bluuebunny/crossref_metadata_2025_split huggingface dataset:
Evaluation of prediction and classification performances in different machine learning models for patient‐specific quality assurance of head‐and‐neck VMAT plans
Authors: Kusunoki Terufumi , Hatanaka Shogo , Hariu Masatsugu , Kusano Yohsuke , Yoshida Daisaku , Katoh Hiroyuki , Shimbo Munefumi , Takahashi Takeo 
Published: December 2021

AbstractPurposeThe purpose of this study is to evaluate the prediction and classification performances of the gamma passing rate (GPR) for different machine learning models and to select the best model for achieving machine learning‐based patient‐specific quality assurance (PSQA).MethodsThe measurement verification of 356 head‐and‐neck volumetric modulated arc therapy plans was performed using a diode array phantom (Delta4 Phantom), and GPR values at 2%/2 mm with global normalization and 3%/2 mm with local normalization were calculated. Machine learning models, including ridge regression (RIDGE), random forest (RF), support vector regression (SVR), and stacked generalization (STACKING), were used to predict the GPR. Each machine learning model was trained using 260 plans, and the prediction accuracy was evaluated using the remaining 96 plans. The prediction error between the measured and predicted GPR was evaluated. For the classification evaluation, the lower control limit for the measured GPR and lower control limit for predicted GPR (LCLp) was defined to identify whether the GPR values represent a “pass” or a “fail.” LCLp values with 99% and 99.9% confidence levels were calculated as the upper prediction limits for the GPR estimated from the linear regression between the measured and predicted GPR.ResultsThere was an overestimation trend of the low measured GPR. The maximum prediction errors for RIDGE, RF, SVR, and STACKING were 3.2%, 2.9%, 2.3%, and 2.2% at the global 2%/2 mm and 6.3%, 6.6%, 6.1%, and 5.5% at the local 3%/2 mm, respectively. In the global 2%/2 mm, the sensitivity was 100% for all the machine learning models except RIDGE when using 99% LCLp. The specificity was 76.1% for RIDGE, RF, and SVR and 66.3% for STACKING; however, the specificity decreased dramatically when 99.9% LCLp was used. In the local 3%/2 mm, however, only STACKING showed 100% sensitivity when using 99% LCLp. The decrease in the specificity using 99.9% LCLp was smaller than that in the global 2%/2 mm, and the specificity for RIDGE, RF, SVR, and STACKING was 61.3%, 61.3%, 72.0%, and 66.8%, respectively.ConclusionsSTACKING had better prediction accuracy for low GPR values than other machine learning models. Applying LCLp to a regression model enabled the consistent evaluation of quantitative and qualitative GPR predictions. Adjusting the confidence level of the LCLp helped improve the balance between the sensitivity and specificity. We suggest that STACKING can assist the safe and efficient operation of PSQA.
Privacy Preserving distributed smart grid system based on Hyperledger Fabric and Wireguard
Authors: Yao Shixiong , Tian Xingjian , Chen Jiageng , Xiong Yi 
Published: December 2021

SummarySmart grid has drawn a lot of attention and investment in recent years, which not only helps the modern generation and distribution of traditional power but also highly widens the application of renewable energy sources. However, the main challenges in the application of smart grid are 1. the privacy preservation of users' information and 2. the trustful transmission channel among peers. In order to solve these problems, VPN and blockchain can be considered since they have some features perfectly suitable for these situations. In this paper, we propose a smart grid system based on WireGuard and Hyperledger Fabric to solve the problems mentioned above. And we also implement the whole system and give a view by web application. What's more, all the functionalities are displayed and tested, including building a smart device simulator, deploying data visualization and making some performance evaluations about transactions and WireGuard communication. Experiment results show that the introduction of WireGuard into network infrastructure does not cause too much loss of bandwidth and delay, but it ensures a certain degree of communication security. And Fabric provides the consistency and traceability of transactions in smart grid system.
Barriers to building wildlife‐inclusive cities: Insights from the deliberations of urban ecologists, urban planners and landscape designers
Authors: Kay Cria A. M. , Rohnke Adam T. , Sander Heather A. , Stankowich Theodore , Fidino Mason , Murray Maureen H. , Lewis Jesse S. , Taves Ilanah , Lehrer Elizabeth W. , Zellmer Amanda J. , Schell Christopher J. , Magle Seth B. 
Published: December 2021

Abstract

Cities are seen as quintessentially human; however, because they can offer viable habitat to many plants, animals and other forms of life, cities are also dynamic ecosystems.

