bluuebunny/crossref_metadata_2025 huggingface dataset:
TFT‐LCD mura defect visual inspection method in multiple backgrounds
Authors: Chen Mingfang , Chen Ping , Wang Sen , Cui Yu , Zhang Yongxia , Chen Songlin
Published: August 2022

The defect of mura of thin film transistor liquid crystal display (TFT‐LCD) panel is small, and the gray change is unknown. In manual detection, mura is easily overlooked, which is time‐consuming and labor‐intensive. These factors resulted in our inability to properly assess and distinguish multiple mura defects on a single image in field inspections. Aiming at the above problems, this article proposes a multibackground TFT‐LCD mura defect visual inspection method. To obtain the optimal algorithm under high‐precision and high‐speed detection and to overcome the problem of missed detection of the YOLOV4‐tiny algorithm, the spatial pyramid pooling module and squeeze‐and‐excitation module are added on the basis of the original framework. On the one hand, the advantage of the improved algorithm in this article is to focus on the key information, so that the information before feature fusion is more abundant. On the other hand, adding spatial pyramid pooling in BackBone enables the network to perform multiscale pooling and fusion on the input feature layer, which greatly enhances the receptive field of the network and enables the network to extract richer feature information. Experimental results show that the improved YOLOV4‐tiny algorithm has an accuracy of 99.72% in TFT‐LCD mura detection, which is 0.99% higher than YOLOV4‐tiny, and the real‐time detection speed reaches 63.84 frames per second (FPS). At the same time, we overcome the problem of missed detection of YOLOV4‐tiny algorithm and meet the detection accuracy and real‐time requirements of TFT‐LCD mura detection tasks in multibackground environment.
Study on the metabolism profile of flavanomarein in Coreopsis tinctoria Nutt
Authors: Shi Yumeng , Tang Qian , Xing Hong , Zheng Xin , Cao Kunfeng , Yang Jialu , Chen Xiaopeng
Published: August 2022

Coreopsis tinctoria Nutt. (family Asteraceae) is a popular medicine‐food plant, which improves chronic diseases such as hyperlipemia, hypertension, and diabetes. Flavanomarein is the main active component of Coreopsis tinctoria Nutt, in which the blood concentration of volunteers is low and bioavailability is poor. Thus, the understanding of flavanomarein metabolites and metabolic pathways is significant to clarify its effectiveness. This study systematically studied the metabolites of flavanomarein by oral and injection. The biological samples (feces, urine, and plasma) were analyzed by ultra‐high‐performance liquid chromatography coupled with quadrupole time‐of‐flight mass spectrometry in negative ion mode. The metabolic law of flavanomarein in the liver was further verified by a liver microsomal incubation experiment in vitro. A total of 12 metabolites were identified by oral administration while 15 metabolites were detected by injection. It was shown that metabolic pathways include acetylation, hydroxylation, glucuronidation, methylation, dehydrogenation, and so forth. The liver extraction rate of flavanomarein was 0.08, which means the metabolic stability of flavanomarein is well in rats' liver microsomes. It is a systematic study on the metabolism of flavanomarein and provides a metabolic rationale for further in‐depth in vivo biotransformation.
Consultations for Foreign Bodies in Aerodigestive Tract: Assessment of Diagnostic Modalities
Authors: Chen Yu Han , Shomorony Andre , Drusin Madeleine A. , Pearlman Aaron N.
Published: August 2022

Objective

To evaluate test characteristics of various diagnostic modalities in the workup of foreign body (FB) sensation in the aerodigestive tract.

Methods

Database containing all inpatient otolaryngology consultations between 2008 and 2020 was used. Cases of FB sensation were identified by documented encounter diagnosis or hospital problem of FB or globus sensation. Variables including basic patient demographics, clinical presentations, diagnostic imaging modalities, procedures, and outpatient follow‐up were collected.

Results

One hundred and six patients were included in the study. A FB was visualized in 55 patients (52%) and removed in 52 patients (49%); 3 patients had a FB that was visualized initially but not found in the operating room. Sensitivity, specificity, positive predictive value (PPV), and negative predictive value (NPV) were found to be 41%, 50%, 58%, and 33%, respectively, for X‐ray (XR); 91%, 61%, 70%, and 87%, respectively, for computed tomography (CT). Sensitivity and NPV were 25% and 57%, respectively, for flexible fiberoptic laryngoscopy (FFL). Seventy‐one of 106 patients (67%) underwent invasive interventions during their workup for FBs. Ten out of 11 (91%) chicken bones were found in the digestive tract compared to 7 out of 19 (37%) fishbones (p = 0.0046).

Conclusion

In patients with history of FB ingestion, CT may be more beneficial than XR as a screening tool for locating foreign bodies and guiding further management. FFL alone is inadequate for ruling out a FB in the aerodigestive tract given FB's high likelihood of being in the esophagus or buried in soft tissue or mucosa.

Level of Evidence

3 Laryngoscope, 133:1361–1366, 2023
Perioperative Blood Transfusion in Head and Neck Cancer Revisited
Authors: Runge Annette , Vales Anja , Pommer Gabriele , Raab Helmut , Prossliner Harald , Randhawa Avneet , Schennach Harald , Riechelmann Herbert
Published: August 2022

Objective

To reevaluate the frequency of perioperative blood transfusion, transfusion triggers, and survival impact in patients with incident, surgically treated head and neck cancer (HNC) in restrictive transfusion regimens.

