bluuebunny/crossref_metadata_2025 huggingface dataset:
Zwitterionic Polymer Hairy Coating onto Mesh toward Easy Oil/Water Separation
Authors: Wang Chunyu , Liu Yingze , Shao Yue , Tang Zian , Wen Zhendong , Liang Fuxin , Yang Zhenzhong
Published: February 2022

A zwitterionic polymeric hair‐coated stainless steel mesh membrane is fabricated, which demonstrates efficient separation of oil/water mixtures and emulsions. The hairy coating of poly(divinylbenzene‐co‐vinylbenzene chloride) is generated by precipitation cationic polymerization, and subsequently grafting a zwitterionic polymer layer by atom transfer radical polymerization of sulfobetaine methacrylate. The microstructure of the hairy coating is tunable from an array of individual nanofibers to porous networks by interweaving of the hairs. The long‐range attraction of zwitterionic polymers with water renders the coated mesh with excellent superhydrophilic and underwater superoleophobic performance. The coated mesh is highly antifouling to avoid the prehydration in conventional methods. Moreover, the microstructure is demonstrated to be responsible for the high separation efficiency of oil/water emulsion. Therefore, separation of oil/water mixtures and emulsions becomes easier by the coated mesh, which is promising in industrial oil field sewage treatment.
High Refractive Index, Enantiopure Silicones Based on BINOL
Authors: Melendez‐Zamudio Miguel , Silverthorne Kaitlyn E. C. , Brook Michael A.
Published: February 2022

The high refractive index aromatic compound, binaphthol (BINOL), is readily incorporated into silicone polymer chains using the Piers–Rubinsztajn (PR) reaction; alternating and random linear copolymers, and elastomers are available. The highest refractive index (RI) materials are BINOL rich. It is not possible to directly make high refractive index linear polymers with very short HSi‐capped, telechelic silicone chains, as they do not react cleanly. However, chain extending short vinyl‐capped BINOL macromers with simple arylsilanes using hydrosilylation leads to polymers with a molar mass of up to 8000 and refractive indices of up to 1.58. Elastomers are prepared using similar processes. The reactions are facile to practice and suggest BINOL can be harnessed in these and other processes to augment RI.
Thermally Activated Delayed Fluorescence Polysiloxanes with Short Delay Fluorescence Lifetimes
Authors: Liu Silu , Li Quanwei , Hua Lei , Zhao Zhennan , Ren Zhongjie , Yan Shouke
Published: February 2022

Blue‐emitting thermally activated delayed fluorescence (TADF) polymers are still in demand for high‐efficiency display materials. Through‐space charge transfer (TSCT) strategy is promising for keeping color purity of blue‐emitting polymers with nonconjugated main chains. It is, however, hard to synthesize copolymers with well‐dispersed donors or acceptors utilizing traditional polyethylene backbones via radical polymerization. Herein, two series of blue‐emitting polysiloxane with TADF properties, random and order‐controlled copolysiloxanes, are successfully designed and synthesized and their photophysical properties are investigated and compared in detail. All of them display short prompt and delay fluorescence lifetimes and a very fast reverse intersystem crossing (RISC) rate of 107 s−1. Compared with random copolysiloxanes, acceptors are well separated by donors for order‐controlled copolysiloxanes, which exhibit the faster RISC processes and the higher photoluminescence quantum yield. Therefore, the order‐controlled architecture provides a guide for improving light‐emitting efficiency of TSCT‐type TADF polymers.
“Free replacement extended warranty” or “traditional extended warranty”: Optimal extended warranty selection strategy
Authors: Cao Kaiying , Su Yunyi , Xu Yuqiu , Wang Jia
Published: February 2022

A variety of new extended warranty services are increasingly emerging nowadays, among which “free replacement extended warranty” service is favored by many consumers. Considering resource constraints and cannibalism, firms are facing the challenge of providing the “free replacement extended warranty” service (NR) or the “traditional extended warranty” service (EW). To meet this challenge, we develop theoretical models and optimize the models to obtain management implications. The results show that firms should choose the NR strategy when the traditional extended warranty cost coefficient is relatively high and the free replacement cost coefficient is relatively low. Otherwise, the EW strategy is better.
Validation of the Arabic Version of the Movement Disorder Society‐Unified Parkinson's Disease Rating Scale
Authors: Khalil Hanan , Aldaajani Zakiyah F. , Aldughmi Mayis , Al‐Sharman Alham , Mohammad Tareq , Mehanna Raja , El‐Jaafary Shaimaa I. , Dahshan Ahmed , Ben Djebara Mouna , Kamel Walaa A. , Amer Hanan A. , Farghal Mohammed , Abdulla Fatema , Al‐Talai Nouf , Snineh Muneer Abu , Farhat Nouha , Jamali Fatima A. , Matar Rawan K. , Abdelraheem Heba S. , Ghonimi Nesma A.M. , Al‐Melh Mishal Abu , Elbhrawy Sonia , Alotaibi Majid S. , Elaidy Shaimaa A. , Almuammar Shahad A. , Al‐Hashel Jasem Y. , Gouider Riadh , Samir Hatem , Mhiri Chokri , Skorvanek Matej , Lin Jeffrey , Martinez‐Martin Pablo , Stebbins Glenn T. , Luo Sheng , Goetz Christopher G. , Bajwa Jawad A.
Published: February 2022

Background

The Movement Disorder Society‐Unified Parkinson's Disease Rating Scale (MDS‐UPDRS) has become the gold standard for evaluating different domains in Parkinson's disease (PD), and it is commonly used in clinical practice, research, and clinical trials.