As urban areas expand to house more of the global human population and reduce natural habitat for wildlife, the need for wildlife‐inclusive urban planning and design becomes increasingly pressing.

The 2019 Urban Wildlife Information Network Summit responded to this need by connecting a group of 80 scientists, urban planners and designers to examine the role of cities in combating the global biodiversity crisis.

The Summit focused on identifying and addressing barriers to transdisciplinary work between these communities, such as disciplinary silos, varying incentive structures, funding, differences in spatio‐temporal scale, existing infrastructure and values and bias.

We explore the challenges to network building for wildlife‐inclusive design and planning revealed by the Summit and offer potential solutions for overcoming these obstacles for more effective collaboration around wildlife‐inclusive cities.

A free Plain Language Summary can be found within the Supporting Information of this article.
Optimal designs of constant‐stress accelerated life‐tests for one‐shot devices with model misspecification analysis
Authors: Balakrishnan Narayanaswamy , Castilla Elena , Ling Man Ho 
Published: December 2021

AbstractThe design of constant‐stress accelerated life‐test (CSALT) is important in reliability estimation. In reliability studies, practitioners usually rely on underlying distribution to design CSALTs. However, model misspecification analysis of optimal designs has not been examined extensively. This paper considers one‐shot device testing data by assuming gamma, Weibull, lognormal and Birnbaum–Saunders (BS) lifetime distributions, which are popular lifetime distributions in reliability studies. We then investigate the effect of model misspecification between these lifetime distributions in the design of optimal CSALTs, in which the asymptotic variance of the estimate of reliability of the device at a specific mission time is minimized subject to a prefixed budget and a termination time of the life‐test. The inspection frequency, number of inspections at each stress level, and allocation of the test devices are determined in optimal design for one‐shot device testing. Finally, a numerical example involving a grease‐based magnetorheological fluids (G‐MRF) data set is used to illustrate the developed methods. Results suggest the assumption of lifetime distribution as Weibull or lognormal to be more robust to model misspecification, while the assumption of gamma lifetime distribution seems to be the most non‐robust (or most sensitive) one.
Computation of entropy measures for phthalocyanines and porphyrins dendrimers
Authors: Manzoor Shazia , Siddiqui Muhammad Kamran , Ahmad Sarfraz 
Published: December 2021

AbstractDendrimer designs include three distinct parts: a focal point, an interior construction with repetitive branches, and an exterior design with practical gatherings. Dendrimers are a class of polymeric materials. They are fabricated three dimensional, mano‐disperse structure having tree like branches. Dendrimers are also called arborols and cascade. Because of their outstanding physical and chemical properties, as well as a wide range of intriguing applications in numerous fields, dendrimers hold a prominent role in research. Also, a considerable spectrum of topological indices is accessible, among which bond‐additive and distance‐based indices are generally purposed in QSPR/QSAR studies. These indices indicate different structural properties. In this study we compute the Mostar, Padmakar–Ivan (PI), and Szeged indices for the molecular graphs of two kinds of dendrimers accepting phthalocyanines and porphyrins as their cores. Moreover, we computed the entropies of these structures by developing a connection between these indices and their entropies.
Handwriting identification using random forests and score‐based likelihood ratios
Authors: Johnson Madeline Quinn , Ommen Danica M. 
Published: December 2021

AbstractHandwriting analysis is conducted by forensic document examiners who are able to visually recognize characteristics of writing to evaluate the evidence of writership. Recently, there have been incentives to investigate how to quantify the similarity between two written documents to support the conclusions drawn by experts. We use an automatic algorithm within the “handwriter” package in R, to decompose a handwritten sample into small graphical units of writing. These graphs are sorted into 40 exemplar groups or clusters. We hypothesize that the frequency with which a person contributes graphs to each cluster is characteristic of their handwriting. Given two questioned handwritten documents, we can then use the vectors of cluster frequencies to quantify the similarity between the two documents. We extract features from the difference between the vectors and combine them using a random forest. The output from the random forest is used as the similarity score to compare documents. We estimate the distributions of the similarity scores computed from multiple pairs of documents known to have been written by the same and by different persons, and use these estimated densities to obtain score‐based likelihood ratios (SLRs) that rely on different assumptions. We find that the SLRs are able to indicate whether the similarity observed between two documents is more or less likely depending on writership.
Identification of Anti‐Cancer Agents Targeting Aldo‐Keto Reductase (AKR) 1C3 Protein by Pharmacophore Modeling, Virtual Screening and Molecular Docking
Authors: Khalilullah Habibullah 
Published: December 2021

