn‐Based Narrow Bandgap Perovskite Tandem Solar Cells
Authors: Luo Xiaolong , Hu Ying , Lin Zhenhua , Guo Xing , Zhang Siyu , Shou Chunhui , Hu Zhaosheng , Zhao Xue , Hao Yue , Chang Jingjing
Published: March 2023

Compared with the single‐junction perovskite solar cells, the perovskite/perovskite tandem solar cells have the advantages of lower cost and higher power conversion efficiency (PCE). Herein, both two‐terminal (2‐T) and four‐terminal (4‐T) perovskite/perovskite tandem solar cells with all‐inorganic perovskite as the top cell absorption layer and narrow bandgap perovskite MASn0.5Pb0.5I3 material as the bottom cell absorption layer are studied. To effectively improve the photon absorption ratio and performance of the 4‐T tandem device, both reflection and parasitic absorption should be reduced. Afterward, by optimizing the doping concentration of the carrier transport layer, a 4‐T all‐perovskite tandem solar cell with a high PCE of 30.45% is obtained. For the 2‐T all‐perovskite tandem device, the all‐inorganic perovskites with different halogen components (CsPbI3−xBrx, 0 ≤ x ≤ 3) are used as the absorption layer of the top cell, respectively. Through the optimization of the current matching of the subcell, the photoelectric field distribution, the parasitic absorption of the device, etc., an optimal PCE of 27.86% is obtained based on 2‐T CsPbI2Br/MASn0.5Pb0.5I3 tandem device. This study provides a guide for achieving high performance perovskite/perovskite tandem solar cells.
Physicochemical characteristics and heavy metals of groundwater during the wet and dry seasons at the Lafarge cement factory environment, Sagamu, Ogun State, Nigeria
Authors: Adejuwon Joseph Omoniyi , Odusote Ayobami Akintunde
Published: March 2023

This study examined the physical, chemical, and heavy metals in groundwater from boreholes and hand‐dug wells at the Lafarge cement factory environment at Sagamu, Ogun State, Nigeria. Water samples were obtained from 20 sampling locations during the wet and dry seasons of 2019. The 17 parameters determined include the pH, temperature, electrical conductivity, total dissolved solids (TDS), total hardness, alkalinity, salinity, chloride, sulfate, phosphate, nitrate, calcium, magnesium, copper, lead, iron, and cadmium. The samples were analyzed using titrimetric and spectrophotometric methods. Correlation analysis was applied as part of the analytical tool in this study. The result indicated low physiochemical concentration of pH, total hardness, sulfate, nitrate, chloride, magnesium, calcium (>1% to 15%), and electrical conductivity (>1000 μS/cm) and fell within the Standard Organization of Nigeria (SON) and World Health Organization (WHO) desirable and maximum permissible limits for potable water during the wet and dry seasons. However, phosphate was above the standard limit for portable water of 6.5 mg/L in all sampling locations, whereas the total alkalinity was above the WHO standard limit (200 mg/L) in 12 locations in the wet seasons and a location in the dry season. Salinity was also above standards in one and four locations in the wet and dry seasons, respectively. Lead and cadmium were not detected in most locations, whereas iron, lead, cadmium, and copper were above standard limits in some locations. A significant relationship exists between the heavy metals and some of the physiochemical parameters at p ≥ .05 and p ≥ .01. The polluted water in most locations is capable of resulting in an adverse health hazard. Thus, this study explains the effect of physicochemical and heavy metals on water management at Sagamu and is important for water resource planning.
Gradient flow of Einstein-Maxwell theory and Reissner-Nordström black holes
Authors: De Biasio Davide , Freigang Julian , Lüst Dieter , Wiseman Toby
Published: March 2023

Abstract

Ricci flow is a natural gradient flow of the Einstein-Hilbert action. Here we consider the analog for the Einstein-Maxwell action, which gives Ricci flow with a stress tensor contribution coupled to a Yang-Mills flow for the Maxwell field. We argue that this flow is well-posed for static spacetimes with pure electric or magnetic potentials and show it preserves both non-extremal and extremal black hole horizons. In the latter case we find the flow of the near horizon geometry decouples from that of the exterior. The Schwarzschild black hole is an unstable fixed point of Ricci flow for static spacetimes. Here we consider flows of the Reissner-Nordström (RN) fixed point. The magnetic RN solution becomes a stable fixed point of the flow for sufficient charge. However we find that the electric RN black hole is always unstable. Numerically solving the flow starting with a spherically symmetric perturbation of a non-extremal RN solution, we find similar behaviour in the electric case to the Ricci flows of perturbed Schwarzschild, namely the horizon shrinks to a singularity in finite time or expands forever. In the magnetic case, a perturbed unstable RN solution has a similar expanding behaviour, but a perturbation that decreases the horizon size flows to a stable black hole solution rather than a singularity. For extremal RN we solve the near horizon flow for spherical symmetry exactly, and see in the electric case two unstable directions which flow to singularities in finite flow time. However, even turning these off, and fixing the near horizon geometry to be that of RN, we numerically show that the flows appear to become singular in the vicinity of its horizon.
Optimal Flat Functions in Carleman–Roumieu Ultraholomorphic Classes in Sectors
Authors: Jiménez-Garrido Javier , Miguel-Cantero Ignacio , Sanz Javier , Schindl Gerhard
Published: March 2023