Methods

Retrospective analysis of surgically treated patients with incident HNC with and without perioperative blood transfusion between 2008 and 2019 at the Department of Otorhinolaryngology, Head and Neck Surgery, Medical University of Innsbruck, according to the department's clinical Head and Neck Tumor Registry.

Results

Of the 590 patients included, perioperative transfusions were administered in 6.3% (n = 37, transfusion group). Following multivariable logistic regression, likelihood of blood transfusions was increased in patients with poorer general health conditions (ASA score III/IV; OR 3.7; 95% CI 1.9–8.6; p = 0.002), hemoglobin <12.5 g/dL (OR 2.7; 95% CI 1.1–6.4; p = 0.03), longer duration of surgery (OR 1.006 per minute of surgery time; 95% CI 1.003–1.008; p < 0.001), and negative p16 status (OR 5.3; 95% CI = 1.1–25; p = 0.03). Based on 14 matching variables related to survival and perioperative blood transfusion, a control group of 37 matching patients without perioperative transfusion was identified. Using univariate analysis, overall survival in transfusion and control groups did not differ significantly (p = 0.25). After adjusting for four parameters with limited matching accuracy (Chi square p < 0.2) in Cox regression analysis, a transfusion related hazard ratio close to 1 (HR 0.92; 95% CI 0.34–2.51; p = 0.87) was observed.

Conclusion

Considering current restrictive transfusion regimens and general transfusion risks, the administration of blood products in HNC patients during the perioperative period is not associated with additional oncologic hazard.

Level of Evidence

3 Laryngoscope, 133:1638–1644, 2023
Fully On‐Chip Microwave Photonic Instantaneous Frequency Measurement System
Authors: Tao Yuansheng , Yang Fenghe , Tao Zihan , Chang Lin , Shu Haowen , Jin Ming , Zhou Yan , Ge Zhangfeng , Wang Xingjun
Published: August 2022

Microwave photonics (MWP) is an emerging field that studies the interaction between microwave and lightwave for myriad communication and information applications. Recently, new opportunity for MWP has emerged driven by the advances of integrated photonics. However, despite significant progress made in terms of integration level, a fully on‐chip MWP functional system comprising all the necessary photonic and electronic components, is yet to be demonstrated. Here, the status quo is broken and a complete on‐chip solution for MWP system is provided, by exploiting hybrid integration of indium phosphide, silicon photonics, and complementary metal‐oxide–semiconductor electronics platforms. Applying this hybrid integration methodology, a fully chip‐based MWP instantaneous frequency measurement (IFM) system is demonstrated. The unprecedented integration level brings great promotion to the compactness, reliability and performances of the MWP IFM system, including a wide frequency measurement range (2–34 GHz), ultralow estimation errors (10.85 MHz), and a fast response speed (≈0.3 ns). Furthermore, the chip‐scale MWP IFM system is deployed into realistic tasks, where diverse microwave signals with rapid‐varying frequencies at X‐band (8–12 GHz) are accurately identified in real‐time. This demonstration marks a milestone for the integrated MWP, by providing the technology basis for the miniaturization and massive implementations of various MWP systems.
E‐commerce retail and reverse factoring: A newsvendor approach
Authors: Park Daehyeon , Ryu Doojin
Published: August 2022

This study builds a theoretical model to examine how supply chain finance (SCF) services using fintech can ease e‐commerce suppliers' capital constraints. Despite the innovation in the logistics industry during the Fourth Industrial Revolution and the increasing online shopping in the post‐COVID era, small e‐commerce enterprises may fail to grow owing to their budget constraints. Reverse factoring is believed to ease such suppliers' capital constraints. We analyze the effect of reverse factoring using the capital‐constrained newsvendor model, and we consider the impacts of additional funding from SCF services. Our results show that SCF services reduce e‐commerce suppliers' initial orders and, thus, alleviate their budget constraints. This finding suggests that the discount factor of reverse factoring should be higher to ease small suppliers' budget constraints and allow the e‐commerce industry to grow sustainably.
X‐linked mental retardation‐hypotonic facies syndrome: Exome sequencing identifies novel clinical characteristics associated with c.5182G>C mutation in the ATRX gene
Authors: Shakarami Fatemeh , Jahani Mehdi , Nouri Zahra , Tabatabaiefar Mohammad Amin
Published: August 2022

Background

X‐linked mental retardation‐hypotonic facies syndrome‐1 (MRXFH1), caused by a mutation in the ATRX gene, is a rare syndromic form of X‐linked mental retardation (XLMR) that is mainly characterized by severe intellectual disability, dysmorphic facies, and skewed X‐inactivation pattern in carrier women.

Method

In this study, due to the genetic heterogeneity of the disease, we performed exome sequencing (ES) on a 15‐year‐old boy with primary microcephaly and intellectual disability. Also, Sanger sequencing, cosegregation analysis, and structural modeling were done to identify and verify the causative variant in the proband and other affected individuals in the family. In addition, we collected data from previously reported cases to compare with our patients' phenotypes.

Results

ES revealed a previously reported missense variant in the ATRX gene (c.5182G > C, p.Ala1728Pro), segregating with the new clinical characteristic including primary microcephaly in the pedigree. This variant meets the criteria of being likely pathogenic based on the ACMG variant interpretation guideline.