AbstractAldo‐ketoreductase 1C3 (AKR1C3) is an attractive target for prostate cancer drug discovery. Three pharmacophore models were generated from three AKR1C3 PDB crystal structures based on their crystal ligand molecules. The three pharmacophores generated from three different AKR1C3 were with 10 features, 5 features and 6 features. Pharmacophore based database screening on Pubchem, CHEMBL, Zinc and MCULE databases were performed to get overall 847 molecules and docked into the active sites of three AKR1C3 protein crystal structures. From the orientation and the docking scores, ten well fitted molecules were selected for the ADMET predictions. From the ADME toxicity studies, three molecules violating the toxicity rules and the three structures were identified from one pharmacophore. The other seven molecules identified from other two pharmacophore models were showing better values that drug like molecules. A 100 nano seconds of the simulations for best six protein ligand complexes revealed the stability of the molecules in the active site of protein. The NADPH co‐crystal in the crystal structure is guiding the inhibitor molecule in the active site of the protein.
Total Synthesis of Nocardiotide A by Using a Combination of Solid‐ and Solution‐Phase Methods
Authors: Muhajir Muhamad Imam , Hardianto Ari , Al‐Anshori Jamaludin , Sumiarsa Dadan , Mayanti Tri , Nurlelasari  , Harneti Desi , Hidayat Ace Tatang , Supratman Unang , Maharani Rani 
Published: December 2021

AbstractNocardiotide A has been successfully synthesized using a combination of solid‐ and solution‐phase synthesis. Peptides 1 and 2 of nocardiotide A, with different C and N termini, were synthesized on 2‐chlorotrityl chloride resin. A combination of N,N,N′,N′‐tetramethyl‐O‐(1H‐benzotriazol‐1‐yl)uronium hexafluorophosphate and hydroxybenzotriazole (HBTU/HOBt) was employed as coupling reagent and the release of the linear peptides from the resin was undertaken using AcOH and trifluoroethanol (TFE) reagents resulting in linear hexapeptides with protected side chains in good yields (83.4 % and 76 %, respectively). Peptide 1, which has Ala as C terminus and Trp as N terminus, was the only peptide that was successfully cyclized without epimerization under a dilute condition (1.25×10−3 M) using HBTU (3 equiv.) and 1 % N,N‐diisopropylethylamine (DIPEA) in dichloromethane. A combination of a small residue at the C terminus and a larger residue at the N terminus was found to be effective for the cyclization. The protecting group of the crude cyclic product was then deprotected by 95 % TFA in water and the crude was then purified to give white solid product with 16 % overall yield. The peptide was then characterized by HR‐ToFMS, 1H‐ and 13C‐NMR spectroscopy. In order to ensure the absence of epimerization during cyclization, the D‐analogue of nocardiotide A was synthesized using similar synthetic protocol. The NMR data of D‐analogue was found to have a larger difference compared to the synthetic and natural product, showing there is no epimerization at C‐terminus during cyclization.
Design, Synthesis, Molecular Docking Studies of Deferasirox Derivatives of 1,2,4‐Triazole as Potential Antimicrobial Agents
Authors: Hu Yiping , Jiao Shulin , Wang Yanyan , Chen Ruicheng , Li Gen , Zou Zhihong 
Published: December 2021

AbstractA series of deferasirox derivatives of 1,2,4‐triazole (5 a–i,6 a–g) were designed and synthesized by the ring‐opening rearrangement reaction of phenyl hydrazine or its substituents and imines, compounds 5 d–i, 6 e–g are previously unknown. Obtained derivatives were characterized by IR, 1H NMR, 13C NMR, and Mass spectral. The antibacterial activities of all compounds against Staphylococcus aureus, Staphylococcus epidermidis, Escherichia coli, Candida albicans and Aspergillus niger were experimentally evaluated. Most of them exhibited potential antimicrobial activity and promising antifungal activity. Especially, 6 f and 6 g showed the best antimicrobial activity (MIC90=0.125–2.0 μg/mL) against Staphylococcus aureus, Staphylococcus epidermidis and Escherichia coli, while compounds 6 c, 6 e showed excellent antifungal activity (MIC90=0.5–2.0 μg/mL). The molecular docking analysis further revealed that all the synthesized derivatives have shown potential binding affinities.
Estimated fetal weight at mid‐gestation in prediction of pre‐eclampsia in singleton pregnancy
Authors: Frei L. , Wright A. , Syngelaki A. , Akolekar R. , Nicolaides K. H. 
Published: December 2021

