bluuebunny/crossref_metadata_2025_split huggingface dataset:
Formation mechanism of mirror twin grain boundaries in molecular beam epitaxy grown monolayer WSe2–MoSe2 lateral heterojunctions
Authors: Yu Zhoubin , Dai Yawei , Komsa Hannu-Pekka , Ren Xibiao , Yuan Mengfei , Xie Maohai , Jin Chuanhong 
Published: April 2023

Abstract
Mirror twin grain boundary (MTB) defects, being a special type of high-symmetry one-dimensional (1D) defects in two-dimensional atomically thin transition metal dichalcogenides (TMDCs), have received considerable interest due to their unique structures and intriguing 1D properties. However, formation and distribution of MTBs in hybrid TMDC materials such as heterojunction remain scarcely studied. Herein, we investigate the spatial distribution, lattice registry and formation mechanism of MTBs in molecular beam epitaxy grown monolayer WSe2–MoSe2 lateral heterojunctions using atomic-resolution annular dark-field scanning transmission electron microscopy (ADF-STEM). MTBs manifest a much higher density in MoSe2 than in WSe2 domains with a few of them spanning coherently across the domain interface. Compositionally, a Mo-dominant rather than W-dominant configuration was observed in those MTBs located in WSe2 domains and its origin can be attributed to the preferable Mo substitution to W along the MTBs occurring at the later MoSe2 growth period. This proposed mechanism is supported by ab-initio density functional theory calculations and substitution dynamics captured by in-situ ADF-STEM. The present study deepens our understanding of MTBs in heterostructured TMDCs, which may also serve as an excellent platform for the exploration of intriguing 1D physics.
Artificial neural network potentials for mechanics and fracture dynamics of two-dimensional crystals
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Authors: Jung Gang Seob , Myung Hunjoo , Irle Stephan 
Published: April 2023

Abstract
Understanding the mechanics and failure of materials at the nanoscale is critical for their engineering and applications. The accurate atomistic modeling of brittle failure with crack propagation in covalent crystals requires a quantum mechanics-based description of individual bond-breaking events. Artificial neural network potentials (NNPs) have emerged to overcome the traditional, physics-based modeling tradeoff between accuracy and accessible time and length scales. Previous studies have shown successful applications of NNPs for describing the structure and dynamics of molecular systems and amorphous or liquid phases of materials. However, their application to deformation and failure processes in materials is still uncommon. In this study, we discuss the apparent limitations of NNPs for the description of deformation and fracture under loadings and propose a way to generate and select training data for their employment in simulations of deformation and fracture simulations of crystals. We applied the proposed approach to 2D crystalline graphene, utilizing the density-functional tight-binding method for more efficient and extensive data generation in place of density functional theory. Then, we explored how the data selection affects the accuracy of the developed artificial NNPs. It revealed that NNP’s reliability should not only be measured based on the total energy and atomic force comparisons for reference structures but also utilize comparisons for physical properties, e.g. stress–strain curves and geometric deformation. In sharp contrast to popular reactive bond order potentials, our optimized NNP predicts straight crack propagation in graphene along both armchair and zigzag (ZZ) lattice directions, as well as higher fracture toughness of ZZ edge direction. Our study provides significant insight into crack propagation mechanisms on atomic scales and highlights strategies for NNP developments of broader materials.
Long-term Control of Nasal Tip Position: Quantitative Assessment of Caudal Septal Extension Graft
Authors: Mookerjee Vikram , Shah Jinesh , Carney Martin , Alper David , Steinbacher Derek 
Published: April 2023

Abstract

Goals/Purpose
Control of nasal tip position is critical in final rhinoplasty outcomes. Two frequent methods of exerting tip control are columellar strut and caudal septal extension grafts. Past work has demonstrated that septal extension grafts are better able to preserve tip rotation over time. However, there is no quantitative data describing long term projection and rotation with septal extension grafts, which is essential to the final aesthetic result. The purpose of this study was to analyze long term maintenance of tip projection and rotation following septal extension graft.