Conclusions

The findings of this study extend the spectrum of phenotypes associated with the identified variant and provide further details on its clinical features.
Abstract representation of the SMGTJ equation under rough boundary controls: Optimal interior regularity
Authors: Lasiecka Irena , Triggiani Roberto , Wan Xiang
Published: August 2022

We consider the linearized third order SMGTJ equation defined on a sufficiently smooth boundary domain in
and subject to either Dirichlet or Neumann rough boundary control. Filling a void in the literature, we present a direct general
system approach based on the vector state solution {position, velocity, acceleration}. It yields, in both cases, an explicit representation formula: input
solution, based on the s.c. group generator of the boundary homogeneous problem and corresponding elliptic Dirichlet or Neumann map. It is close to, but also distinctly and critically different from, the abstract variation of parameter formula that arises in more traditional boundary control problems for PDEs L‐T.6. Through a duality argument based on this explicit formula, we provide a new proof of the optimal regularity theory: boundary control
{position, velocity, acceleration} with low regularity boundary control, square integrable in time and space.
Mathematical modeling for peristalsis of couple stress nanofluid
Authors: Nisar Zahid , Hayat Tasawar , Alsaedi Ahmed , Ahmad Bashir
Published: August 2022

The current article investigates the magnetohydrodynamic (MHD) radiative peristaltic flow of a couple stress nanoliquid in a symmetric channel. Thermally convective and zero mass flux conditions are imposed on flexible channel walls. Impacts of Joule heating and viscous dissipation are considered. Nanofluid model consists of important features Brownian motion and thermophoresis. First‐order chemical reaction is present in mass transportation. The resulting system of differential equations is numerically tackled after adopting large wavelength and low Reynolds number assumptions. Influences of pertinent variables of interest on concentration, temperature, coefficient of heat transfer, streamlines, skin friction coefficient, and Nusselt and Sherwood numbers are examined graphically. The findings of this study reveal that temperature enhances against Brownian motion and thermophoresis parameters, whereas it decays for radiation variable. Concentration of the fluid declines for a couple stress fluid variable. Further, the heat transfer coefficient shows increasing behavior for Eckert number.
MSFR‐Net: Multi‐modality and single‐modality feature recalibration network for brain tumor segmentation
Authors: Li Xiang , Jiang Yuchen , Li Minglei , Zhang Jiusi , Yin Shen , Luo Hao
Published: August 2022

Background

Accurate and automated brain tumor segmentation from multi‐modality MR images plays a significant role in tumor treatment. However, the existing approaches mainly focus on the fusion of multi‐modality while ignoring the correlation between single‐modality and tumor subcomponents. For example, T2‐weighted images show good visualization of edema, and T1‐contrast images have a good contrast between enhancing tumor core and necrosis. In the actual clinical process, professional physicians also label tumors according to these characteristics. We design a method for brain tumors segmentation that utilizes both multi‐modality fusion and single‐modality characteristics.

Methods

A multi‐modality and single‐modality feature recalibration network (MSFR‐Net) is proposed for brain tumor segmentation from MR images. Specifically, multi‐modality information and single‐modality information are assigned to independent pathways. Multi‐modality network explicitly learns the relationship between all modalities and all tumor sub‐components. Single‐modality network learns the relationship between single‐modality and its highly correlated tumor subcomponents. Then, a dual recalibration module (DRM) is designed to connect the parallel single‐modality network and multi‐modality network at multiple stages. The function of the DRM is to unify the two types of features into the same feature space.

Results

Experiments on BraTS 2015 dataset and BraTS 2018 dataset show that the proposed method is competitive and superior to other state‐of‐the‐art methods. The proposed method achieved the segmentation results with Dice coefficients of 0.86 and Hausdorff distance of 4.82 on BraTS 2018 dataset, with dice coefficients of 0.80, positive predictive value of 0.76, and sensitivity of 0.78 on BraTS 2015 dataset.

Conclusions

This work combines the manual labeling process of doctors and introduces the correlation between single‐modality and the tumor subcomponents into the segmentation network. The method improves the segmentation performance of brain tumors and can be applied in the clinical practice. The code of the proposed method is available at: https://github.com/xiangQAQ/MSFR‐Net.
A novel approach for multi‐output structural system reliability problem with small failure probability
Authors: Qian Hua‐Ming , Huang Hong‐Zhong , Li Yan‐Feng , Wei Jing
Published: August 2022

The multi‐output structural system with implicit function widely exists in actual engineering, which refers that the multiple output responses of structural system can be obtained by one experiment or finite element simulation. Considering the correlation of multiple output responses and the small failure probability involved in multi‐output structural system, this article proposes a novel active learning Kriging (ALK) based reliability method for multi‐output structural system by combining multiple response Gaussian process (MRGP) and importance sampling (IS). First, due to the Kriging model can only construct the surrogate model under the single‐output variable, the MRGP model is introduced to substitute the Kriging model and thus the correlation in multiple output responses can be efficiently described by a correlation matrix in MRGP model. Second, for the case that the distance information of new iterated sample point is not considered by the commonly used learning functions (U‐function, EFF‐function and H‐function) in ALK, three improved learning functions are correspondingly proposed. Finally, aiming at the problem that the small failure probability leads to the increasing of candidate sample pool and further results in low computational efficiency, the IS method is combined with the MRGP model to efficiently accomplish the reliability analysis for multi‐output structural system. Several examples are also provided to demonstrate the effectiveness of the proposed method.
Data‐driven modeling for predicting tribo‐performance of graphene‐incorporated glass‐fabric reinforced epoxy composites using machine learning algorithms
Authors: Kumar Santosh , Singh K. Sourabh K. , Singh K. K.
Published: August 2022

