bluuebunny/crossref_metadata_2025 huggingface dataset:
Removal of large viruses and their dispersal through fecal pellets of the appendicularianOikopleura dioicaduringEmiliania huxleyibloom conditions
Authors: Mayers Kyle Michael James , Lawrence Janice , Sandnes Skaar Katrine , Töpper Joachim Paul , Petelenz Elzbieta , Rydningen Saltvedt Marius , Sandaa Ruth‐Anne , Larsen Aud , Bratbak Gunnar , Ray Jessica Louise
Published: October 2021

Despite their importance in shaping the structure and function of marine microbial food webs, little is known about factors regulating marine virus abundance. Previous work demonstrated clearance of laboratory‐culturedEmiliania huxleyivirus by the appendicularianOikopleura dioica; however, the applicability of this interaction to natural virus assemblages was not investigated. Here, we conducted controlled laboratory experiments usingO. dioicaand mesocosm water containing natural virus assemblages with high densities of virus, and measured removal of virus byO. dioicausing both flow cytometry and molecular methods. Bayesian models based on flow cytometry quantification of virus particles demonstrated efficient removal of viruses (mean 90.3 mL ind−1d−1), with a clearance efficiency of 42.6% relative to food algae. Molecular detection of virus removal by quantification of viralmcpgene copies revealed a mean clearance rate of 68.1 mL ind−1d−1. Fecal pellets from these experiments demonstrated that viruses in fecal pellets retain infectivity despite passage through theO. dioicagut. Shotgun metavirome analysis demonstratedO. dioicaremoval of large virus groups, notably the Phycodnaviridae. The results demonstrate the removal ofE. huxleyivirus from natural virus assemblages byO. dioicaand the maintenance of viral infectivity when incorporated into fecal pellets, prompting further investigation on the fate of fecal‐packaged viruses and their impact on host dynamics. Furthermore, our results indicate the generality of this interaction for other large algal viruses, raising questions about the implications of this mechanism of marine virus redistribution on the broader marine virus community.
Self‐Healing and Flexible Porous Nickel/Polyurethane Composite Based on Multihealing Systems and Applications
Authors: Zhou Xing , Wang Hao , Li Shaonan , Jiang Li , Liu Mengyue
Published: October 2021

With the development of science and technology, the need for high performance sensors is more and more urgent to deal with different needs and environments. In this study, a flexible strain sensor with performance of self‐healing is developed based on porous nickel as conductive filler and polyurethane (PU) with hydrogen bonding, disulfide bond, and metal coordination bond as polymer matrix. Porous nickel is prepared by a new biotemplates method, and the effects of reaction temperature and concentration of NiCl2·6H2O on the morphology of porous nickel are studied. Polyurethanes containing hydrogen bonding, disulfide bonds, and metal coordination bonds are prepared, and the mechanical properties and self‐healing properties of polyurethanes with different contents of hard and soft segments are studied. A strain sensor is prepared by mixing porous nickel and polyurethane. The effect of filler content on mechanical properties, self‐healing properties, and electrical self‐healing properties is studied. The sensor is attached to the joints of human limbs, and the peak diagram of time‐relative resistance changes is obtained through the cyclic and repeated movements of the limbs. The sensor has excellent sensitivity.
Fabrication of High Thermally Conductive and Electrical Insulating Composites by Boron Nitride‐Nanosheet‐Coated PEEK Fiber
Authors: Sun Youli , Dang Hongbo , Tan HaoYuan , Luan Jiashuang , Jiang Dong , Yang Yanhua
Published: October 2021

The development of polyether ether ketone (PEEK)‐based thermally conductive insulating composites is required in miniaturized electronic devices with a high power density where heat needs to be evacuated. However, the low thermal conductivity (TC) remains a great challenge, significantly restricting the large‐scale applications of PEEK. Here, a novel class of boron nitride nanosheets (BNNSs)/PEEK composites with excellent heat dissipation properties through BNNS‐coated PEEK fiber is developed, through simple hot‐press sintering. A direct comparison of experimental measurements between the BNNSs/PEEK fiber composites and the BNNSs/PEEK powder composites indicates that the TC is greatly improved in the presence of the well‐orientated structure of BNNSs. In addition, the composite with high loading of BNNSs exhibits a combination of high tensile strength and significant electrical insulation (volume electrical resistivity beyond 109 Ω cm). The experimental data demonstrate that it has broad and bright prospects for application in a range of emerging electronic devices, which also provide great potential for enhancing the thermal management application of PEEK‐based composites.
Evaluating effects of primary defatting for flap thinning on the development of perfusion‐related complications in free perforator flap reconstruction
Authors: Mohammed Alfawzan , Lee Kyeong‐Tae , Mun Goo‐Hyun
Published: October 2021

Background

Primary defatting is suggested as an effective and appealing technique for achieving flap thinning. There has been a long‐standing concern regarding its potential adverse effects on flap perfusion, for which limited clinical evidence exists. This study aimed to investigate whether primary defatting negatively influences the outcomes of free perforator flap reconstruction.

Methods

Patients who underwent upper or lower extremity reconstruction using free perforator flaps between 2002 and 2020 were investigated. They were categorized into two groups according to whether they underwent primary defatting. The association of primary defatting with the development of perfusion‐related complications was evaluated.