Methods/Technique
A retrospective cohort study of adult patients undergoing open rhinoplasty was conducted. Open rhinoplasty with three-dimensional data and use of septal extension graft were collated. Excluded were closed rhinoplasty, cleft rhinoplasty, tip rhinoplasty only, cases where deprojection or derotation was implemented, and cases less with than 2 years of follow up. All patients underwent osteotomies, tip projection, and tip rotation. Three-dimensional photogrammetric evaluation of nasal tip position was performed preoperatively and postoperatively (Vectra; Canfield Scientific, Parsippany, N.J.). Anthropometric points were analyzed preoperatively, 1 week postoperative, 6 weeks postoperative, 2 years postoperative, and at final documented follow up. Outcome variables were tip projection, tip rotation, and nasal length. Nasal projection was measured from the piriform to pronasale, and nasal length was measured from radix to pronasale. Nasolabial angle was defined using three points (tip, subnasale, and Cupid’s bow). Results were compared statistically using dependent t-test.

Results/Complications
A total of 20 patients were included. Average follow up time was 3.3 ± 1.3 years (2.0 to 6.6 years). 15 patients underwent primary rhinoplasty and 5 underwent secondary rhinoplasty. Overall, 75 percent were female, with an average age of 25.5 years at the time of surgery. From 1 week to 6 weeks postoperative, there was a decrease in rotation (-4.3%, p&lt;0.01) as well as an observed but not statistically significant decrease in projection (-1.5%) and nasal length (-0.9%). There was no statistically significant decrease in projection, rotation, or nasal length from 6 weeks postoperative to 2 years postoperatively, or from 6 weeks postoperatively to final follow up (2.0 to 6.6 years).

Conclusion
Nasal tip projection and rotation appear to decrease from the immediate postoperative position, likely due to resolving edema. In this study, patients that underwent open rhinoplasty with septal extension graft experienced modest loss of projection and rotation until 6 weeks postoperative, but maintained projection and rotation from 6 weeks postoperative to 2 years and beyond. This study provides evidence that septal extension graft maintains long term changes in tip projection and rotation.
Patient Satisfaction Using Breast-Q After Breast Reconstruction in Male-to-Female Transgender Patients
Authors: Desjardins Haley , McCranie Alec , Mathes David , Wong Corinne 
Published: April 2023

Abstract

Goals/Purpose
Male-to-female top surgery comprises an increasing portion of breast augmentations performed by plastic surgeons across the nation. Many studies have been performed in cis-females reporting improved overall satisfaction with their breasts, as well as improved psychosocial, sexual, and physical well-being utilizing the validated BREAST-Q questionnaire. Satisfaction in this transgender population has not been well studied using the current standard of care in the United States, non-textured implants. The authors conducted a retrospective study following male-to-female patients who received non-textured implants as part of their breast reconstruction.

Methods/Technique
The authors searched electronic medical records for patients aged 18 years or older who underwent breast augmentation for male-to-female top surgery at Denver Health Medical Center between 2018 and 2021. Survey evaluation using the validated BREAST-Q questionnaire was administered via telephone or in clinic at 6 months and 1 year after breast implant placement. Breast-Q scores for psychosocial, sexual, physical well-being, satisfaction with breasts, and overall post-satisfaction subscales were collected and converted to the equivalent Rasch transformed score. Because this was a retrospective study, median pre-operative subscale scores were utilized from another study that looked at satisfaction in the use of anatomical textured implants in transgender patients by Weigert et al. These pre-operative median scores were compared with patient scores at 6 and 12 months post-operatively.

Results/Complications
30 male-to-female transgender patients were contacted to participate in this study. 24 patients volunteered to participate, and 6 declined. BREAST-Q survey results demonstrate significantly improved satisfaction post-operatively at 6 and 12 months when compared to median pre-operative scores for psychosocial (p &lt;0.001; p &lt;0.001), sexual (p&lt;0.001; p &lt;0.001), physical well-being (p&lt;0.001; p &lt;0.001), and satisfaction with breasts (p&lt;0.001; p &lt;0.001). Results demonstrate that some subscales of post-operative satisfaction increased with more time from surgery. Between 6 and 12 months post-operatively, patients experienced significant improvement in physical (p&lt;0.001), sexual (p&lt;0.007), and psychosocial well-being (p&lt;0.019). No significant change was seen in satisfaction with outcome or satisfaction with breast between 6 and 12 months.