ABSTRACTObjectiveTo examine the distribution of birth weight according to gestational age in pregnancies complicated by pre‐eclampsia (PE) and assess the potential value of sonographic estimated fetal weight (EFW) at mid‐gestation as a predictor of PE.MethodsThe data for this study were derived from prospective screening for adverse obstetric outcome in 93 911 women with a singleton pregnancy attending for routine pregnancy care at 19 + 0 to 24 + 6 weeks' gestation in two UK maternity hospitals. This visit included recording of maternal demographic characteristics and medical history, sonographic EFW and measurement of mean arterial pressure (MAP) and uterine artery pulsatility index (UtA‐PI). The distribution of birth weight of pregnancies with and those without PE was assessed. The competing‐risks model was used to estimate the individual, patient‐specific risk of delivery with PE at < 32 and < 37 weeks' gestation and at any gestational age. The areas under the receiver‐operating‐characteristics curves and detection rates (DRs) of delivery with PE, at a 10% false‐positive rate (FPR), were assessed for various combinations of maternal risk factors, EFW, MAP and UtA‐PI. McNemar's test was used to determine the significance of difference in DR at a 10% FPR between screening with vs without EFW.ResultsThe study population contained 2843 (3.0%) pregnancies that subsequently developed PE, including 148 (0.2%) that delivered with PE at < 32 weeks' gestation and 654 (0.7%) that delivered with PE at < 37 weeks. Birth weight was < 10th percentile in 82% of pregnancies with PE delivering at < 32 weeks' gestation and this decreased to 21% of those with PE delivering at ≥ 37 weeks. In screening for delivery with PE at < 32 and < 37 weeks' gestation, the DR, at a 10% FPR, achieved by maternal risk factors (51% and 46%, respectively) was improved by addition of EFW (69% and 51%, respectively). Similarly, addition of EFW improved the performance of screening by a combination of maternal risk factors and MAP from 72% to 80% for PE < 32 weeks and from 57% to 60% for PE < 37 weeks. EFW did not improve the predictive performance of screening by a combination of maternal risk factors, MAP and UtA‐PI.ConclusionsIn pregnancies complicated by preterm PE, a high proportion of neonates are small‐for‐gestational age, and sonographic EFW at mid‐gestation can improve the prediction of early and preterm PE provided by maternal risk factors and MAP but not the prediction provided by a combination of maternal risk factors, MAP and UtA‐PI. © 2021 International Society of Ultrasound in Obstetrics and Gynecology.
Current distribution of selected canine vector‐borne diseases in domestic dogs from Barranquilla and Puerto Colombia, Atlántico, Colombia
Authors: Otalora Óscar , Couto Guillermo , Benavides Julio , Mucha Carlos , Morchón Rodrigo 
Published: December 2021

AbstractBackgroundClimate change, the increase of travel with infected animals from endemic areas, the introduction of new vectors in these areas and environmental changes caused by human activity, among other factors, have contributed to the establishment and increase of canine vector‐borne diseases (CVBDs), several of which are zoonotic and pose a risk to the human population. In Colombia, there are very few studies that address the prevalence of these diseases. The objective of this study was to update the prevalence of cardiopulmonary dirofilariosis, anaplasmosis, ehrlichiosis and Lyme borreliosis in dogs in Barranquilla and Puerto Colombia, areas of northern Colombia.Materials and methodsThe present study included 354 dogs presented to veterinary clinics for routine health examination and foundations for stray dogs between November 2016 and July 2018.ResultsThe percentage of dogs positive for Ehrlichia spp. was 61.86%, followed by 22.03% for Anaplasma spp., 11.30% positive for Dirofilaria immitis antigens and 0.56% positive for Borrelia burgdorferi. In addition, several dogs positive for antibodies against two or more infectious diseases were found. Higher seroprevalences were documented in outdoor dogs compared to indoor‐housed dogs.ConclusionThese results suggest that veterinarians should routinely implement prophylactic programmes for these CVBDs, particularly for dogs that reside outdoors.
Effectiveness of ozonation with zirconium and tin tetrachloride for stabilized anaerobic landfill leachate treatment
Authors: Zakaria Siti Nor Farhana , Aziz Hamidi Abdul , Alazaiza Motasem Y. D. 
Published: December 2021

