bluuebunny/crossref_metadata_2025_split huggingface dataset:
Technical note: A method for generating lesion‐specific nonuniform rotational margins for targets remote from isocenter
Authors: Dial Christian , Sarkar Vikren , Nelson Geoff , Paxton Adam , Salter Bill 
Published: October 2022

AbstractPurposeTo present a novel method for generating nonuniform lesion‐specific rotational margins for targets remote from isocenter, as encountered in single isocenter multiple metastasis radiotherapy.MethodsTarget contours are rotated using a large series of 3D rotations, corresponding to a given range of rotational uncertainty, and combined to create a rotational envelope that encompasses potential motion. A set of artificial spherical targets ranging from 0.5 to 2.0 cm in diameter, and residing a distance of 1 – 15 cm from isocenter, is used to generate rotational envelopes assuming uncertainties of 0.5–3.0°. Computing time and number of samples are reported for simulated scenarios. Hausdorff distances (HD) between rotational envelopes and original target structures are calculated to represent the magnitude of uniform expansion required to encompass potential rotation. Volume differences between uniform expansions (based on HD) and rotational envelopes are reported to articulate potential advantages.ResultsMedian time to generate rotational envelopes was 60 s (31–974 s). Median required samples was 86 (61–851). Maximum HD for all targets located 10 cm from isocenter was 1.5 mm, 3.0 mm, 5.8 mm, and 8.6 mm assuming 0.5°, 1.0°, 2.0°, and 3.0° of rotational uncertainty, respectively. At 5 cm from isocenter and assuming 0.5° of rotational uncertainty, volumes were decreased by 0.07 cc (60%), 0.24 cc (39%), and 1.08 cc (19%) for 5 mm, 10 mm, and 20 mm targets respectively. At 10 cm from isocenter and 1.0° of uncertainty, volumes decreased by 0.42 cc (58%), 2.0 cc (40%), and 2.5 cc (27%). On average target volumes decreased 45% (SD = 17%) when compared with uniform expansions based on HD.ConclusionRotational margins may be generated by sampling a set of 3D rotations. Resulting margins explicitly account for target shape, distance from isocenter, and magnitude of rotational uncertainty, while reducing treated volumes when compared with uniform expansions.
Three adaptive hybrid derivative‐free projection methods for constrained monotone nonlinear equations and their applications
Authors: Liu Pengjie , Wu Xiaoyu , Shao Hu , Zhang Yan , Cao Shuhan 
Published: October 2022

AbstractIn this work, by considering the hyperplane projection and hybrid techniques, three scaled three‐term conjugate gradient methods are extended to solve the system of constrained monotone nonlinear equations, and the developed methods have the advantages of low storage and only using function values. The new methods satisfy the sufficient descent condition independent of any line search criterion. It has been proved that three new methods converge globally under some mild conditions. The numerical experiments for constrained monotone nonlinear equations and image de‐blurring problems illustrate that the proposed methods are numerically effective and efficient.
Antiproliferative Activity of (−)‐Isopulegol‐based 1,3‐Oxazine, 1,3‐Thiazine and 2,4‐Diaminopyrimidine Derivatives
Authors: Bamou Fatima Z. , Le Tam M. , Tayeb Bizhar A. , Tahaei Seyyed A. S. , Minorics Renáta , Zupkó István , Szakonyi Zsolt 
Published: October 2022

AbstractA series of novel heterocyclic structures, namely 1,3‐oxazines, 1,3‐thiazines and 2,4‐diaminopyrimidines, were designed and synthesised. The bioassay tests demonstrated that, among these analogues, 2,4‐diaminopyridine derivatives showed significant antiproliferative activity against different human cancer cell lines (A2780, SiHa, HeLa, MCF‐7 and MDA‐MB‐231). Pyrimidines substituted with N2‐(p‐trifluoromethyl)aniline, in particular, displayed a potent inhibitory effect on the growth of cancer cells. Structure–activity relationships were also studied from the aspects of stereochemistry on the aminodiol moiety as well as exploring the effects of substituents on the pyrimidine scaffold.
High strength, anti‐freezing, and conductive poly(vinyl alcohol)/urea ionic hydrogels as soft sensor
Authors: Ye Wenhao , Guo Meiling , Li Qing , Wang Li , Zhao Chuanxia , Xiang Dong , Lai Jingjuan , Li Hui , Li Zhenyu , Wu Yuanpeng 
Published: October 2022