Results

A total of 421 patients were included in the analysis. Perfusion‐related complications developed in 61 (14.5%) cases, including 12 cases (2.9%) of total flap loss. In total, 302 patients underwent primary defatting and 119 did not. The patients who underwent primary defatting had a higher body mass index (BMI), lower rate of comorbidities, and smaller harvested flaps than the controls. Both groups had similar rates of perfusion‐related complications (13.9% vs. 16.0%, p = .589), including total flap loss (3.0% vs. 2.5%, p = .799). In the multivariate analyses, primary defatting was not associated with the development of perfusion‐related complications (p = .957). In the subgroup analyses, the rate of perfusion‐related complications did not differ between the two groups regardless of the BMI (≥25 or <25 kg/m2), comorbidities, and flap size (≥200, 100–200, or <100 cm2).

Conclusions

Primary defatting does not appear to be associated with the development of perfusion‐related complications in free perforator flap extremity reconstruction.
Stability of HIV/HTLV‐I co‐infection model with delays
Authors: Elaiw A. M. , AlShamrani N. H.
Published: October 2021

In this paper, we formulate a within‐host dynamics model for HIV/HTLV‐I co‐infection under the influence of cytotoxic T lymphocytes (CTLs). The model incorporates silent HIV‐infected CD4+T cells and silent HTLV‐infected CD4+T cells. The model includes two routes of HIV transmission, virus to cell (VTC) and cell to cell (CTC). It also incorporates two modes of HTLV‐I transmission, horizontal transmission via direct CTC contact and vertical transmission through mitotic division of Tax‐expressing HTLV‐infected cells. The model takes into account five types of distributed‐time delays. We analyze the model by proving the nonnegativity and boundedness of the solutions, calculating all possible equilibria, deriving a set of key threshold parameters, and proving the global stability of all equilibria. The global asymptotic stability of all equilibria is established by utilizing Lyapunov function and LaSalle's invariance principle. We present numerical simulations to justify the applicability and effectiveness of the theoretical results. In addition, we discuss the effect of HTLV‐I infection on the HIV dynamics and vice versa.
Calculation of retention indices of essential oils with the aid of the Van den Dool and Kratz equation and Bézier curves
Authors: Battaloglu Rifat
Published: October 2021

The aim of this article is to study the relationships and models among the Van den Dool and Kratz equation, the gas chromatography (GC), and the Bézier curves constructed by aid of the Bernstein polynomials. Another aim of this article is to introduce open problems that contribute to real‐world problems involving mathematics, chemistry, and plant biology, including the Van den Dool and Kratz equation, the GC, and Bézier curves. Searching for the solutions of these problems may have qualities that will create the potential that can enter the field of study of many researchers. As a result of these goals, the usability of Bézier curves was investigated while determining the chemical composition of essential oil obtained from Potentilla aladaghensis Leblebici, by applying the retention index from the Van den Dool and Kratz equation and evaluating chemical compositions of the essential oil are characterized by GC–mass spectrometry (GC–MS). The Van den Dool and Kratz equation results have the potential to be used not only in the chemical compositions of the oils but also in applied mathematics and other fields. Moreover, we construct a new special finite sum. A lower bound and inequality are also given for the finite special sum involving the dead time associated with the isocratic step. Some applications and criticisms are given that include this lower bound and inequality for these sums and its effects on the chemical compositions of essential oil and the Van den Dool and Kratz equation.
Synthetic CT‐aided multiorgan segmentation for CBCT‐guided adaptive pancreatic radiotherapy
Authors: Dai Xianjin , Lei Yang , Wynne Jacob , Janopaul‐Naylor James , Wang Tonghe , Roper Justin , Curran Walter J. , Liu Tian , Patel Pretesh , Yang Xiaofeng
Published: October 2021

Purpose

The delineation of organs at risk (OARs) is fundamental to cone‐beam CT (CBCT)‐based adaptive radiotherapy treatment planning, but is time consuming, labor intensive, and subject to interoperator variability. We investigated a deep learning‐based rapid multiorgan delineation method for use in CBCT‐guided adaptive pancreatic radiotherapy.

Methods

To improve the accuracy of OAR delineation, two innovative solutions have been proposed in this study. First, instead of directly segmenting organs on CBCT images, a pretrained cycle‐consistent generative adversarial network (cycleGAN) was applied to generating synthetic CT images given CBCT images. Second, an advanced deep learning model called mask‐scoring regional convolutional neural network (MS R‐CNN) was applied on those synthetic CT to detect the positions and shapes of multiple organs simultaneously for final segmentation. The OAR contours delineated by the proposed method were validated and compared with expert‐drawn contours for geometric agreement using the Dice similarity coefficient (DSC), 95th percentile Hausdorff distance (HD95), mean surface distance (MSD), and residual mean square distance (RMS).

Results

Across eight abdominal OARs including duodenum, large bowel, small bowel, left and right kidneys, liver, spinal cord, and stomach, the geometric comparisons between automated and expert contours are as follows: 0.92 (0.89–0.97) mean DSC, 2.90 mm (1.63–4.19 mm) mean HD95, 0.89 mm (0.61–1.36 mm) mean MSD, and 1.43 mm (0.90–2.10 mm) mean RMS. Compared to the competing methods, our proposed method had significant improvements (p < 0.05) in all the metrics for all the eight organs. Once the model was trained, the contours of eight OARs can be obtained on the order of seconds.