AbstractLandfill leachate can threaten the environment and human life. Therefore, this study aims to investigate the efficiency of ozone (O3), O3 with zirconium tetrachloride (O3/ZrCl4), and O3 with tin tetrachloride (O3/SnCl4) in remediating the stabilized anaerobic landfill leachate (SAL) from Alor Pongsu, Perak. Hydroxyl radical (OH•) is an important oxidizing agent in the ozonation process. Its presence was tested using tert‐butyl alcohol. Results showed that using ZrCl4 and SnCl4 in ozonation boosted the generation of hydroxyl radical, thereby enhancing the oxidation process and pollutant removal inside the sample. The O3/ZrCl4 mix at chemical oxygen demand (COD) to ZrCl4 ratio of 1:1.5, pH 8–9, and 90‐min reaction time resulted in the highest reduction rates of COD and color at 91.9% and 99.6%, respectively. All results demonstrated that the optimum performance occurred at alkaline conditions (pH > 8), proving that OH radicals primarily oxidized the pollutants through an indirect reaction pathway. The biodegradability (biochemical oxygen demand/COD) ratio was also considerably improved from 0.02 (raw) to 0.37 using O3/ZrCl4, compared with using O3 alone and using O3/SnCl4, which only recorded 0.23 and 0.28, respectively, after the treatment. The study demonstrated that O3/ZrCl4 was the most efficient combination.Practitioner Points

The O3/ZrCl4 recorded the highest COD and color removals.
The O3/ZrCl4 combination also recorded higher OH• concentrations.
The biodegradability of leachate (BOD5/COD ratio) improved from 0.02 to 0.37.
The “guiding” principles of noncoding RNA function
Authors: Deogharia Manisha , Gurha Priyatansh 
Published: December 2021

AbstractThe human genome is pervasively transcribed and yet only a small fraction of these RNAs (less than 2%) are known to code for proteins. The vast majority of the RNAs are classified as noncoding RNAs (ncRNAs) and are further subgrouped as small (shorter than 200 bases) and long noncoding RNAs. The ncRNAs have been identified in all three domains of life and regulate diverse cellular processes through transcriptional and posttranscriptional gene regulation. Most of these RNAs work in conjunction with proteins forming a wide array of base pairing interactions. The determinants of these base pairing interactions are now becoming more evident and show striking similarities among the diverse group of ncRNAs. Here we present a mechanistic overview of pairing between RNA–RNA or RNA–DNA that dictates the function of ncRNAs; we provide examples to illustrate that ncRNAs work through shared evolutionary mechanisms that encompasses a guide–target interaction, involving not only classical Watson–Crick but also noncanonical Wobble and Hoogsteen base pairing. We also highlight the similarities in target selection, proofreading, and the ruler mechanism of ncRNA–protein complexes that confers target specificity and target site selection.This article is categorized under:
Regulatory RNAs/RNAi/Riboswitches > Regulatory RNAs
RNA‐Based Catalysis > RNA‐Mediated Cleavage
RNA Evolution and Genomics > RNA and Ribonucleoprotein Evolution
Mobilities: Physical and Social
Authors: Sweet Ryan 
Published: December 2021

AbstractThis chapter focuses on the influence of prosthesis use on social mobility, challenging predominant utopian views regarding nineteenth-century prosthetics. It exposes the social restrictions underpinning prosthesis use, while showing how several writers challenged the status quo. Centring on a case study of Charles Dickens’s portrayal of the villainous wooden-leg user Silas Wegg inOur Mutual Friend(1864–1865), the chapter identifies how Dickens drew from anxieties surrounding the social position of amputees by presenting a wooden-leg user as a transgressive social climber. The chapter places Dickens’s representation of Wegg in context with his other depictions of prosthesis users and those found in his journalsHousehold WordsandAll the Year Round. This chapter argues that stories such as Dickens’s ultimately problematize the logic of prosthesis use.