Objectives

The objectives are to validate the Arabic‐translated version of the MDS‐UPDRS and to assess its factor structure compared with the English version.

Methods

The study was carried out in three phases: first, the English version of the MDS‐UPDRS was translated into Arabic and subsequently back‐translated into English by independent translation team; second, cognitive pretesting of selected items was performed; third, the Arabic version was tested in over 400 native Arabic‐speaking PD patients. The psychometric properties of the translated version were analyzed using confirmatory factor analysis (CFA) as well as exploratory factor analysis (EFA).

Results

The factor structure of the Arabic version was consistent with that of the English version based on the high CFIs for all four parts of the MDS‐UPDRS in the CFA (CFI ≥0.90), confirming its suitability for use in Arabic.

Conclusions

The Arabic version of the MDS‐UPDRS has good construct validity in Arabic‐speaking patients with PD and has been thereby designated as an official MDS‐UPDRS version. The data collection methodology among Arabic‐speaking countries across two continents of Asia and Africa provides a roadmap for validating additional MDS rating scale initiatives and is strong evidence that underserved regions can be energically mobilized to promote efforts that apply to better clinical care, education, and research for PD. © 2022 International Parkinson and Movement Disorder Society
Identification of a novel heterozygous SOX9 variant in a Chinese family with congenital heart disease
Authors: Gong Li , Wang Chunyan , Xie Haiyang , Gao Jun , Li Tengyan , Qi Shenggui , Wang Binbin , Wang Jing
Published: February 2022

Background

Previous studies of individuals with hereditary or sporadic congenital heart disease (CHD) have provided strong evidence for a genetic basis for CHD. The aim of this study was to identify novel pathogenic genes and variants in a Chinese CHD family.

Methods

Three generations of a family with CHD were recruited. We performed whole exome sequencing for the affected individuals and the proband's unaffected aunt to investigate the genetic causes of CHD in this family. Heterozygous variants carried by the proband and her maternal grandmother, but not the proband's aunt, were selected. The frequencies of the variants detected were assessed using public databases, and their influences on protein function were predicted using online prediction software. The candidate variant was further confirmed by Sanger sequencing of other members of the family.

Results

On the basis of the family's pedigree, the mode of inheritance was speculated to be autosomal dominant with incomplete penetrance. We identified a novel heterozygous missense variant in SOX9 in all affected individuals and one asymptomatic family member, suggesting an inheritance pattern with incomplete penetrance. The variant was not found in any public database. In addition, the variant was highly conserved among mammals, and was predicted to be deleterious by online software programs.

Conclusions

We report for the first time a novel heterozygous missense variant in SOX9 (NM_000346:c.931G>T:p.Gly311Cys) in a Chinese CHD family. Our results provide further evidence supporting a causative role for SOX9 variants in CHD.
Frames of solutions and discrete analysis of pseudo‐differential equations
Authors: Vasilyev Alexander V. , Vasilyev Vladimir B. , Tarasova Oksana A.
Published: February 2022

We construct discrete analogs of multidimensional singular integral operators and study their invertibility. Moreover, we give a comparison between continual and discrete case. We give the theory of periodic Riemann problem also, because it is needed for studying invertibility of so‐called paired equations. For more general case of pseudo‐differential operators, we construct the solvability theory for discrete pseudo‐differential equations in discrete analogs of Sobolev–Slobodetskii spaces. Some comparison results for discrete and continuous solutions are given also in appropriate discrete normed spaces.
Homogenization of the heat equation in a noncylindrical domain with randomly oscillating boundary
Authors: Nandakumaran Akambadath Keerthiyil , Sankar Kasinathan
Published: February 2022

In this article, we study the homogenization of heat equations in a domain with randomly oscillating boundary parts. The random oscillating boundary is time‐dependent and confined by a stationary random field. Here, we follow a new homogenization technique that deals with the evolving domains, which covers many applications. We obtain the asymptotic limit asε → 0 in the reference configuration, in which the heat equation becomes a parabolic equation with random oscillating coefficients in the reference domain. To the best of our knowledge, this is the first result of the homogenization of problems on the random evolving boundary domain. One of the major contributions is the corrector result which we establish in this article.
A hyperparameter‐tuning approach to automated inverse planning
Authors: Maass K. , Aravkin A. , Kim M.
Published: February 2022

Background

In current practice, radiotherapy inverse planning often requires treatment planners to modify multiple parameters in the treatment planning system's objective function to produce clinically acceptable plans. Due to the manual steps in this process, plan quality can vary depending on the planning time available and the planner's skills.

Purpose

This study investigates the feasibility of two hyperparameter‐tuning methods for automated inverse planning. Because this framework does not train a model on previously optimized plans, it can be readily adapted to practice pattern changes, and the resulting plan quality is not limited by that of a training cohort.

Method

We retrospectively selected 10 patients who received lung stereotactic body radiation therapy using manually generated clinical plans. We implemented random sampling and Bayesian optimization to automatically tune objective function parameters using linear–quadratic utility functions based on 11 clinical goals. Normalizing all plans to deliver a minimum dose of 48 Gy to 95% of the planning target volume, we compared plan quality for the automatically generated plans to the manually generated plans. We also investigated the impact of iteration count on the automatically generated plans, comparing planning time and plan utility for randomized and Bayesian plans with and without stopping criteria.