The present article aims to investigate a comparative effect of the mechanical properties and tribological operating variables (applied load and sliding distance) on the tribo‐performance of graphene incorporated woven glass fabric reinforced epoxy (GFRE) composites. Computational and data‐driven machine learning (ML) approach has been extensively applied to examine the advancement of the tribological systems. For the study, tribo‐mechanical data, gathered from previous investigations by the present authors, have been used as well. Accordingly, a predictive model, based on the ML algorithms for predicting specific wear rates (SWR), has been developed. Further, a co‐relation between the SWR and the mechanical properties of materials has been determined. For the investigation process, three ML approaches, have been applied, viz., artificial neural network (ANN), Random Forest (RF), and Gradient Boosting Machine (GBM). Feature score analysis has been done as well revealing that variation of the sliding distance, interlaminar shear strength (ILSS) and product of tensile strength (s) and elongation (e) significantly influence the SWR prediction. The trained ML models can predict the tribo‐performance from mechanical properties variables and tribological test conditions, which is impossible with conventional two‐parameter correlations. During the present study, the coefficient of determination (R2 value) in different models was found to be 0.9883, 0.9884, and 0.9762 for the ANN, RF, and GBM, respectively. The best‐performing model was RF.
When a sex chromosome aneuploidy is diagnosed—views from a parent support organisation
Authors: Fisher Jane , McInnes‐Dean Hannah
Published: August 2022

Key points

What's already known about this topic?

Prenatal diagnosis of sex chromosome aneuploidies (SCAs) is increasing.

Counselling parents about SCAs can be a challenge for health care professionals because of the range of outcomes.

What does this study add?

Views from a parent‐support organisation on parents' experiences around diagnosis of an SCA.

Parents value up‐to‐date information and support to make the right decision for their individual circumstances.

Education on SCAs and support for all professionals involved in counselling parents (including private sector providers of NIPT) would help staff deliver high‐quality, individualised care.
A novel melting model for polymer extrusion: Mechanically induced transition layer removal
Authors: Estrada Omar , Janna Farid Chejne
Published: August 2022

A novel polymer melting mechanism and model named mechanically induced transition layer removal is introduced as the most probable hypothesis to explain the enhanced behavior in terms of melting capacity, output, and energy efficiency of single screw Grooved Plasticating Extruders (GPE). This model considers a domain conformed by three phases: solid, molten or plasticized, and transition layers; the latter has never been considered in the state of the art before. To validate this hypothesis as the first approach, we present a simplified thermodynamic polymer melting model in drag and pressure‐induced flow between parallel plates. The model is solved using the Finite Difference Method (FDM). The results obtained show that the proposed model enables a considerable improvement in the plasticizing speed. In addition, this mechanism describes the phenomenology of the plasticization process in the GPE presented in the state of the art. In future works, the mechanically induced transition layer removal, extended to the geometry and operating conditions in GPE, has the potential to accurately describe how this type of technology operates and help the improvement and design of new plasticizing units.
A Modified Set of Constitutive Models for Polymer‐Bonded Explosives that Consider Heterogeneity of Initial Cracks and Failure of Damaged Granules
Authors: Ma Xiao , Ma Qingpeng , Li Tao , Fu Hua , Zheng Xianxu , Cao Zhurong , Li Kewu
Published: August 2022

Non‐shock ignition of explosions in solids by dynamic loading is a key topic in the field of explosives safety research. Cracks and other damage in polymer‐bonded explosives greatly affect non‐shock ignition. In this study, we developed a modified set of constitutive models that incorporate heterogeneity of initial cracks and failure of damaged granules, both of which can affect the thermodynamic response and non‐shock ignition of condensed explosives. Moreover, the models were used to predict the distribution of cracks and damage under dynamic compression. The calculated results were in good agreement with experiment, which confirmed the validity of the models.
Correlation between trunk rotation and lateral flexion range of motion, peak cough flow, and chest expansion in stroke patients
Authors: Park Hee‐yong , Hwang Ui‐jae , Kwon Oh‐yun
Published: August 2022

Introduction

Stroke patients have problems with voluntary movement and trunk control. Moreover, the respiratory function in stroke patients is affected by neurological impairment, which increases the incidence of respiratory complications.

Objectives

To determine the correlation between trunk rotation range of motion (TRROM) and trunk lateral flexion range of motion (TLFROM), peak cough flow (PCF), and chest expansion in stroke patients.

Methods

This was an observational study involving 21 patients with a clinical diagnosis of stroke from October 2021 to January 2022. TRROM and TLFROM were assessed using smartphone applications (Compass and Clinometer), respectively, PCF was assessed using a peak flow meter, and chest expansion was assessed using a tape measure. Pearson's correlation was used to analyze the relationships between the variables.

Results

Statistically significant correlations were found between TRROM and TLFROM (r = 0.91, p < 0.01) and between upper chest expansion and PCF (r = 0.59, p < 0.01). There were significant correlations between lower chest expansion and TRROM (r = 0.50, p < 0.05) and between lower chest expansion and TLFROM (r = 0.51, p < 0.05).