Conclusion
Male-to-female transgender patients exhibit a significant increase in satisfaction following breast augmentation when assessed using the validated BREAST-Q questionnaire. Counseling this patient population pre-operatively, providers can use these results to better advise patients and set reasonable post-operative expectations. Further studies investigating long-term satisfaction in larger cohorts are needed.
Risk of Complications After Breast Surgery in Radiated Patients Using the Closed Incision Negative Pressure Therapy Dressings Compared to Standard-of-Care Dressings
Authors: Alameddine Khaled , Mohamed Omar , Chen Austin , Harless Christin 
Published: April 2023

Abstract

Goals/Purpose
Patients with adjuvant radiotherapy are significantly more likely to have complications such as infections and wound dehiscence following breast surgery.1 Closed incision negative pressure wound therapy (cINPT) holds incision edges together, prevents external contamination and removes exudate, promoting tensile strength and increased collagen recruitment at the incision site compared to the standard of care dressings.2 cINPT is helpful in surgical closures on high-risk patients.3 We evaluated the complication rates following the use of cINPT in implant-based breast reconstruction.

Methods/Technique
A cohort was collected retrospectively from a single institution, from January 1, 2018 to October 31 2022. The complication rates were then compared between cINPT dressing and standard-of-care dressings on radiated patients following breast surgery.

Results/Complications
The data collected consist of a total of 83 radiated breasts that underwent implant based reconstruction. cINPT was used in 41 breasts and standard-of-care dressings were used in 42 breasts.
Of the cINPT cohort, 2 patients developed seromas that required bedside aspirations (4.8%) and one patient developed an infection (2.4%) with none of the patients requiring re operations. Of the standard of care dressings cohort, 9 patients developed seromas (21.4%), and 3 patients developed infections (7.1%), of which 3 patients required reoperations (7.1%).

Conclusion
Patients with prior radiation who received cINPT had lower risk of developing complications compared to patients with prior radiation who received standard-of-care dressings.
Identification and characterization of extracellular GH3 β-glucosidase from the pink snow mold fungus,Microdochium nivale
Authors: Ota Tomoya , Saburi Wataru , Jewell Linda Elizabeth , Hsiang Tom , Imai Ryozo , Mori Haruhide 
Published: April 2023

ABSTRACTGlycoside hydrolase family 3 (GH3) β-glucosidase exists in many filamentous fungi. In phytopathogenic fungi, it is involved in fungal growth and pathogenicity. Microdochium nivale is a severe phytopathogenic fungus of grasses and cereals and is the causal agent of pink snow mold, but its β-glucosidase has not been identified. In this study, a GH3 β-glucosidase of M. nivale (MnBG3A) was identified and characterized. Among various p-nitrophenyl β-glycosides, MnBG3A showed activity on d-glucoside (pNP-Glc) and slight activity on d-xyloside. In the pNP-Glc hydrolysis, substrate inhibition occurred (Kis = 1.6 m m), and d-glucose caused competitive inhibition (Ki = 0.5 m m). MnBG3A acted on β-glucobioses with β1-3, -6, -4, and -2 linkages, in descending order of kcat/Km. In contrast, the regioselectivity for newly formed products was limited to β1-6 linkage. MnBG3A has similar features to those of β-glucosidases from Aspergillus spp., but higher sensitivity to inhibitory effects.
A novel heterophilic graph diffusion convolutional network for identifying cancer driver genes
Authors: Zhang Tong , Zhang Shao-Wu , Xie Ming-Yu , Li Yan 
Published: April 2023