Results

Without stopping criteria, the median planning time was 1.9 and 2.3 h for randomized and Bayesian plans, respectively. The organ‐at‐risk (OAR) doses in the randomized and Bayesian plans had a median percent difference (MPD) of 48.7% and 60.4% below clinical dose limits and an MPD of 2.8% and 3.3% below clinical plan doses. With stopping criteria, the utility decreased by an MPD of 5.3% and 3.9% for randomized and Bayesian plans, but the median planning time was reduced to 0.5 and 0.7 h, and the OAR doses still had an MPD of 42.9% and 49.7% below clinical dose limits and an MPD of 0.3% and 1.8% below clinical plan doses.

Conclusions

This study demonstrates that hyperparameter‐tuning approaches to automated inverse planning can reduce the treatment planner's active planning time with plan quality that is similar to or better than manually generated plans.
Technical note: Impact of beam properties for uveal melanoma proton therapy—An in silico planning study
Authors: Wulff Jörg , Koska Benjamin , Janson Martin , Bäumer Christian , Denker Andrea , Geismar Dirk , Gollrad Johannes , Timmermann Beate , Heufelder Jens
Published: February 2022

Purpose

To evaluate the impact of beam quality in terms of distal fall‐off (DFO, 90%–10%) and lateral penumbra (LP, 80%–20%) of single beam ocular proton therapy (OPT) and to derive resulting ideal requirements for future systems.

Methods

Nine different beam models with DFO varying between 1 and 4 mm and LP between 1 and 4 mm were created. Beam models were incorporated into the RayStation with RayOcular treatment planning system version 10 B (RaySearch Laboratories, Stockholm, Sweden). Each beam model was applied for eight typical clinical cases, covering different sizes and locations of uveal melanoma. Plans with and without an additional wedge were created, resulting in 117 plans with a total prescribed median dose of 60 Gy(RBE) to the clinical target volume. Treatment plans were analyzed in terms of V20–V80 penumbra volume, D1 (dose to 1% of the volume) for optic disc and macula, optic nerve V30 (volume receiving 30 Gy(RBE), i.e., 50% of prescription), as well as average dose to lens and ciliary body. An LP‐dependent aperture margin was based on estimated uncertainties, ranging from 1.7 to 4.0 mm.

Results

V20–V80 showed a strong influence by LP, while DFO was less relevant. The optic disc D1 reached an extra dose of up to 3000 cGy(RBE), comparing the defined technical limit of DFO = LP = 1 mm with DFO = 3 mm/LP = 4 mm. The latter may result from a pencil‐beam scanning (PBS) system with static apertures. Plans employing a wedge showed an improvement for organs at risk sparing.

Conclusion

Plan quality is strongly influenced by initial beam parameters. The impact of LP is more pronounced when compared to DFO. The latter becomes important in the treatment of posterior tumors near the macula, optic disc or optic nerve. The plan quality achieved by dedicated OPT nozzles in single‐ or double‐scattering design might not be achievable with modified PBS systems.
Delayed PET imaging using image synthesis network and nonrigid registration without additional CT scan
Authors: Rao Fan , Wu Zhuoxuan , Han Lu , Yang Bao , Han Weidong , Zhu Wentao
Published: February 2022

Purpose

Attenuation correction is critical for positron emission tomography (PET) image reconstruction. The standard protocol for obtaining attenuation information in a clinical PET scanner is via coregistered computed tomography (CT) images. Therefore, for delayed PET imaging, the CT scan is repeated twice, which increases the radiation dose for the patient. In this paper, we propose a zero‐extradose delayed PET imaging method that requires no additional CT scans.

Methods

A deep learning‐based synthesis network is designed to convert PET data into pseudo‐CT images for delayed scans. Then, nonrigid registration is performed between this pseudo CT image and the CT image of the first scan, warping the CT image of the first scan to an estimated CT image for the delayed scan. Finally, the PET image attenuation correction in the delayed scan is obtained from this estimated CT image. Experiments with clinical datasets are implemented to assess the effectiveness of the proposed method with the well‐recognized Generative Adversarial Networks (GAN) method. The average peak signal‐to‐noise ratio (PSNR) and the mean absolute percent error (MAPE) are used for comparison. We also use scoring from three experienced radiologists as subjective measurement means based on the diagnostic consistency of the PET images reconstructed from GAN and the proposed method with respect to the ground truth images.

Results

The experiments show that the average PSNR is 47.04 dB (the proposed method) vs. 44.41 dB (the traditional GAN method) for the reconstructed delayed PET images in our evaluation dataset. The average MAPEs are 1.59% for the proposed method and 3.32% for the traditional GAN method across five organ regions of interest (ROIs). The scores for the GAN and the proposed method rated by three experienced radiologists are 8.08±0.60 and 9.02±0.52, indicating that the proposed method yields more consistent PET images with the ground truth.

Conclusions

This work proposes a novel method for CT‐less delayed PET imaging based on image synthesis network and nonrigid image registration. The PET image reconstructed using the proposed method yields delayed PET images with high image quality without artifacts and is quantitatively more accurate than the traditional GAN method.
Neural network dose prediction for rectal spacer stratification in dose‐escalated prostate radiotherapy
Authors: Thomas Christopher , Dregely Isabel , Oksuz Ilkay , Guerrero Urbano Teresa , Greener Tony , King Andrew P. , Barrington Sally F.
Published: February 2022

Purpose

To develop a knowledge‐based decision‐support system capable of stratifying patients for rectal spacer (RS) insertion based on neural network predicted rectal dose, reducing the need for time‐ and resource‐intensive radiotherapy (RT) planning.