Conclusions

We demonstrated the feasibility of a synthetic CT‐aided deep learning framework for automated delineation of multiple OARs on CBCT. The proposed method could be implemented in the setting of pancreatic adaptive radiotherapy to rapidly contour OARs with high accuracy.
Improving D‐2‐hydroxyglutarate MR spectroscopic imaging in mutant isocitrate dehydrogenase glioma patients with multiplexed RF‐receive/B0‐shim array coils at 3 T
Authors: Strasser Bernhard , Arango Nicolas S. , Stockmann Jason P. , Gagoski Borjan , Thapa Bijaya , Li Xianqi , Bogner Wolfgang , Moser Philipp , Small Julia , Cahill Daniel P. , Batchelor Tracy T. , Dietrich Jorg , van der Kouwe Andre , White Jacob , Adalsteinsson Elfar , Andronesi Ovidiu C.
Published: October 2021

MR spectroscopic imaging (MRSI) noninvasively maps the metabolism of human brains. In particular, the imaging of D‐2‐hydroxyglutarate (2HG) produced by glioma isocitrate dehydrogenase (IDH) mutations has become a key application in neuro‐oncology. However, the performance of full field‐of‐view MRSI is limited by B0 spatial nonuniformity and lipid artifacts from tissues surrounding the brain. Array coils that multiplex RF‐receive and B0‐shim electrical currents (AC/DC mixing) over the same conductive loops provide many degrees of freedom to improve B0 uniformity and reduce lipid artifacts. AC/DC coils are highly efficient due to compact design, requiring low shim currents (<2 A) that can be switched fast (0.5 ms) with high interscan reproducibility (10% coefficient of variation for repeat measurements). We measured four tumor patients and five volunteers at 3 T and show that using AC/DC coils in addition to the vendor‐provided second‐order spherical harmonics shim provides 19% narrower spectral linewidth, 6% higher SNR, and 23% less lipid content for unrestricted field‐of‐view MRSI, compared with the vendor‐provided shim alone. We demonstrate that improvement in MRSI data quality led to 2HG maps with higher contrast‐to‐noise ratio for tumors that coincide better with the FLAIR‐enhancing lesions in mutant IDH glioma patients. Smaller Cramér–Rao lower bounds for 2HG quantification are obtained in tumors by AC/DC shim, corroborating with simulations that predicted improved accuracy and precision for narrower linewidths. AC/DC coils can be used synergistically with optimized acquisition schemes to improve metabolic imaging for precision oncology of glioma patients. Furthermore, this methodology has broad applicability to other neurological disorders and neuroscience.
Seeking adaptation from uncertainty: Coping strategies of South Korean women with endometriosis
Authors: Yoon Youngsub , Park Min‐Ae , Park Sihyun
Published: October 2021

Women with endometriosis may experience uncertainty owing to the characteristics of the disease, including vague symptom patterns, delayed diagnosis, and long‐term management with no cure. However, women use various coping strategies to adapt to the uncertainty caused by their endometriosis. This descriptive qualitative study explored the coping experiences of women with endometriosis to reduce their uncertainty about the disease and to achieve successful adaptation to their lives with endometriosis. By using convenience and purposive sampling methods, qualitative data were collected from 14 women in South Korea (mean age = 37.7 years, age range = 27–54 years), who were diagnosed with endometriosis through laparoscopy or open surgery. All interview data were thematically analyzed. Four themes were identified as adaptive coping experiences: (1) gaining self‐control over the ambiguous disease; (2) regaining the daily routines destroyed by the disease; (3) being emotionally supported and expressing oneself when feeling unsupported by society; and (4) taking an active role in one's treatment plan by being self‐directed. Patients' sense of self‐control and self‐directedness regarding the disease and the treatment process were important to adapt to life with endometriosis. In addition, regaining stable daily routines as well as being emotionally supported were critical for decreasing their uncertainty. This paper has widespread implications, including the need for training or a continuing education program for health professionals to enhance their competencies when caring for women with endometriosis and the need for social efforts to increase awareness of the disease.
Low‐Cost Water Soluble Silicon Quantum Dots and Biocompatible Fluorescent Composite Films
Authors: Du Guitao , Li Guoqian , Qiu Shibo , Liu Linghong , Zheng Yuewei , Liu Xinghai
Published: October 2021

Silicon quantum dots (Si‐QDs) with the advantages of excellent biocompatibility, rich sources of raw materials, and low synthesis cost, are attracting enormous attention as ideal candidates for replacing existing semiconductor quantum dot products. The water‐soluble fluorescent Si‐QDs and the Si‐QDs/Chitosan composite material are successfully prepared here by combined microwave‐assisted and traditional one‐step hydrothermal synthesis using sodium citrate and 3‐(2‐aminoethylamino) propyl‐dimethoxymethylsilane (CG602) as a novel precursor. Experimental results show that the photoluminescence quantum yield of the prepared Si‐QDs is higher than 85%, and the particle size is uniform with low crystallinity. Chitosan is used as a film‐forming substance, while an appropriate amount of nontoxic glycerin is added as a plasticizer, and a certain amount of Si‐QDs are added to prepare a composite fluorescent film. The film is a composite material with excellent properties such as visible light transmittance greater than 80%, elongation at break greater than 25%, and excellent tensile strength.
Economic Lyapunov‐based model predictive control with event‐triggered parametric identification
Authors: Zheng Yi , Li Shaoyuan , Wan Ruoxiao , Wang Yanye
Published: October 2021