Abstract
Identifying cancer driver genes plays a curial role in the development of precision oncology and cancer therapeutics. Although a plethora of methods have been developed to tackle this problem, the complex cancer mechanisms and intricate interactions between genes still make the identification of cancer driver genes challenging. In this work, we propose a novel machine learning method of heterophilic graph diffusion convolutional networks (called HGDCs) to boost cancer-driver gene identification. Specifically, HGDC first introduces graph diffusion to generate an auxiliary network for capturing the structurally similar nodes in a biomolecular network. Then, HGDC designs an improved message aggregation and propagation scheme to adapt to the heterophilic setting of biomolecular networks, alleviating the problem of driver gene features being smoothed by its neighboring dissimilar genes. Finally, HGDC uses a layer-wise attention classifier to predict the probability of one gene being a cancer driver gene. In the comparison experiments with other existing state-of-the-art methods, our HGDC achieves outstanding performance in identifying cancer driver genes. The experimental results demonstrate that HGDC not only effectively identifies well-known driver genes on different networks but also novel candidate cancer genes. Moreover, HGDC can effectively prioritize cancer driver genes for individual patients. Particularly, HGDC can identify patient-specific additional driver genes, which work together with the well-known driver genes to cooperatively promote tumorigenesis.
Seismic severity estimation using convolutional neural network for earthquake early warning
Authors: Ren Tao , Liu Xinliang , Chen Hongfeng , Dimirovski Georgi M , Meng Fanchun , Wang Pengyu , Zhong Zhida , Ma Yanlu 
Published: April 2023

SUMMARYIn this study, magnitude estimation in earthquake early warning (EEW) systems is seen as a classification problem: the single-channel waveform, starting from the P-wave onset and lasting 4 s, is given in the input, and earthquake severity (medium and large earthquakes: local magnitude (ML) ≥ 5; small earthquakes: ML &lt; 5) is the classification result. The convolutional neural network (CNN) is proposed to estimate the severity of the earthquake, which is composed of several blocks that can extract the latent representation of the input from different receptive fields automatically. We train and test the proposed CNN model using two data sets. One is recorded by the China Earthquake Networks Center (CENC), and the other is the Stanford Earthquake Dataset (STEAD). Accordingly, the proposed CNN model achieves a test accuracy of 97.90 per cent. The proposed CNN model is applied to estimate two real-world earthquake swarms in China (the Changning earthquake and the Tangshan earthquake swarms) and the INSTANCE data set, and demonstrated the promising performance of generalization. In addition, the proposed CNN model has been connected to the CENC for further testing using real-world real-time seismic data.
Process evaluation of workplace health promotion in a sheltered workplace: a care ethics perspective
Authors: van Heijster Hanneke , van Berkel Jantien , Bakker Minne , Boot Cécile , de Vet Emely 
Published: April 2023

SummaryDespite the potential health benefits of workplace health promotion for employees in sheltered workplaces, participation is often limited. The aim of this study was (i) to understand this limited participation, and (ii) to find opportunities for adapting workplace health promotion, such that it better meets the needs of the target population. A responsive process evaluation of an extensive multi-component workplace health promotion program targeting lifestyle behaviors, financial behaviors, literacy and citizenship, was performed in a large, sheltered workplace in the Netherlands (&gt;3500 employees). To understand the limited participation, interviews with employees (n = 8), supervisors (n = 7) and managers (n = 2), and 10 participant observations were performed. To find opportunities for improving workplace health promotion in the sheltered workplace, 7 dialogs with employees were performed (n = 30). The interview data on the barriers for participation were evaluated through the lens of care ethics, as this allowed to understand the role of various stakeholders in the limited participation, as well as the indirect role of the institutional context. Findings showed that participation in workplace health promotion could increase if it is organized in a way that it encourages employees to work on health together, allow to tailor activities to different needs and capabilities of employees, and connects activities to employees’ daily lives. A strength of this study is that the responsive process evaluation focused both on barriers for participation, as well as on opportunities to increase participation.
Association of growth-regulating insecticides and limonoid-based formulations: physicochemical compatibility and toxicity against Spodoptera frugiperda (Lepidoptera: Noctuidae)
Authors: Martins Liliane Nachtigall , Geisler Fernanda Carla dos Santos , Amandio Dylan Thomas Telles , Rakes Matheus , Pasini Rafael Antonio , Ribeiro Leandro do Prado , Bernardi Daniel 
Published: April 2023