We construct optimal flat functions in Carleman–Roumieu ultraholomorphic classes associated to general strongly nonquasianalytic weight sequences, and defined on sectors of suitably restricted opening. A general procedure is presented in order to obtain linear continuous extension operators, right inverses of the Borel map, for the case of regular weight sequences in the sense of Dyn’kin. Finally, we discuss some examples (including the well-knownq-Gevrey case) where such optimal flat functions can be obtained in a more explicit way.
Macro-scale modeling of finite strain viscoplasticity in irradiated F/M steels: a continuum thermodynamic framework
Authors: Rajakrishnan Roshan R. , Gaganidze Ermile , Terentyev Dimitry , Aktaa Jarir
Published: March 2023

The European reduced activation ferritic/martensitic steel Eurofer97 in irradiated states displays significant nonlinear material behavior involving irradiation hardening, loss of strain hardening, and uniform elongation, as well as irradiation-induced embrittlement. Nonlinear behavior of irradiated steel modeled on the continuum scale will help to estimate the maximum operating range of the irradiated components beyond the onset of localized plastic flow. In this work, a thermodynamic framework for modeling irradiation-influenced deformation is established based on irradiation defect density and a thermodynamically consistent finite strain formulation of an existing viscoplastic model using the Dual Variables concept is presented. The model is implemented in ABAQUS allowing the simulation of tensile tests conducted on irradiated and unirradiated materials which shows the model’s ability to capture the post-yield and post-necking behavior observed in experiments up to ductile failure.
Navigated functional alignment total knee arthroplasty achieves reliable, reproducible and accurate results with high patient satisfaction
Authors: Hazratwala Kaushik , Gouk Conor , Wilkinson Matthew P. R. , O’Callaghan William B.
Published: March 2023

Purpose

The decision on which technique to perform a total knee arthroplasty (TKA) has become more complicated over the last decade. Perceived limitations of mechanical alignment (MA) and kinematic alignment (KA) have led to the development of the functional alignment (FA) philosophy. This study aims to report the 2-year results of an initial patient cohort in terms of revision rate, PROMs and complications for Computer Aided Surgery (CAS) Navigated FA TKA.

Methods

This paper reports a single surgeon’s outcomes of 165 consecutive CAS FA TKAs. The final follow-up was 24 months. Pre-operative and post-operative patient-reported outcome measures, WOMAC and KSS, and intra-operative CAS data, including alignment, kinematic curves, and gaps, are reported. Stress kinematic curves were analysed for correlation with CAS final alignment and CAS final alignment with radiographic long-leg alignment. Pre- and post-operative CPAK and knee phenotypes were recorded. Three different types of prostheses from two manufacturers were used, and outcomes were compared. Soft tissue releases, revision and complication data are also reported.

Results

Mean pre-operative WOMAC was 48.8 and 1.2 at the time of the final follow-up. KSS was 48.8 and 93.7, respectively. Pre- and post-operative range of motion was 118.6° and 120.1°, respectively. Pre-operative and final kinematic curve prediction had an accuracy of 91.8%. CAS data pre-operative stress alignment and final alignment strongly correlate in extension and flexion, r = 0.926 and 0.856, p < 0.001. No statistical outcome difference was detected between the types of prostheses. 14.5% of patients required soft tissue release, with the lateral release (50%) and posterior capsule (29%) being the most common.

Conclusion

CAS FA TKA in this cohort proved to be a predictable, reliable, and reproducible technique with acceptable short-term revision rates and high PROMs. FA can account for extremes in individual patient bony morphology and achieve desired gap and kinematic targets with soft tissue releases required in only 14.5% of patients.

Level of evidence

IV (retrospective case series review).
Effects of trunk neuromuscular electrical stimulation on the motor circuits of able-bodied individuals
Authors: Sasaki Atsushi , Cao Na , Yuasa Akiko , Popovic Milos R. , Nakazawa Kimitaka , Milosevic Matija
Published: March 2023

Upper- and lower-limb neuromuscular electrical stimulation (NMES) is known to modulate the excitability of the neural motor circuits. However, it remains unclear whether short-duration trunk muscle NMES could achieve similar neuromodulation effects. We assessed motor evoked potentials (MEPs) elicited through transcranial magnetic stimulation of the primary motor cortex representation of the trunk extensor muscles to evaluate corticospinal excitability. Moreover, cervicomedullary motor evoked potentials (CMEPs) were assessed through cervicomedullary junction magnetic stimulation to evaluate subcortical excitability. Twelve able-bodied individuals participated in the MEP study, and another twelve in the CMEP study. During the interventions, NMES was applied bilaterally to activate the erector spinae muscle and produce intermittent contractions (20 s ON/20 s OFF) for a total of 20 min while participants remained seated. Assessments were performed: (i) before; (ii) during (in brief periods when NMES was OFF); and (iii) immediately after the interventions to compare MEP or CMEP excitability. Our results showed that MEP responses were not affected by trunk NMES, while CMEP responses were facilitated for approximately 8 min during the intervention, and returned to baseline before the end of the 20 min stimulating period. Our findings therefore suggest that short-duration NMES of the trunk extensor muscles likely does not affect the corticospinal excitability, but it has a potential to facilitate subcortical neural circuits immediately after starting the intervention. These findings indicate that short-duration application of NEMS may be helpful in rehabilitation to enhance neuromodulation of the trunk subcortical neural motor circuits.