This article focuses on the design of model predictive control (MPC) for nonlinear systems with slow time‐dynamic change. To avoid frequent updates of the predictive model and guarantee the state always stays inside of a given feasible region, an event‐triggered parametric estimation mechanism is designed. Firstly, a trigger condition is designed to judge if parameters of the predictive model are out of date and differ a lot from their current true values so that there is no feasible solution to regulate the state within the given bound without predictive model parameter update. This condition also depends on the current state and is deduced from a designed Lyapunov constraint, inputs constraints, and the mismatched predictive model. Then the EMPC is designed based on this condition. If the trigger condition is met, the MPC recursively updates the parameters and imposes the Lyapunov constraint. The Lyapunov constraint is based on the mismatched model and the real state does not need to be convergence. Else, the MPC only optimizes the cost function to derive a good profit. We proved that the proposed EMPC promises that the closed‐loop system state is maintained within a predefined stable region when the model mismatch bound can be estimated accurately. A simulation of a chemical process demonstrates the effectiveness of the proposed method.
Characterizing the Onset Potential Distribution of Pt/C Catalyst Deposition by a Total Internal Reflection Imaging Method
Authors: Li Fuying , Ma Kaijie , Liu Le , Xi Jingyu , Qiu Xinping
Published: October 2021

A catalytic electrode with extraordinary performances for hydrogen evolution reaction (HER) should achieve a low onset potential of the bulk electrode, as well as its uniform distribution. Herein, a total internal reflection imaging (TIRi) method to characterize the onset potential distribution of the catalytic electrode surface is presented. When the potential scans toward negative in a linear sweep voltammetry, the equivalent refractive index of the electrolyte on the electrode surface will decrease due to H2 microbubbles generation, leading to the increase in optical intensity. Analysis of the relationship between the optical intensity and potential in each region results in the onset potential distribution. The TIRi method reveals poor uniformity and repeatability in the catalytic electrodes which are fabricated by depositing Pt/C catalysts on a porous carbon support with polymer binders (e.g., Nafion). Further electrochemical stability test also shows poor durability, whose HER onset potential deteriorates from the edge to the middle of these catalytic electrodes. The present TIRi method realizes direct visualization of the activity distribution on the bulk electrode surface, which provides a powerful tool for better fabrication and evaluation of large‐area HER electrodes in industrial energy devices.
Amphiphilic and Biocompatible DNA Origami‐Based Emulsion Formation and Nanopore Release for Anti‐Melanogenesis Therapy
Authors: Huang Hao , Belwal Tarun , Li Li , Xu Yanqun , Zou Ligen , Lin Xingyu , Luo Zisheng
Published: October 2021

Programmable engineered DNA origami provides infinite possibilities for customizing nanostructures with controllable precision and configurable functionality. Here, a strategy for fabricating an amphiphilic triangular DNA origami with a central nanopore that integrates phase‐stabilizing, porous‐gated, and affinity‐delivering effects is presented. By introducing the DNA origami as a single‐component surfactant, the water‐in‐oil‐in‐water (W/O/W) emulsion is effectively stabilized with decreased interfacial tension. Microscopic observation validates the attachment of the DNA origami onto the water‐in‐oil and oil‐in‐water interfaces. Furthermore, fluorescence studies and molecular docking simulations indicate the binding interactions of DNA origami with arbutin and coumaric acid at docking sites within central nanopores. These central nanopores are functionalized as molecular gates and affinity‐based scaffold for the zero‐order release of arbutin and coumaric acid at a constant rate regardless of concentration gradient throughout the whole releasing period. In vivo zebrafish results illustrate the advantages of this zero‐order release for anti‐melanogenesis therapy over direct exposure or Fickian diffusion. The DNA origami‐based W/O/W emulsion presents anti‐melanogenic effects against UV‐B exposure without cardiotoxicity or motor toxicity. These results demonstrate that this non‐toxic amphiphilic triangular DNA origami is capable of solely stabilizing the W/O/W emulsion as well as serving as nanopore gates and affinity‐based scaffold for constant release.
Systems thinking assessments in engineering: A systematic literature review
Authors: Dugan Kelley E. , Mosyjowski Erika A. , Daly Shanna R. , Lattuca Lisa R.
Published: October 2021

Engineers, facing increasingly complex problems, need to understand the technical and contextual aspects of their work to develop effective solutions. Assessments of comprehensive systems thinking skills are needed to support the development of these skills and to inform professional placement. Thus, our study investigated current systems thinking assessments in engineering by systematically reviewing existing assessments. We analyzed which systems thinking skills were emphasized, how they were evaluated, how data were collected and in what content areas assessments were based. The results revealed a range of assessments, in terms of type, format, and content area, but a lack of assessments that equally prioritized accounting for technical and contextual considerations. This overview of assessments can be used by employers and educators to select assessments appropriate for their contexts and goals. Overall, this study demonstrates a need for comprehensive systems thinking assessments that evaluate performance.
Quantifying the CaO and CaF2 Content of Industrial Ladle Furnace Slag with Optical Emissions Measured through the Casting Spout
Authors: Pauna Henri , Aula Matti , Huttula Marko , Fabritius Timo
Published: October 2021