Conclusion

This study demonstrates the relationship between upper chest expansion and PCF. Upper chest expansion exercises should be considered to improve the PCF in stroke patients. In addition, a very strong positive correlation between TRROM and TLFROM was demonstrated. TRROM and TLFROM exercises should be considered to improve the lower chest expansion in stroke patients.
Impact of the PEG length and PEGylation site on the structural, thermodynamic, thermal, and proteolytic stability of mono‐PEGylated alpha‐1 antitrypsin
Authors: Liu Xiao , Kouassi Kobenan G. W. , Vanbever Rita , Dumoulin Mireille
Published: August 2022

Conjugation to polyethylene glycol (PEG) is a widely used approach to improve the therapeutic value of proteins essentially by prolonging their body residence time. PEGylation may however induce changes in the structure and/or the stability of proteins and thus on their function(s). The effects of PEGylation on the thermodynamic stability can either be positive (stabilization), negative (destabilization), or neutral (no effect). Moreover, various factors such as the PEG length and PEGylation site can influence the consequences of PEGylation on the structure and stability of proteins. In this study, the effects of PEGylation on the structure, stability, and polymerization of alpha1‐antitrypsin (AAT) were investigated, using PEGs with different lengths, different structures (linear or 2‐armed) and different linking chemistries (via amine or thiol) at two distinct positions of the sequence. The results show that whatever the size, position, and structure of PEG chains, PEGylation (a) does not induce significant changes in AAT structure (either at the secondary or tertiary level); (b) does not alter the stability of the native protein upon both chemical‐ and heat‐induced denaturation; and (c) does not prevent AAT to fully refold and recover its activity following chemical denaturation. However, the propensity of AAT to aggregate upon heat treatment was significantly decreased by PEGylation, although PEGylation did not prevent the irreversible inactivation of the enzyme. Moreover, conjugation to PEG, especially 2‐armed 40 kDa PEG, greatly improved the proteolytic resistance of AAT. PEGylation of AAT could be a promising strategy to prolong its half‐life after infusion in AAT‐deficient patients and thereby decrease the frequency of infusions.
Crystal structure of SARS‐CoV‐2 nsp10–nsp16 in complex with small molecule inhibitors, SS148 and WZ16
Authors: Klima Martin , Khalili Yazdi Aliakbar , Li Fengling , Chau Irene , Hajian Taraneh , Bolotokova Albina , Kaniskan H. Ümit , Han Yulin , Wang Ke , Li Deyao , Luo Minkui , Jin Jian , Boura Evzen , Vedadi Masoud
Published: August 2022

SARS‐CoV‐2 nsp10–nsp16 complex is a 2′‐O‐methyltransferase (MTase) involved in viral RNA capping, enabling the virus to evade the immune system in humans. It has been considered a valuable target in the discovery of antiviral therapeutics, as the RNA cap formation is crucial for viral propagation. Through cross‐screening of the inhibitors that we previously reported for SARS‐CoV‐2 nsp14 MTase activity against nsp10–nsp16 complex, we identified two compounds (SS148 and WZ16) that also inhibited nsp16 MTase activity. To further enable the chemical optimization of these two compounds towards more potent and selective dual nsp14/nsp16 MTase inhibitors, we determined the crystal structure of nsp10–nsp16 in complex with each of SS148 and WZ16. As expected, the structures revealed the binding of both compounds to S‐adenosyl‐L‐methionine (SAM) binding pocket of nsp16. However, our structural data along with the biochemical mechanism of action determination revealed an RNA‐dependent SAM‐competitive pattern of inhibition for WZ16, clearly suggesting that binding of the RNA first may help the binding of some SAM competitive inhibitors. Both compounds also showed some degree of selectivity against human protein MTases, an indication of great potential for chemical optimization towards more potent and selective inhibitors of coronavirus MTases.
Assessing and enhancing foldability in designed proteins
Authors: Listov Dina , Lipsh‐Sokolik Rosalie , Rosset Stéphane , Yang Che , Correia Bruno E. , Fleishman Sarel Jacob
Published: August 2022

Recent advances in protein‐design methodology have led to a dramatic increase in reliability and scale. With these advances, dozens and even thousands of designed proteins are automatically generated and screened. Nevertheless, the success rate, particularly in design of functional proteins, is low and fundamental goals such as reliable de novo design of efficient enzymes remain beyond reach. Experimental analyses have consistently indicated that a major reason for design failure is inaccuracy and misfolding relative to the design conception. To address this challenge, we describe complementary methods to diagnose and ameliorate suboptimal regions in designed proteins: first, we develop a Rosetta atomistic computational mutation scanning approach to detect energetically suboptimal positions in designs (available on a web server https://pSUFER.weizmann.ac.il); second, we demonstrate that AlphaFold2 ab initio structure prediction flags regions that may misfold in designed enzymes and binders; and third, we focus FuncLib design calculations on suboptimal positions in a previously designed low‐efficiency enzyme, improving its catalytic efficiency by 330‐fold. Furthermore, applied to a de novo designed protein that exhibited limited stability, the same approach markedly improved stability and expressibility. Thus, foldability analysis and enhancement may dramatically increase the success rate in design of functional proteins.
Safety assessment throughHAZOP‐LOPA‐SILanalysis implementation in theDPAdemulsifier production process
Authors: Wang Jing , Hu Dongtao , Peng Chunqing , Zhi Hao , Wu Li
Published: August 2022