Abstract
The objective of this study was to evaluate the physicochemical compatibility of mixtures of synthetic and botanical limonoid-based insecticides, as well as the toxicity of these associations, in the management of Spodoptera frugiperda (J.E. Smith) under laboratory and field conditions. For this, the associations of 4 commercial botanical insecticides based on neem registered in Brazil (Azamax, Agroneem, Azact CE, and Fitoneem) were tested with synthetic insecticides from the group of growth regulators (IGRs [triflumuron, lufenuron, methoxyfenozide and tebufenozide]). When mixed, all combinations caused a significant reduction in the pH of the mixture and a significant increase in electrical conductivity. However, all tested combinations showed similar stability behavior to the negative control (distilled water), which demonstrated their physicochemical compatibility. Furthermore, in laboratory and field bioassays, mixtures of IRGs with limonoid-based formulations provided satisfactory effects in the management of S. frugiperda. However, binary mixtures of insecticide Intrepid 240 SC with Azamax or Azact CE (at LC25 previously estimated) showed the highest toxicities on S. frugiperda larvae in laboratory bioassays and damage reduction caused by S. frugiperda in a 2-yr field experiments. Therefore, mixtures of IGRs with limonoid-based botanical insecticides are promising alternatives for the management of S. frugiperda and important component of integrated pest management and insect resistance management programs.
Mediation analysis unveils a carcinogenic effect of ADH1B rs1229984 through mechanisms other than change in drinking intensity: oesophageal cancer case-control study
Authors: Sugimoto Yukihiro , Koyanagi Yuriko N , Kawakatsu Yukino , Oze Isao , Taniyama Yukari , Kasugai Yumiko , Tanaka Tsutomu , Abe Tetsuya , Tajika Masahiro , Shimizu Yasuhiro , Ito Hidemi , Wakai Kenji , Matsuo Keitaro 
Published: April 2023

Abstract

Background
Ingested alcohol is predominantly oxidized to acetaldehyde by alcohol dehydrogenase 1B (ADH1B), and acetaldehyde is further oxidized to acetate mainly by aldehyde dehydrogenase 2 (ALDH2). Although alcohol consumption is a convincing risk factor for oesophageal cancer, the role of ADH1B rs1229984 (His48Arg), the single-nucleotide polymorphism associated with slow alcohol metabolism, in oesophageal cancer development is unclear. Because this single-nucleotide polymorphism is associated with both increased risk of oesophageal cancer and drinking intensity, its association with oesophageal cancer might operate either through a direct pathway independently of drinking intensity, via an indirect pathway mediated by drinking intensity, or both.

Methods
To disentangle these different pathways, we applied a mediation analysis to an oesophageal cancer case-control study (600 cases and 865 controls) by defining the ADH1B Arg allele and alcohol consumption as exposure and mediator, respectively, and decomposed the total-effect odds ratio of the ADH1B Arg allele into direct- and indirect-effect odds ratio.

Results
The ADH1B Arg allele was associated with oesophageal cancer risk through pathways other than change in drinking intensity (direct-effect odds ratio, 2.03; 95% confidence interval, 1.41–2.92), in addition to the indirect pathway mediated by drinking intensity (indirect-effect odds ratio, 1.27; 95% confidence interval, 1.05–1.53). Further analyses by stratifying genotypes of ALDH2 rs671 (Glu504Lys), the functional single-nucleotide polymorphism that strongly attenuates the enzymatic activity, showed significant direct-effect odds ratio within each stratum.

Conclusions
These results indicate that ADH1B Arg allele contributes to oesophageal cancer risk by slowing alcohol breakdown, in addition to its effect on the amount of alcohol consumed.