CaO and CaF2 are important slag constituents and additive materials in secondary metallurgy. Optimization of the quantity of these compounds has a key role in adjusting the slag chemistry for optimal refining properties. Herein, the CaO and CaF2 content of the slag is analyzed with optical emissions from an industrial ladle furnace measured through the casting spout. Molecular optical emissions from CaO and CaF are observed directly from the molten bath and the arc, whereas atomic emission lines from the slag components are detected in the arc spectra. Optical emissions from CaO, CaF, and atomic calcium lines are correlated with the CaO and CaF2 content of the slag. The CaO and CaF2 content of the slag could be evaluated from the spectra ranging from 10 to 41 min before the X‐ray fluorescence (XRF) analysis is finished. The mean differences between the optical emission spectroscopy (OES) and XRF analysis are 0.59% and 0.61% for CaF2 and 2.19% and 0.67% for CaO when using the spectra from the molten bath and the arc, respectively. The method has the potential to work as an in situ online measurement system due to real‐time data acquisition and fast computation times.
Lymphovascular invasion quantification could improve risk prediction of lymph node metastases in patients with submucosal (T1b) esophageal adenocarcinoma
Authors: van de Ven Steffi E. M. , Suzuki Lucia , Gotink Annieke W. , ten Kate Fiebo J. C. , Nieboer Daan , Weusten Bas L. A. M. , Brosens Lodewijk A. A. , van Hillegersberg Richard , Alvarez Herrero Lorenza , Seldenrijk Cees A. , Alkhalaf Alaa , Moll Freek C. P. , Curvers Wouter , van Lijnschoten Ineke G. , Tang Thjon J. , van der Valk Hans , Nagengast Wouter B. , Kats‐Ugurlu Gursah , Plukker John T. M. , Houben Martin H. M. G. , van der Laan Jaap S. , Pouw Roos E. , Bergman Jacques J. G. H. M. , Meijer Sybren L. , van Berge Henegouwen Mark I. , Wijnhoven Bas P. L. , de Jonge Pieter J. F. , Doukas Michael , Bruno Marco J. , Biermann Katharina , Koch Arjun D.
Published: October 2021

Aim

To quantify lymphovascular invasion (LVI) and to assess the prognostic value in patients with pT1b esophageal adenocarcinoma.

Methods

In this nationwide, retrospective cohort study, patients were included if they were treated with surgery or endoscopic resection for pT1b esophageal adenocarcinoma. Primary endpoint was the presence of metastases, lymph node metastases, or distant metastases, in surgical resection specimens or during follow‐up. A prediction model to identify risk factors for metastases was developed and internally validated.

Results

248 patients were included. LVI was distributed as follows: no LVI (n = 196; 79.0%), 1 LVI focus (n = 16; 6.5%), 2–3 LVI foci (n = 21; 8.5%) and ≥4 LVI foci (n = 15; 6.0%). Seventy‐eight patients had metastases. The risk of metastases was increased for tumors with 2–3 LVI foci [subdistribution hazard ratio (SHR) 3.39, 95% confidence interval (CI) 2.10–5.47] and ≥4 LVI foci (SHR 3.81, 95% CI 2.37–6.10). The prediction model demonstrated a good discriminative ability (c‐statistic 0.81).

Conclusion

The risk of metastases is higher when more LVI foci are present. Quantification of LVI could be useful for a more precise risk estimation of metastases. This model needs to be externally validated before implementation into clinical practice.
Density functional theory calculations of large systems: Interplay between fragments, observables, and computational complexity
Authors: Dawson William , Degomme Augustin , Stella Martina , Nakajima Takahito , Ratcliff Laura E. , Genovese Luigi
Published: October 2021

In the past decade, developments of computational technology around density functional theory (DFT) calculations have considerably increased the system sizes which can be practically simulated. The advent of robust high performance computing algorithms which scale linearly with system size has unlocked numerous opportunities for researchers. This fact enables computational physicists and chemists to investigate systems of sizes which are comparable to systems routinely considered by experimentalists, leading to collaborations with a wide range of techniques and communities. This has important consequences for the investigation paradigms which should be applied to reduce the intrinsic complexity of quantum mechanical calculations of many thousand atoms. It becomes important to consider portions of the full system in the analysis, which have to be identified, analyzed, and employed as building‐blocks from which decomposed physico‐chemical observables can be derived. After introducing the state‐of‐the‐art in the large scale DFT community, we will illustrate the emerging research practices in this rapidly expanding field, and the knowledge gaps which need to be bridged to face the stimulating challenge of the simulation of increasingly realistic systems.

This article is categorized under:

Electronic Structure Theory > Density Functional Theory

Software > Simulation Methods

Structure and Mechanism > Computational Materials Science
Synthesis, Crystal Structures, Magnetic Properties and Hirshfeld Surface Analysis of Cu/Mn Coordination Polymers
Authors: Zhou Tao , Zhang Chong , Zhang Zilong , Zhang Yujie , Xiao Yu
Published: October 2021

Two new coordination polymers [Cu(L)(phen)]n (1) and {[Mn2(L)2(phen)2]⋅H2O}n (2, H2L is 4,4′‐(azanediylbis(methylene))dibenzoic acid, phen is o‐phenanthroline) were synthesized using hydrothermally method. Complexes 1 and 2 were characterized by powder XRD, FT‐IR, elemental analysis, thermogravimetry, and X‐ray single‐crystal diffraction. Complex 1 belongs to monoclinic system with space group P21/n while complex 2 belongs to triclinic system with space group Pī. Complex 1 is 1D coordination polymers while complex 2 is 2D coordination polymers. Hirshfeld surface analysis of 1 and 2 were investigated and discussed in detail. Moreover, Magnetic studies reveal that complex 2 displays dominant antiferromagnetic interactions between MnII ions through syn‐syn‐carboxyl bridges.
Fishing Livelihoods and Social Diversity
Authors: Fabinyi Michael , Barclay Kate
Published: October 2021