In this paper, the HAZOP‐LOPA‐SIL method is implemented on a safety assessment for an O‐benzenedicarboxylic acid diallyl ester (DPA) demulsifier production process. The risk matrix and tolerable risk criterion are determined with hazard and operability (HAZOP) analysis, and the whole processing technique is divided into nine nodes and seven safety instrumented functions (SIFS). By using guide words and subsequence parameters, the deviation of each node is analyzed, and recommendations are then proposed. After determining the safety integrity level (SIL) of each SIF according to the layer of protection analysis (LOPA) method, the result shows that the SIL of the whole system is SIL1. Considering the influence of mechanical element degradation (valves) on SIL determination, gamma distribution has been adopted to analyze the gradation process. In the serviceable cycle, the minimumPFDaverage is larger than 0.21 in order to exceed the range of SIL 1. This means that the SIL of the SIF can effectively prevent the failure caused by valve degradation. According to software analysis, the SIL validation result of the whole safety instrument system(SIS) is SIL1.
Tomato spotted wilt orthotospovirus shifts sex ratio toward males in the western flower thrips, Frankliniella occidentalis, by down‐regulating a FSCB‐like gene
Authors: Tao Min , Wan Yanran , Zheng Xiaobin , Qian Kanghua , Merchant Austin , Xu Baoyun , Zhang Youjun , Zhou Xuguo , Wu Qingjun
Published: August 2022

BACKGROUND

Plant viruses can facilitate their transmission by modulating the sex ratios of their insect vectors. Previously, we found that exposure to tomato spotted wilt orthotospovirus (TSWV) in the western flower thrips, Frankliniella occidentalis, led to a male‐biased sex ratio in the offspring. TSWV, a generalist pathogen with a broad host range, is transmitted primarily by F. occidentalis in a circulative‐propagative manner. Here, we integrated proteomic tools with RNAi to comprehensively investigate the genetic basis underlying the shift in vector sex ratio induced by the virus.

RESULTS

Proteomic analysis exhibited 104 differentially expressed proteins between F. occidentalis adult males with and without TSWV. The expression of the fiber sheath CABYR‐binding‐like (FSCB) protein, namely FoFSCB‐like, a sperm‐specific protein associated with sperm capacitation and motility, was decreased by 46%. The predicted FoFSCB‐like protein includes 10 classic Pro‐X‐X‐Pro motifs and 42 phosphorylation sites, which are key features for sperm capacitation. FoFSCB‐like expression was gradually increased during the development and peaked at the pupal stage. After exposure to TSWV, FoFSCB‐like expression was substantially down‐regulated. Nanoparticle‐mediated RNAi substantially suppressed FoFSCB‐like expression and led to a significant male bias in the offspring.

CONCLUSION

These combined results suggest that down‐regulation of FoFSCB‐like in virus‐exposed thrips leads to a male‐biased sex ratio in the offspring. This study not only advances our understanding of virus‐vector interactions, but also identifies a potential target for the genetic management of F. occidentalis, the primary vector of TSWV, by manipulating male fertility. © 2022 Society of Chemical Industry.
Corrosion Resistance and Corrosion Mechanism of the Superhydrophobic Coating Fabricated on Aluminum Alloy in the Salt Spray Corrosion Environment
Authors: Zhang Xi , Gong Ao , Zheng Yong , Xu Xiangyu , Li Xiaoyu , Li Yufan
Published: August 2022

A superhydrophobic coating is introduced to spread on aluminum alloy via spraying of epoxy resin adhesive, F‐SiO2 nanoparticles, white fluorinated polyurethane coatings, and fluorosilicone varnishes. After a long time, the neutral salt spray accelerated corrosion (NSSAC) test, the surface morphology, and wettability of the superhydrophobic coating are individually characterized, and the corrosion mechanism, and variation law of corrosion resistance of the superhydrophobic coating are studied, respectively. When extending the time of the NSSAC test, the protruding micro–nano structure and cross‐linked network structure of the coating are increasingly dismantled, the contact angle of the coating is decreased gradually, and the corrosion current density (CCD) of the coating increases progressively. The protruding micro–nano structure is less damaged before the 5th d of the NSSAC test, while it almost completely disappears after 30 d of the NSSAC test. The contact angle of the coating is 162.35° before the NSSAC test, which remains greater than 150° when the NSSAC test is carried out for 7 d, but decreases to 119.63° after 70 d. The CCD of the coating increases to 4.62 × 10−7 A cm−2, which is two orders of magnitude lower than that of the non‐corroded 2A12 aluminum alloy, after 70 d of the NSSAC test.
The High Photoresponse of Stress‐Tuned MoTe2 Optoelectronic Devices in the Telecommunication Band
Authors: Ye GuangPing , Xiong Wen , Xie YiQun , Gong LeLe
Published: August 2022

There are attractive prospects to achieve large photocurrent and high optical response in telecommunication wavelengths for optoelectronic devices. Inspired by the recent experiment [Nat. Photonics 2020, 14, 578], the photocurrent of the devices composed of noncentral inversion symmetric monolayer MoTe2 along the armchair direction under different linearly polarized light by the quantum transport calculation is investigated. The results demonstrate that the maximum photocurrent will increase under the biaxial tensile stress, and importantly, the peak of photocurrent will move toward the direction of lower photon energy owing to the reduction of the bandgap of monolayer MoTe2, which is opposite to the case of applying the bias voltage. Ultimately, it is proved that monolayer MoTe2 devices with large photoresponse can be tuned to the interesting telecommunication band via the imposition of biaxial stress and bias voltage, which makes the devices have potential applications in the field of silicon photonics.
Improvement of summer precipitation simulation with indirect assimilation of spring soil moisture over the Tibetan Plateau
Authors: Cui Zhiqiang , Wang Chenghai
Published: August 2022