Methods

Forty‐four patients treated for prostate cancer were enrolled into a clinical trial (NCT03238170). Dose‐escalated prostate RT plans were manually created for 30 patients with simulated boost volumes using a conventional treatment planning system (TPS) and used to train a hierarchically dense 3D convolutional neural network to rapidly predict RT dose distributions. The network was used to predict rectal doses for 14 unseen test patients, with associated toxicity risks calculated according to published data. All metrics obtained using the network were compared to conventionally planned values.

Results

The neural network stratified patients with an accuracy of 100% based on optimal rectal dose–volume histogram constraints and 78.6% based on mandatory constraints. The network predicted dose‐derived grade 2 rectal bleeding risk within 95% confidence limits of ‐1.9% to +1.7% of conventional risk estimates (risk range 3.5%–9.9%) and late grade 2 fecal incontinence risk within ‐0.8% to +1.5% (risk range 2.3%–5.7%). Prediction of high‐resolution 3D dose distributions took 0.7 s.

Conclusions

The feasibility of using a neural network to provide rapid decision support for RS insertion prior to RT has been demonstrated, and the potential for time and resource savings highlighted. Directly after target and healthy tissue delineation, the network is able to (i) risk stratify most patients with a high degree of accuracy to prioritize which patients would likely derive greatest benefit from RS insertion and (ii) identify patients close to the stratification threshold who would require conventional planning.
Impact of the training loss in deep learning–based CT reconstruction of bone microarchitecture
Authors: Leuliet Théo , Maxim Voichiţa , Peyrin Françoise , Sixou Bruno
Published: February 2022

Purpose

Computed tomography (CT) is a technique of choice to image bone structure at different scales. Methods to enhance the quality of degraded reconstructions obtained from low‐dose CT data have shown impressive results recently, especially in the realm of supervised deep learning. As the choice of the loss function affects the reconstruction quality, it is necessary to focus on the way neural networks evaluate the correspondence between predicted and target images during the training stage. This is even more true in the case of bone microarchitecture imaging at high spatial resolution where both the quantitative analysis of bone mineral density (BMD) and bone microstructure is essential for assessing diseases such as osteoporosis. Our aim is thus to evaluate the quality of reconstruction on key metrics for diagnosis depending on the loss function that has been used for training the neural network.

Methods

We compare and analyze volumes that are reconstructed with neural networks trained with pixelwise, structural, and adversarial loss functions or with a combination of them. We perform realistic simulations of various low‐dose acquisitions of bone microarchitecture. Our comparative study is performed with metrics that have an interest regarding the diagnosis of bone diseases. We therefore focus on bone‐specific metrics such as bone volume and the total volume (BV and TV), resolution, connectivity assessed with the Euler number, and quantitative analysis of BMD to evaluate the quality of reconstruction obtained with networks trained with the different loss functions.

Results

We find that using norm as the pixelwise loss is the best choice compared to or no pixelwise loss since it improves resolution without deteriorating other metrics. Visual Geometry Group (VGG) perceptual loss, especially when combined with an adversarial loss, allows to better retrieve topological and morphological parameters of bone microarchitecture compared to Structural SIMilarity (SSIM) index. This however leads to a decreased resolution performance. The adversarial loss enhances the reconstruction performance in terms of BMD distribution accuracy.

Conclusions

In order to retrieve the quantitative and structural characteristics of bone microarchitecture that are essential for postreconstruction diagnosis, our results suggest to use norm as part of the loss function. Then, trade‐offs should be made depending on the application: VGG perceptual loss improves accuracy in terms of connectivity at the cost of a deteriorated resolution, and adversarial losses help better retrieve BMD distribution while significantly increasing the training time.
Management of Spinal Muscular Atrophy in the Adult Population
Authors: Rad Nassim , Cai Haibi , Weiss Michael D.
Published: February 2022

Spinal muscular atrophy (SMA) is a group of neurodegenerative disorders resulting from the loss of spinal motor neurons. 95% of patients share a pathogenic mechanism of loss of survival motor neuron (SMN) 1 protein expression due to homozygous deletions or other mutations of theSMN1gene, with the different phenotypes influenced by variable copy numbers of theSMN2gene. Advances in supportive care, disease modifying treatment and novel gene therapies have led to an increase in the prevalence of SMA, with a third of SMA patients now represented by adults. Despite the growing number of adult patients, consensus on the management of SMA has focused primarily on the pediatric population. As the disease burden is vastly different in adult SMA, an approach to treatment must be tailored to their unique needs. This review will focus on the management of the adult SMA patient as they age and will discuss proper transition of care from a pediatric to adult center, including the need for continued monitoring for osteoporosis, scoliosis, malnutrition, and declining mobility and functioning. As in the pediatric population, multidisciplinary care remains the best approach to the management of adult SMA. Novel and emerging therapies such as nusinersen and risdiplam provide hope for these patients, though these medications are of uncertain efficacy in this population and require additional study.
Validation of myasthenia gravis diagnosis in the older Medicare population
Authors: Lee Ikjae , Schold Jesse D. , Hehir Michael K. , Claytor Benjamin , Silvestri Nicholas , Li Yuebing
Published: February 2022

Introduction/Aims

Administrative health data has been increasingly used to study the epidemiology of myasthenia gravis (MG) but a case ascertainment algorithm is lacking. We aimed to develop a valid algorithm for identifying MG patients in the older population with Medicare coverage.