This chapter shifts scale from Chap.10.1007/978-3-030-79591-7_2to focus on the local context and analyse the everyday sets of social relationships that frame the lives of those engaged in fishing livelihoods. The broad structural forces of migration, technology and markets along with the wider economy all intersect with local sets of social structures to shape the conditions in which fishing livelihoods operate. Here we present two examples of how different forms of social differentiation interact with fishing livelihoods. In the Western Philippines, class and status intersect with cultural values to generate power relations and hierarchies in different roles associated with fishing livelihoods. In Pacific Island countries, gender norms structure the different types of fishing activities in which men and women are involved.
STATUS QUO
Authors: Mitteregger Mathias , Bruck Emilia M. , Soteropoulos Aggelos , Stickler Andrea , Berger Martin , Dangschat Jens S. , Scheuvens Rudolf , Banerjee Ian
Published: October 2021

Modern society is in the midst of a rapid, intense and extensive transformation. One of the main reasons for this change is the increasing pace of globalization, which is notably responsible for intensifying trade relations, driving capital markets and thus economic competition between nation states, but also facilitating cultural exchange. A key element that makes it all possible is the ability to communicate globally via the Web 2.0 (see Chap. 3.1.1).
SCENARIOS
Authors: Mitteregger Mathias , Bruck Emilia M. , Soteropoulos Aggelos , Stickler Andrea , Berger Martin , Dangschat Jens S. , Scheuvens Rudolf , Banerjee Ian
Published: October 2021

Developing scenarios means producing multilayered visualizations of a possible future that take into account economic, technological, social, policy and planning aspects. Starting with an analysis of the current situation, they demonstrate – quantitively or normatively and narratively (Kosow et al. 2008: 52–55) – often idealized options, which are normally characterized by different interests, objectives and interventions (Schulz-Montag/Müller-Stoffels 2006, Wilms 2006, Heinecke 2012, Fagnant/Kockelman 2014b).
Hidden photon and axion dark matter from symmetry breaking
Authors: Nakayama Kazunori , Yin Wen
Published: October 2021

Abstract

A light hidden photon or axion-like particle is a good dark matter candidate and they are often associated with the spontaneous breaking of dark global or gauged U(1) symmetry. We consider the dark Higgs dynamics around the phase transition in detail taking account of the portal coupling between the dark Higgs and the Standard Model Higgs as well as various thermal effects. We show that the (would-be) Nambu-Goldstone bosons are efficiently produced via a parametric resonance with the resonance parameter q ∼ 1 at the hidden symmetry breaking. In the simplest setup, which predicts a second order phase transition, this can explain the dark matter abundance for the axion or hidden photon as light as sub eV. Even lighter mass, as predicted by the QCD axion model, can be consistent with dark matter abundance in the case of first order phase transition, in which case the gravitational wave signals may be detectable by future experiments such as LISA and DECIGO.
Correlator correspondences for subregular $$ \mathcal{W} $$-algebras and principal $$ \mathcal{W} $$-superalgebras
Authors: Creutzig Thomas , Hikida Yasuaki , Stockal Devon
Published: October 2021

Abstract

We examine a strong/weak duality between a Heisenberg coset of a theory with $$ \mathfrak{sl} $$
sl
n subregular $$ \mathcal{W} $$
W
-algebra symmetry and a theory with a $$ \mathfrak{sl} $$
sl
n|1-structure. In a previous work, two of the current authors provided a path integral derivation of correlator correspondences for a series of generalized Fateev-Zamolodchikov-Zamolodchikov (FZZ-)duality. In this paper, we derive correlator correspondences in a similar way but for a different series of generalized duality. This work is a part of the project to realize the duality of corner vertex operator algebras proposed by Gaiotto and Rapčák and partly proven by Linshaw and one of us in terms of two dimensional conformal field theory. We also examine another type of duality involving an additional pair of fermions, which is a natural generalization of the fermionic FZZ-duality. The generalization should be important since a principal $$ \mathcal{W} $$
W
-superalgebra appears as its symmetry and the properties of the superalgebra are less understood than bosonic counterparts.
Quenching effects in the cumulative jet spectrum
Authors: Takacs Adam , Tywoniuk Konrad
Published: October 2021

Abstract

The steeply falling jet spectrum induces a bias on the medium modifications of jet observables in heavy-ion collisions. To explore this effect, we develop a novel analytic framework to study the quenched jet spectrum and its cumulative. We include many energy-loss-related effects, such as soft and hard medium induced emissions, broadening, elastic scattering, jet fragmentation, cone size dependence, and coherence effects. We show that different observables, based on the jet spectrum, are connected, e.g., the nuclear modification, spectrum shift, and the quantile procedure. We present the first predictions for the nuclear modification factor and the quantile procedure with cone size dependence. As a concrete example, we compare dijet and boson+jet events to unfold the spectrum bias effects, and improve quark-, and gluon-jet classification using arguments based on the cumulative. Besides pointing out its flexibility, finally, we apply our framework to other energy loss models such as the hybrid weak/strong-coupling approach.
Conformal dimension of hyperbolic groups that split over elementary subgroups
Authors: Carrasco Matias , Mackay John M.
Published: October 2021