Soil moisture can be an important preceding signal in seasonal precipitation prediction because of its persistence and influence on the energy and water balance between land and atmosphere. The thawing process of frozen ground on the Tibetan Plateau (TP) during spring makes it difficult to accurately simulate soil variables (e.g., soil moisture and temperature) due to defective parameterizations in numerical models during spring. In this study, we investigate the effectiveness of soil moisture correction using an indirect nudging scheme to simulate the coupling between spring soil moisture and the subsequent precipitation with an advanced research version of the weather research and forecasting (WRF) model. The results without assimilation show that extreme cold and dry land surface states during spring cause a large bias in the spatial pattern of summer precipitation over almost the entire TP. However, the experiments with indirect assimilation in spring show that the spatial pattern of summer precipitation improved significantly. This comparison emphasizes the importance of correcting the spring soil moisture during the freeze–thaw period to significantly adjust the heat and water vapour exchange between the land and atmosphere. Additionally, changes in the circulation of the subtropical–tropical jet, vertical ascent, and region‐related moisture recycling can support an active convection environment over the eastern TP, thereby increasing summer precipitation. Furthermore, the pattern shift in water vapour convergence in summer highlights the regional horizontal transportation of water vapour. The differences between experiments with and without deep‐soil temperature nudging illustrate the significance of soil temperature in soil moisture simulation in the freeze–thaw process. More so, the deep‐soil temperature nudging scheme requires in‐depth studies to correct its variation and quantify its degree of impact on soil moisture.
The use of machine learning, density functional theory, and molecular dynamics simulations for the designing and screening of efficient small molecule donors for organic solar cells
Authors: Katubi Khadijah Mohammedsaleh , Pembere Anthony M. S. , Mehboob Muhammad Yasir , Al‐Buriahi Mohammed S.
Published: August 2022

Indeed, a proper understanding of materials is necessary to get the full benefit from them. For this purpose, multiscale computational modeling is the ultimate need. For machine learning analysis, data is collected from the literature. Machine learning analysis is performed using molecular descriptors as independent parameters and power conversion efficiency (PCE) as dependent property. Various machine learning models are tried. The support vector machine (SVM) model has outperformed others. New donor materials that are small molecules are designed using both well‐known and new building blocks. Their PCE is predicted using a SVM model. The top 10 small molecule donors are further studied using density functional theory calculations. Their electronic behavior is studied. Reorganization energy, exciton binding energy and transfer integral are also calculated. Finally, the best three small molecule donors are selected for molecular dynamics simulations. Molecular packing and mixing of active layer materials is studied using radial distribution function. Our proposed framework has the ability to design potential donor materials in short time with marginal computational cost.
In Situ Reconstructed Zn doped FexNi(1−x)OOH Catalyst for Efficient and Ultrastable Oxygen Evolution Reaction at High Current Densities
Authors: Zhang Xian , Yi Hao , Jin Mengtian , Lian Qing , Huang Yu , Ai Zhong , Huang Runqing , Zuo Ziteng , Tang Chunmei , Amini Abbas , Jia Feifei , Song Shaoxian , Cheng Chun
Published: August 2022

Developing FeOOH as a robust electrocatalyst for high output oxygen evolution reaction (OER) remains challenging due to its low conductivity and dissolvability in alkaline conditions. Herein, it is demonstrated that the robust and high output Zn doped NiOOH‐FeOOH (Zn‐FexNi(1‐x))OOH catalyst can be derived by electro‐oxidation‐induced reconstruction from the pre‐electrocatalyst of Zn modified Ni metal/FeOOH film supported by nickel foam (NF). In situ Raman and ex situ characterizations elucidate that the pre‐electrocatalyst undergoes dynamic reconstruction occurring on both the catalyst surface and underneath metal support during the OER process. That involves the Fe dissolution‐redeposition and the merge of Zn doped FeOOH with in situ generated NiOOH from NF support and NiZn alloy nanoparticles. Benefiting from the Zn doping and the covalence interaction of FeOOH‐NiOOH, the reconstructed electrode shows superior corrosion resistance, and enhanced catalytic activity as well as bonding force at the catalyst‐support interface. Together with the feature of superaerophobic surface, the reconstructed electrode only requires an overpotential of 330 mV at a high‐current‐density of 1000 mA cm−2 and maintains 97% of its initial activity after 1000 h. This work provides an in‐depth understanding of electrocatalyst reconstruction during the OER process, which facilitates the design of high‐performance OER catalysts.
Boosting Nitrogen Reduction Activity by Defect Engineering in 2D Iron Monochalcogenides FeX (X=S, Se)
Authors: Yin Hanqing , Du Aijun
Published: August 2022