Methods

Local older patients (age ≥65) who received healthcare at the Cleveland Clinic and possessed Medicare coverage in 2014 and 2015 were selected. Potential MG patients were identified by using a combination of ICD9 or ICD10 codes for MG and MG‐related text‐word search. Diagnosis was categorized as “definite MG”, “possible MG” or “non‐MG” after review of clinical summaries by 5 neuromuscular specialists. Performances of various algorithms were tested by use of the definite MG cohort as a reference standard, and calculation of sensitivity, specificity, and predictive values.

Results

A total of 118 988 local older patients with Medicare coverage were identified. Usage of MG ICD codes and text‐word search resulted in 125 patients with definite and 67 with possible MG. A total of 45 algorithms involving ICD usage, medication prescription, and specialty visit were tested. The best performing algorithm was identified as 2 office visits using MG ICD codes separated by at least 4 weeks or 1 hospital discharge and 1 office visit each using MG ICD codes separated by at least 4 weeks within the two‐year period, resulting in a sensitivity and positive predictive value of 80% for identifying definite MG patients.

Discussion

Algorithms using ICD codes can reliably identify patients with MG with a high degree of accuracy.
Truck and drone routing problem with synchronization on arcs
Authors: Li Hongqi , Chen Jun , Wang Feilong , Zhao Yibin
Published: February 2022

Truck–drone technology that enables drones to launch from or land on a moving truck without the need for the truck to stop is the focus of this study. We define the truck and drone routing problem with synchronization on arcs (TDRP‐SA). The TDRP‐SA is characterized by synchronization on arcs, time windows, classified customers, direct delivery, multiple trucks, and multiple drones carried by each truck. The TDRP‐SA involves synchronization on arcs to permit trucks to dispatch and retrieve drones at suitable moving‐LRLs (drone launch/retrieval locations) on arcs of truck routes. A moving‐LRL is essentially a drone launch/retrieval location with a moving truck, and the drone launch/retrieval operations do not need special parking for the trucks. We develop a mixed integer nonlinear programming model to address the TDRP‐SA. We propose a mathematical analysis method to locate moving‐LRLs and to estimate the drone's arrival time at the customers. We develop boundary models through introducing linear piecewise functions to locate moving‐LRLs. We provide an adaptive large neighborhood search (ALNS) heuristic. Through computational experiments, the effectiveness of the boundary models, the TDRP‐SA model and ALNS‐based heuristic are evaluated.
Path Integral Molecular Dynamics of Liquid Water in a Mean‐Field Particle Reservoir
Authors: Evangelakis Antonios , Panahian Jand Sara , Delle Site Luigi
Published: February 2022

We present a simulation scheme for path integral simulation of molecular liquids where a small open region is embedded in a large reservoir of non interacting point‐particles. The scheme is based on the latest development of the adaptive resolution technique AdResS and allows for the space‐dependent change of molecular resolution from a path integral representation with 120 degrees of freedom to a point particle that does not interact with other molecules and vice versa. The method is applied to liquid water and implies a sizable gain regarding the request of computational resources compared to full path integral simulations. Given the role of water as universal solvent with a specific hydrogen bonding network, the path integral treatment of water molecules is important to describe the quantum effects of hydrogen atoms’ delocalization in space on the hydrogen bonding network. The method presented here implies feasible computational efforts compared to full path integral simulations of liquid water which, on large scales, are often prohibitive.
Formal Total Synthesis of Salvinorin A
Authors: Halang Marc , Maier Martin E.
Published: February 2022

The generation of the quaternary stereocenter at the C9 position of salvinorin A precursors by the Claisen rearrangement was investigated. The required allyl alcohol was prepared from a Wieland‐Miescher ketone using a known γ‐hydroxylation, reduction of the enone double bond, cyanohydrin formation, and elimination, yielding an unsaturated nitrile. A two‐step reduction led to the required allyl alcohol. The subsequent Johnson‐Claisen rearrangement provided a mixture of two diastereomeric 1,4‐unsaturated esters in a ratio of around 2.6 : 1. The major isomer could be converted to a key intermediate of the Hagiwara synthesis of salvinorin A.
Cellular context determines DNA methylation profiles in SWI/SNF‐deficient cancers of the gynecologic tract
Authors: Kommoss Felix KF , Tessier‐Cloutier Basile , Witkowski Leora , Forgo Erna , Koelsche Christian , Köbel Martin , Foulkes William D , Lee Cheng‐Han , Kolin David L , von Deimling Andreas , Howitt Brooke E
Published: February 2022