We study the (Ahlfors regular) conformal dimension of the boundary at infinity of Gromov hyperbolic groups which split over elementary subgroups. If such a group is not virtually free, we show that the conformal dimension is equal to the maximal value of the conformal dimension of the vertex groups, or 1, whichever is greater, and we characterise when the conformal dimension is attained. As a consequence, we are able to characterise which Gromov hyperbolic groups (without 2-torsion) have conformal dimension 1, answering a question of Bonk and Kleiner.
First-order VEM for Reissner–Mindlin plates
Authors: D’Altri A. M. , Patruno L. , de Miranda S. , Sacco E.
Published: October 2021

In this paper, a first-order virtual element method for Reissner–Mindlin plates is presented. A standard displacement-based variational formulation is employed, assuming transverse displacement and rotations as independent variables. In the framework of the first-order virtual element, a piecewise linear approximation is assumed for both displacement and rotations on the boundary of the element. The consistent term of the stiffness matrix is determined assuming uncoupled polynomial approximations for the generalized strains, with different polynomial degrees for bending and shear parts. In order to mitigate shear locking in the thin-plate limit while keeping the element formulation as simple as possible, a selective scheme for the stabilization term of the stiffness matrix is introduced, to indirectly enrich the approximation of the transverse displacement with respect to that of the rotations. Element performance is tested on various numerical examples involving both thin and thick plates and different polygonal meshes.
CAR T-cell therapy and critical care
Authors: Messmer Anna S. , Que Yok-Ai , Schankin Christoph , Banz Yara , Bacher Ulrike , Novak Urban , Pabst Thomas
Published: October 2021

Chimeric antigen receptor (CAR) T‑cells are genetically engineered to give T‑cells the ability to attack specific cancer cells, and to improve outcome of patients with refractory/relapsed aggressive B‑cell malignancies. To date, several CAR T‑cell products are approved and additional products with similar indication or extended to other malignancies are currently being evaluated. Side effects of CAR T‑cell treatment are potentially severe or even life-threatening immune-related toxicities, specifically cytokine release syndrome (CRS) and immune effector cell-associated neurotoxicity syndrome (ICANS). Consequently, medical emergency teams (MET) are increasingly involved in the assessment and management of CAR T‑cell recipients. This article describes the principles of CAR T‑cell therapy and summarizes the main complications and subsequent therapeutic interventions aiming to provide a survival guide for METs with a proposed management algorithm.
Harmonize: a shared environment for extended immersive entertainment
Authors: Oriti Damiano , Manuri Federico , Pace Francesco De , Sanna Andrea
Published: October 2021

Virtual reality (VR) and augmented reality (AR) applications are very diffuse nowadays. Moreover, recent technology innovations led to the diffusion of commercial head-mounted displays for immersive VR: users can enjoy entertainment activities that fill their visual fields, experiencing the sensation of physical presence in these virtual immersive environments. Even if AR and VR are mostly used separately, they can be effectively combined to provide a multi-user shared environment (SE), where two or more users perform some specific tasks in a cooperative or competitive way, providing a wider set of interactions and use cases compared to immersive VR alone. However, due to the differences between the two technologies, it is difficult to develop SEs offering a similar experience for both AR and VR users. This paper presents Harmonize, a novel framework to deploy applications based on SEs with a comparable experience for both AR and VR users. Moreover, the framework is hardware-independent, and it has been designed to be as much extendable to novel hardware as possible. An immersive game has been designed to test and to evaluate the validity of the proposed framework. The assessment of the system through the System Usability Scale questionnaire and the Game Experience Questionnaire shows a positive evaluation.
The costs of celiac disease: a contingent valuation in Switzerland
Authors: Soler Laia , Borzykowski Nicolas
Published: October 2021

This paper proposes a first monetary measure of the private costs of celiac disease, including intangible costs (physical symptoms, logistical constraints, etc.) in Switzerland. This auto-immune disease damages the intestine when patients ingest gluten. The only treatment currently available is a gluten-free diet, which implies great nutritional constraints. To get a monetary equivalent of the costs borne by celiac patients, we used a contingent valuation. The scenario suggested to celiac patients a treatment in form of a daily pill, which would allow them to eat normally and avoid any physical pain from celiac disease. Mean Willingness To Pay (WTP) for the treatment is found to be around CHF 87 (approx. USD 87) per month. WTP is positively influenced by direct and indirect costs of the disease. Oppositely, individuals, who find the gluten-free diet healthier are willing to pay less. Finally, unlike symptoms before diagnostic, the current presence or intensity of physical symptoms are found to be insignificant. The latter result can be explained by the fact that, individuals facing stronger symptoms are more likely to adhere strictly to the GFD and hence to reduce their frequency.
Akut symptomatische Anfälle und posttraumatische Epilepsie nach Schädel-Hirn-Trauma bei Erwachsenen und Kindern
Authors: Feichtinger Michael , Koch Johannes
Published: October 2021