Large‐scale ammonia synthesis under ambient environment is a highly demanding technology which is promising to replace the energy‐consuming Haber–Bosch process. Motivated by the crucial iron–sulfur interaction in nitrogenase, the performance of 2D iron monochalcogenides (FeX, X=S, or Se) toward electrochemical nitrogen reduction reaction (e‐N2RR) by means of density functional theory calculations is explored. It is confirmed that pristine 2D FeX is inert for even N2 adsorption while defective 2D FeX with single‐anion‐point vacancy (VX) demonstrates considerable activity for NRR. The enhancement is attributed to the interaction between defect‐induced states and p‐orbitals of nitrogen, which greatly alters the adsorption behavior of N2 molecule. Meanwhile, the relation between the N2 adsorption free energy and theoretical limiting potential (UL) agrees well with the previous report. Moreover, the 2D nature of FeX provides flexible adsorption sites for both N2 and proton, alleviating the competition between e‐N2RR and hydrogen evolution reaction. As the existence of VS and VSe in tetragonal iron monochalcogenides has been validified by experiments, a facile strategy for designing practical and economical NRR electrocatalysts is provided and might be extended to the study of other species of defects in catalysis.
miR‐219a‐5p inhibits the pyroptosis in knee osteoarthritis by inactivating the NLRP3 signaling via targeting FBXO3
Authors: Wang Qiang , Huang Pei‐Yan , Wu Jun‐Guo , Zhang Tie‐Qi , Li Ling‐Feng , Huang Liang‐Da , Yu Yue‐Ming , Wang Ming‐hai , He Jun
Published: August 2022

Purpose

This work was to identify the function and mechanism of miR‐219a‐5p in regulating knee osteoarthritis (KOA).

Methods

Rat fibroblast‐like synoviocytes (FLSs) were isolated to construct KOA cell model by lipopolysaccharide and adenosine triphosphate treatment. miR‐219a‐5p and FBXO3 expression in FLSs was modulated by transfection. Flow cytometry was executed to research FLSs apoptosis. Caspase‐1 and IL‐1β expression in FLSs was researched by immunofluorescence. The binding between miR‐219a‐5p and FBXO3 was identified by dual luciferase reporter gene assay. KOA rat model and miR‐219a‐5p up‐modulation KOA rat model were constructed. Step size of rats was analyzed. Knee joints of rats were experienced Safranin O‐fast green staining to evaluate the knee joint injury. FBXO3, pyroptosis‐associated proteins, and IL‐1β and IL‐18 expression in FLSs and articular cartilage tissues of rats were assessed by Western blot, qRT‐PCR and Enzyme‐linked immunosorbent assay.

Results

KOA cell model had higher apoptosis percentage, expression of pyroptosis‐associated proteins, and IL‐1β and IL‐18 level. miR‐219a‐5p up‐modulation decreased the above indicators, whereas miR‐219a‐5p down‐modulation increased the above indicators. FBXO3 expression was directly repressed by miR‐219a‐5p. Loss of FBXO3 suppressed the above indicators. FBXO3 counteracted the suppression of miR‐219a‐5p on the above indicators. miR‐219a‐5p agomir attenuated knee joint injury, increased step size of KOA rats, and reduced FBXO3, pyroptosis‐associated proteins and level of IL‐1β and IL‐18 in the articular cartilage tissues of KOA rats.

Conclusion

miR‐219a‐5p suppressed the pyroptosis in KOA by inactivating the NLRP3 signaling via targeting FBXO3, which might be a promising target for ameliorating KOA in the clinic.
Prevalence of and risk factors for failure of fetal magnetic resonance imaging due to maternal claustrophobia or malaise
Authors: Dütemeyer V. , Cannie M. M. , Badr D. A. , Kadji C. , Carlin A. , Jani J. C.
Published: August 2022

Objective

To evaluate the prevalence of and risk factors for failure of fetal magnetic resonance imaging (MRI) due to maternal claustrophobia or malaise.

Methods

This retrospective cohort study included pregnant women who underwent fetal MRI for clinical indications or research purposes between January 2012 and December 2019 at a single center. One group included patients who completed the entire examination and the other group inlcuded patients who interrupted their MRI examination due to claustrophobia/malaise. We estimated the rate of MRI failure due to maternal claustrophobia/malaise and compared maternal and clinical variables between the two groups. Multiple logistic regression analysis was performed to identify independent risk factors for claustrophobia/malaise during MRI examination in pregnancy.

Results

Among 3413 patients who agreed to undergo fetal MRI, the prevalence of failure because of claustrophobia or malaise was 2.1%. The rate of claustrophobia/malaise in patients who underwent MRI for a clinical indication was lower compared to that in patients who underwent MRI for research purposes only (0.6% (4/696) vs 2.4% (65/2678); P = 0.003). Fetal MRI performed for research purposes only (adjusted odds ratio (aOR), 0.05 (95% CI, 0.01–0.48); P = 0.003), higher maternal age (aOR, 1.07 (95% CI, 1.02–1.12); P = 0.003) and later gestational age at the time of fetal MRI (aOR, 1.46 (95% CI, 1.16–2.04); P = 0.008) were independent risk factors for claustrophobia/malaise. Shorter fetal MRI duration (aOR, 0.77 (95% CI, 0.63–0.88); P = 0.001) was also associated with claustrophobia/malaise during the procedure. Body mass index, ethnic origin, multiple pregnancy, being parous and size of the magnetic bore were not associated with MRI failure due to claustrophobia/malaise.

Conclusion

The rate of fetal MRI failure due to claustrophobia or malaise was found to be low, particularly when the examination was performed for a clinical indication, and should not be considered a common problem in the pregnant population. © 2022 International Society of Ultrasound in Obstetrics and Gynecology.