SWI/SNF (SWItch/Sucrose Non‐Fermentable) complex deficiency has been reported in a wide variety of cancers and is often associated with an undifferentiated phenotype. In the gynecologic tract SWI/SNF‐deficient cancers are diagnostically challenging and little is known about their cellular origins. Here we show that undifferentiated endometrial carcinoma (UDEC), SMARCA4‐deficient uterine sarcoma (SDUS), and ovarian small cell carcinoma, hypercalcemic type (SCCOHT) harbor distinct DNA methylation signatures despite shared morphology and SWI/SNF inactivation. Our results indicate that the cellular context is an important determinant of the epigenetic landscape, even in the setting of core SWI/SNF deficiency, and therefore methylation profiling may represent a useful diagnostic tool in undifferentiated, SWI/SNF‐deficient cancers. Furthermore, applying copy number analyses and group‐wise differential methylation analyses including endometrioid endometrial carcinomas and extracranial malignant rhabdoid tumors, we uncover analogous molecular features in SDUS and SCCOHT in contrast to UDEC. These results suggest that SDUS and SCCOHT represent chromosomally stable SWI/SNF‐deficient cancers of the gynecologic tract, which are within the broader spectrum of malignant rhabdoid tumors. © 2022 The Authors. The Journal of Pathology published by John Wiley & Sons Ltd on behalf of The Pathological Society of Great Britain and Ireland.
Synchronously improved thermal conductivity and mechanical property for polybenzimidazole composites by building the ternary hybrid nanofillers networks
Authors: Mo Rui , Zhu Liuliu , Wu Xinfeng , Guo Wenyao , Min Yulin , Fan Jinchen
Published: February 2022

A unique and highly efficient means to ameliorate the thermal conductivities (TCs) of polymers towards the polymer‐based thermal management materials is by introducing high‐thermal conductivity nanofillers to prepare polymer composites. However, in order to obtain high TC, the large content of a single filler often brings serious dispersibility problems which greatly affect the improvement of the TC. Meantime, in a polymeric matrix, it is difficult for a single nanofiller itself to form the heat conduction path. Herein, in order to overcome the above‐mentioned problems, we introduced highly thermal conductive nanofillers like two‐dimensional (2D) functionalized boron nitride nanoflakes (f‐BNNS), MXene (Ti3C2Tx), and one‐dimensional (1D) silver nanowires (AgNWs) into the polybenzimidazole (PBI) matrix together. It is found that the introduction of high‐aspect‐ratio AgNWs could not only improve the dispersion of nanofillers under high‐loading amounts but also facilitate the formation of heat conduction path with thermally conductive f‐BNNS and Ti3C2Tx. When the total loading amount of MXene, f‐BNNS, and AgNWs was 50.5 wt% (MXene: 25 wt%, f‐BNNS: 25 wt%, AgNWs: 0.5 wt%), the yield and ultimate tensile strengths of the f‐BNNS/MXene/AgNWs/PBI‐50/0.5 composite film reached ~204.8 and ~ 203.6 MPa, respectively. Meantime, the in‐plane and through‐plane TCs of f‐BNNS/MXene/AgNWs/PBI‐50/0.5 composite film also could reach ~31.97 and ~ 2.25 W·m−1 K−1 with increases of ~52.2% and ~ 80% in comparison with those of f‐BNNS/MXene/PBI composites, respectively, having the same contents of f‐BNNS and MXene.
Modeling of the piezoresistive behavior of carbon nanotube/polymer composites during stress relaxation
Authors: Shim Wonbo , Jeon Seung‐Yeol , Yu Woong‐Ryeol
Published: February 2022

The resistance change of carbon nanotube (CNT)/polymer composites during stress relaxation depended strongly on the CNT concentration and aspect ratio. At low concentration, the resistance of the composites increased regardless of aspect ratio of CNTs as relaxation progressed, while the relaxation modulus accordingly decreased. This trend changed with CNT concentration. To investigate the mechanism, a new resistor model was developed based on the number of contacts between CNTs within tunneling distance of each other. Simulations revealed that when the number of contacts between CNTs is insufficient to form multiple conducting pathways, the increased tunneling resistance has more influence on the overall resistance, leading to the increased resistance. Finally, the proposed resistor model was used to qualitatively explain the resistance change of the composites at different CNT concentration and aspect ratios during tensile test, demonstrating its validity.
Validation of diagnostic coding for interstitial lung diseases in an electronic health record system in Hong Kong
Authors: Ye Yisha , Hubbard Richard , Li Gloria Hoi‐Yee , Ho Shun Cheong , Sing Chor Wing , Cheung Ching Lung , Lam David Chi Leung
Published: February 2022

Objective

Large electronic medical record (EMR) databases can facilitate epidemiology research into uncommon diseases such as interstitial lung disease (ILD). Given the rarity and diagnostic difficulty of ILD, the validity of the coding in EMR requires clarification. We aimed to assess the validity of International Classification of Diseases, 9th Revision (ICD‐9) code algorithms for identifying ILD in the territory‐wide electronic medical health record system of Clinical Data Analysis and Reporting System (CDARS) in Hong Kong.

Method

Patients who visited the Queen Mary Hospital in 2005–2018 with ILD were identified using the following ICD‐9 codes: post‐inflammatory pulmonary fibrosis (PPF; ICD‐9: 515), idiopathic fibrosing alveolitis (IFA; ICD‐9: 516.3), connective tissue disease‐associated interstitial lung disease (CTD‐ILD; ICD‐9: 517.2, 517.8, 714.81), sarcoidosis (ICD‐9: 135) and extrinsic allergic alveolitis (EAA; ICD‐9: 495). A random selection was conducted in cases with diagnostic code of PPF and IFA, where a relative higher case number was identified. All the cases of CTD‐ILD, sarcoidosis and EAA were included in validation for relatively small case number.