Epileptische Anfälle als Folge eines Schädel-Hirn-Traumas (SHT) werden entsprechend ihres zeitlichen Auftretens in Bezug zum ursächlichen Ereignis in Frühanfälle (bis zu 7 Tage nach Trauma) und Spätanfälle (> 7 Tage nach Trauma) unterteilt. Immediatanfälle werden als Untergruppe der Frühanfälle abgegrenzt und sind als akut symptomatische Anfälle, die innerhalb von 24 h nach dem SHT auftreten, definiert. Eine posttraumatische Epilepsie liegt bei ≥ 2 epileptischen Anfällen als Folge eines Traumas vor. Die meisten posttraumatischen Anfälle ereignen sich innerhalb der ersten 2 Jahre nach dem SHT. Schwere Traumen korrelieren mit einem deutlich erhöhten Risiko für Früh- und Spätanfälle, bedingt durch die direkten Folgen der Gewalteinwirkung und die sekundären pathophysiologischen Reaktionsmuster auf zellulärer Ebene einschließlich neuroinflammatorischer Prozesse. Der prophylaktische Einsatz von Antikonvulsiva wird generell nicht empfohlen. Diese können das Auftreten von Frühanfällen reduzieren, haben aber keinen relevanten Einfluss auf die durch das Trauma eingeleitete Epileptogenese bzw. das Auftreten von Spätanfällen oder einer posttraumatischen Epilepsie.
Disrupting the Systems: Opportunities to Enhance Methodological Approaches to Address Socio-Structural Determinants of HIV and End the Epidemic Through Effective Community Engagement
Authors: Rodriguez-Diaz Carlos E. , Davis Wendy , Ellis Marcia V. , Cameron Martha Sichone , Donastorg Yeycy , Bowleg Lisa , Greenberg Alan , Kerrigan Deanna
Published: October 2021

A world without HIV is only possible by addressing the socio-structural determinants of health. Our understanding of socio-structural determinants is constantly changing, and parallel changes must occur with the methodologies used to explain the drivers of the HIV epidemic. We argue for the need to engage communities in the planning, implementation, and dissemination of research on the socio-structural determinants of HIV. Community engagement should cross-cut various types of research including rigorous measurement development of socio-structural determinants and novel analytic techniques to model their role in the trajectory of the epidemic and the impact of interventions. Considering the role of place, we recommend collaboration between scientists and communities in the interpretation of results from studies that map HIV-related behaviors and movement. As we collectively delve into historically oppressive systems with colonial antecedents, we must be ready to challenge these systems and replace them with collaborative models. The success of research-driven HIV policy and programming will best be evaluated with methodologies derived from the insights of the very individuals that these policies and programs aim to serve.
Modal context restriction for multiagent BDI logics
Authors: Dziubiński Marcin
Published: October 2021

We present and discuss a novel language restriction for modal logics for multiagent systems, called modal context restriction, that reduces the complexity of the satisfiability problem from EXPTIME complete to NPTIME complete. We focus on BDI multimodal logics that contain fix-point modalities like common beliefs and mutual intentions together with realism and introspection axioms. We show how this combination of modalities and axioms affects complexity of the satisfiability problem and how it can be reduced by restricting the modal context of formulas.
Genetic variants in the p53 pathway influence implantation and pregnancy maintenance in IVF treatments using donor oocytes
Authors: Palomares Arturo R. , Castillo-Domínguez Adrián Alberto , Ruiz-Galdón Maximiliano , Rodriguez-Wallberg Kenny A. , Reyes-Engel Armando
Published: October 2021

Purpose

Single-nucleotide polymorphisms (SNPs) in the p53 pathways have shown to play a role in endometrial receptivity and implantation in infertile women undergoing in vitro fertilization (IVF). The present study aimed to assess the influence of these gene variants over pregnancy success through a receptivity model in recipients of egg donation treatments, when factors such as age and quality of the oocytes are standardized.

Methods

A nested case–control study was performed on 234 female patients undergoing their first fresh IVF treatment as recipients of donor oocytes. Genotyping of TP53 Arg72Pro (rs1042522), LIF (rs929271), MDM4 (rs1563828), and USP7 (rs1529916) SNPs in the recipients allowed comparison of allele and genotype frequencies and their association with the IVF treatment outcome.

Results

Grouped by genotypes, patients showed differences in IVF outcomes after the embryo transfer. Arg72Pro (rs1042522) gene variant was associated to changes in implantation and clinical pregnancy rates. The polymorphisms USP7 (rs1529916) and MDM4 (rs1563828) were associated to differential ongoing pregnancy rates and variable miscarriage events, respectively.

Conclusions

This study highlights the association between gene polymorphisms related to P53 function and their influence over IVF reproductive outcomes. Arg72Pro variant may influence early events, as lower implantation rates were found in homozygous for Pro72 allele. By contrast, MDM4 (rs1563828) and USP7 (rs1529916) gene variants were associated with the later maintenance of pregnancy.
Generative models for capturing and exploiting the influence of process conditions on process curves
Authors: Iraki Tarek , Link Norbert
Published: October 2021

Variations of dedicated process conditions (such as workpiece and tool properties) yield different process state evolutions, which are reflected by different time series of the observable quantities (process curves). A novel method is presented, which firstly allows to extract the statistical influence of these conditions on the process curves and its representation via generative models, and secondly represents their influence on the ensemble of curves by transformations of the representation space. A latent variable space is derived from sampled process data, which represents the curves with only few features. Generative models are formed based on conditional propability functions estimated in this space. Furthermore, the influence of conditions on the ensemble of process curves is represented by estimated transformations of the feature space, which map the process curve densities with different conditions on each other. The latent space is formed via Multi-Task-Learning of an auto-encoder and condition-detectors. The latter classifies the latent space representations of the process curves into the considered conditions. The Bayes framework and the Multi-task Learning models are used to obtain the process curve probabilty densities from the latent space densities. The methods are shown to reveal and represent the influence of combinations of workpiece and tool properties on resistance spot welding process curves.