Results

Two hundred and sixty nine cases were validated using medical record review by a respiratory specialist. The overall positive predictive value (PPV) was 79% (95% CI, 74%–84%). In subgroup analysis, true positive case numbers of PPF, IFA, CTD‐ILD, sarcoidosis and EAA were 74/100 (74%), 95/100 (95%), 11/15 (73%), 27/32 (84%) and 6/22 (27%), respectively.

Conclusions

This was the first ICD‐9 coding validation for ILD in Hong Kong CDARS. Our study demonstrated that using ICD‐9 algorithms 515, 516.3, 517.2, 517.8, 714.81 and 135 enhanced identifications of ILDs with PPV that was reliable to support utility of CDARS database for further clinical research on ILDs. The validity is particularly high with 516.3.
Anomalous Optically Induced Nonvolatile Magnetization Effect in Mn3O4 Superparamagnetic Nanoparticles
Authors: Zhang Yin , Yao Kangkang , Li Jianing , Cao Kaiyan , Wang Fang , Tian Fanghua , Zhou Chao , Song Xiaoping , Yang Sen
Published: February 2022

Compared to the normal memory effect observed in interacting magnetic nanoparticles, here, an anomalous photo‐induced magnetization in Mn3O4 superparamagnetic nanoparticles is reported. When the nanoparticles are frozen below blocking temperature, the incident light can create a “melting” of the frozen spins on Mn3O4, leading to a nonvolatile memory effect in magnetization. In addition, the photo‐induced magnetization will change to another on/off response as the temperature rise above blocking temperature. Most interestingly, it is found that the immediate change of magnetization when removing off the light is closely related to the phase transition of Mn3O4. The nonvolatile magnetization effect triggered by the significant photo‐magnetism coupling is promising for searching next‐generation optical‐based devices.
Searching for a mechanistic description of pairwise epistasis in protein systems
Authors: Barnes Jonathan E. , Miller Craig R. , Ytreberg Frederick Marty
Published: February 2022

When two or more amino acid mutations occur in protein systems, they can interact in a nonadditive fashion termed epistasis. One way to quantify epistasis between mutation pairs in protein systems is by using free energy differences: ϵ = ΔΔG1,2 − (ΔΔG1 + ΔΔG2) where ΔΔG refers to the change in the Gibbs free energy, subscripts 1 and 2 refer to single mutations in arbitrary order and 1,2 refers to the double mutant. In this study, we explore possible biophysical mechanisms that drive pairwise epistasis in both protein–protein binding affinity and protein folding stability. Using the largest available datasets containing experimental protein structures and free energy data, we derived statistical models for both binding and folding epistasis (ϵ) with similar explanatory power (R2) of .299 and .258, respectively. These models contain terms and interactions that are consistent with intuition. For example, increasing the Cartesian separation between mutation sites leads to a decrease in observed epistasis for both folding and binding. Our results provide insight into factors that contribute to pairwise epistasis in protein systems and their importance in explaining epistasis. However, the low explanatory power indicates that more study is needed to fully understand this phenomenon.
Investigation of the Defect Distribution of Laser Contact Opening Applied to Poly‐Si/SiNxStacks
Authors: Steinhauser Bernd , Arya Varun , Jakob Leonie , Heinz Friedemann D. , Schmiga Christian , Grübel Benjamin , Brand Andreas A. , Kluska Sven , Nekarda Jan F.
Published: February 2022

Herein, an analysis on the impact of laser contact opening of TOPCon/SiNxstacks is presented. By etching in tetramethylammonium hydroxide (TMAH), the defect distribution in the interfacial tunnel oxide is accessed and analyzed. The defect density is significantly increased in areas where adjacent laser contact openings (LCO) overlap. Using microscopic photoluminescence (μ‐PL) spectroscopy, it is verified that correlates with an increase in the local recombination rate and thus an increase in theJ0,Met. Therefore, overlapping LCO of SiNxin TOPCon/SiNxstacks should be avoided as much as possible. Furthermore, the investigations indicate that defects in the interfacial oxide are dominantly created along exposed structures like tips and edges of (etched‐back) pyramids. A comparison of TOPCon/SiNx stacks with a variation of TOPCon thicknesses indicate that etch pits, and thus the defect density, related to LCO become more significant at lower thicknesses.
Detecting Magnetic Permeability and Electrical Conductivity Fluctuations in Metallic Ferromagnetic Sheets through the Shielding Effect
Authors: Hernando Antonio , Giacomone Fernando , Viñolas Jordi , García Miguel Angel , Galvez Fernando , Castellanos Alberto , de Hoyos Alfonso , Cerracín Andres
Published: February 2022

In this report, a method is proposed for determining the fluctuations of physical and structural properties in metallic ferromagnetic samples by magnetic scanning. The method is based on the shielding of a circular loop electromagnetic field source using a ferromagnetic and metallic sheet. The shielding of the electromagnetic field depends on the field frequency and amplitude as well as the electrical conductivity and magnetic permeability of the sheet. The proposed method does not require winding around the sheet. The experimental AC shielding results are reported.
Mixtures of Silver Nanowires and Nanocellulose Nanowires for Green Chemistry Quasi‐1D Transparent Electrodes
Authors: Martínez-Miranda Luz Josefina , Jang Soo-Hwan
Published: February 2022

Silver nanowires (AgNW) mixed with nanocellulose nanowires (NCNW) are deposited in photolithgraphed gratings of varying depth. The nanocellulose onto which the AgNWs are mixed is of varying length. It is found that the recirculation flow is larger when the length of the NCNW is longer, and the grating used is deeper. The electrical properties of the resulting quasi‐1D electrode is tested both before it is transferred into the nanocellulose paper and after, and it is observed that it retains the same order of magnitude for the conductivities as the 0.3 and 0.2%wt concentrations for the bare AgNW. This is attributed to the use of the NCNW, at high concentrations. Using the NCNW in the mixtures allows for the AgNW to be transferred from the gratings to any substrate. Using the NC paper allows to obtain a nearly transparent or translucent nearly 1D electrode, where 1D refers to the fact the length of the obtained electrode far exceeds its width.
Phonon Wave Packet Emission during State Preparation of a Semiconductor Quantum Dot using Different Schemes
Authors: Bracht Thomas K. , Seidelmann Tim , Kuhn Tilmann , Axt Vollrath Martin , Reiter Doris E.
Published: February 2022

The carrier–phonon interaction in semiconductor quantum dots (QDs) can greatly affect the optical preparation of the excited state. For resonant excitation used in the Rabi preparation scheme, the polaron is formed accompanied by the emission of a phonon wave packet, leading to a degradation of preparation fidelity. In this article, phonon wave packets for different coherent excitation schemes are analyzed. One example is the adiabatic rapid passage scheme relying on a chirped excitation. Herein, also a phonon wave packet is emitted, but the preparation fidelity can still be approximately unity. A focus is on the phonon impact on a recently proposed swing‐up scheme, induced by two detuned pulses. Similar to the Rabi scheme, a degradation and a phonon wave packet emission are found, despite the detuning. If the swing‐up frequency coincides with the maximum of the phonon spectral density, a series of wave packets is emitted yielding an even stronger degradation. The insight gained from our results further helps in designing an optimal preparation scheme for QDs.
Investigation of Topological and Catalytic Properties of Gold Iodide Monolayer: A Density Functional Theory Study
Authors: Sattigeri Raghottam M. , Dhori Bhautik R. , Som Narayan N. , Jha Prafulla K. , Kurzydłowski Dominik
Published: February 2022

Insulating bulk and conducting edge states makes 2D topological insulators (TI) a candidate quantum material with varied applications. 2D binary monolayers composed of group‐11 transition metals and halides with puckered structures have been recently explored for their photocatalytic and quantum cutting properties. However, such binary systems have not yet been explored for their topological properties. Herein, the topological and catalytic properties of one such binary compound, gold iodide (AuI) which belongs to P6
3/mmc [194] space group governed by a honeycomb lattice structure is explored. The nontrivial TI nature exists in a narrow window of strain from −2% to 4%. Within this region, by employing strain engineering technique the bandgap can be tuned to as high as 0.113 eV. The nontrivial character is further investigated by calculating the invariant, robust edge state spectra and slab band structures. The Gibbs free energy towards hydrogen evolution reaction is computed to assess the catalytic property of AuI. The Gibbs free energy was found to be −0.40 eV with Volmer–Heyrovsky as the preferred reaction mechanism. With this study, it is proposed AuI monolayer as a candidate material for prospective applications in the field of nanoelectronics and catalysis.
Some tools to predict failure probability on products recently launched on the market: A mobile phone case study
Authors: Laos José Arturo Montoya , Jiménez‐Hernández José del Carmen
Published: February 2022

Prediction about the failure probability of a product or system is essential in reliability engineering, where a decision‐making process is carried out on a regular basis. This paper proposes a novel index, that allows to predict the failure rate on products recently launched into the market; its calculation is based on sales information and failure reports. Maximum likelihood method is used to derive a mathematical expression for this index, and prediction intervals are obtained throughout a bootstrap approach. A good performance regarding the mean square error and coverage probability is observed in the simulation study included here. Monthly sales data and mobile phone failure reports, provided by the company in charge of the warranty policy process, were used to illustrate our proposal that emerged from an academic‐industry collaboration.
Temperature‐dependent electronic properties for 4f states in cerium mononitride
Authors: Li Ru‐song , Zhou Xiao‐hua , Xie Zheng , Kong Ling‐yun , Wang Deng‐wu , Wang Yang
Published: February 2022

In order to elucidate the temperature‐dependent occupancy number of Ce 4f electrons and valence state of Ce ions in cerium mononitride (CeN), we perform an ab initio calculation by using a many‐body scheme combing density functional theory with dynamical mean field theory, taking into account the spin‐orbit coupling (SOC) interaction and on‐site Coulomb repulsion between Ce 4f electrons. Results demonstrate that Ce 4f j = 5/2 and j = 7/2 manifolds undergo insulating‐metallic transition with increasing of temperature. Ce 4f‐conduction electrons hybridization, f‐f correlation, SOC interaction and final state effects yield a complicated spectrum function in CeN. Ce 4f atomic configuration transition and hybridization might be responsible for the temperature‐dependent occupancy number of Ce 4f electrons and the mixed‐valence state in CeN. A fact that localization of Ce 4f electrons, that is, 4f1 configuration or Ce3+ valence, increases with increasing of temperature could account for the experimentally observed lattice constant versus temperature data. Finally, the so‐called quasiparticle band structure is also discussed for comparison with experimental angle‐resolved photoemission spectrum.