AbstractHydrogel‐based sensors with excellent flexibility and stretchability have received extensive attention. However, fabricating anti‐freezing, high‐strength, and conductive hydrogel‐based sensors remains a significant challenge. A stretchable sensor with high strength and anti‐freezing herein is constructed using poly(vinyl alcohol)/urea (PVA/urea) ionic hydrogels. The PVA/urea ionic hydrogels were prepared by a simple strategy of soaking the freeze–thawed PVA hydrogels in sodium citrate (Na3Cit) water/urea aqueous solutions. The presence of Na3Cit in the hydrogel produces hydrophobic aggregation, endowing the PVA/urea ionic hydrogel with high mechanical properties (~1.51 MPa) and makes the hydrogel have high strain gauge factors (GF = 1.94). The synergistic effect of Na3Cit and urea endows the PVA/urea ionic hydrogel with anti‐freezing properties (~−20°C). The obtained sensors have excellent stability (100 cycles at ε = 85%) and could detect various human activities even at −20°C. More importantly, joint motion can be monitored wirelessly via Bluetooth at −20°C. This work provides a feasible method to construct anti‐freezing, high‐strength, and conductive hydrogel. It paves the way for versatile applications in human‐motion detection, intelligence device, and biomimetic skin.
Leveraging Baird aromaticity for advancement of bioimaging applications
Authors: Martin Maxwell I. , Pati Avik K. , Abeywickrama Chathura S. , Bar Sukanta , Kilic Zeliha , Altman Roger B. , Blanchard Scott C. 
Published: October 2022

AbstractIn this perspective, we highlight the recent progress in utilizing Baird aromatic species to improve fluorophore performance in microscopy and imaging applications. We specifically focus on the origins of the use of Baird aromaticity in fluorescence applications, the development of “self‐healing” fluorophores leveraging cyclooctatetraene’ Baird aromaticity, and where developments need to occur to optimize this technology.
Adaptive aromaticity in osmapentalene and osmapyridinium complexes with carbone ligands
Authors: You Feiying , Qiu Rulin , Zhu Jun 
Published: October 2022

AbstractDiscovery of species with adaptive aromaticity, being aromatic in both the lowest‐lying singlet and triplet states (S0 and T1), is a significant challenge because cyclic conjugated complexes are commonly aromatic in one state only according to Hückel's and Baird's rules. On other hand, the carbone ligands containing two lone pair electrons at the carbon(0) atom have attracted considerable attention from both theoretical and experimental chemists recently. Here, we carry out density functional theory (DFT) calculations on osmapentalene and osmapyridinium complexes with carbone ligands to examine their aromaticity in both the S0 and T1 states. It is found that these complexes can possess adaptive aromaticity, supported by various aromaticity indices including the harmonic oscillator model of aromaticity (HOMA), nucleus‐independent chemical shift (NICS), anisotropy of the induced current density (ACID), electron density of delocalized bonds (EDDB), and the change of heat of hydrogenation (∆∆H). Our findings expand the scope of the concept of adaptive aromaticity, inviting experimental chemists' verification to enrich aromatic organometallic chemistry.
Imperfect repair models: Sequential goodness‐of‐fit testing based on predictive performances
Authors: El‐Aroui Mhamed‐Ali , Gaudoin Olivier 
Published: October 2022

AbstractImperfect repair (IR) modelling has attracted a lot of attention during the last decades. To assess and predict repairable systems' reliability, analysts have to choose among a plethora of models: renewal processes, non‐homogeneous Poisson processes (NHPPs), Brown–Proschan, Kijima, ARA, ARI, Quasi‐Renewal (QR), Trend‐Renewal and so forth. Choosing an appropriate model for a given failures, dataset is an important practical issue. The fit of an IR model can be assessed using goodness‐of‐fit (GoF) tests but very few have been proposed and a good fit to past data does not guarantee good reliability predictions. This work proposes general GoF tests for IR models based on sequential (or on‐line) assessment of times‐to‐failures forecasts. The suggested predictive‐sequential (or prequential) GoF tests have a low computational complexity and a common test statistic for several IR models. These tests have been proved to be asymptotically distribution‐free (ADF) for renewal and power‐law processes (PLPs). Our numerical simulations and preliminary theoretical results highly suggest that this ADF property still holds for several other IR models. The prequential tests are much easier to use than the already known bootstrap tests, and a simulation study shows that they are also slightly more powerful. The simulations also show that the prequential tests are powerful to identify classes of similar appropriate models but are much less powerful to distinguish models belonging to the same class. A comparison of MTTF estimates show that models from the same class give close reliability predictions and that the tests are able to reject models which would yield to dramatic errors in reliability predictions.
Mesoporosity and Acidity Manipulation in ZSM‐23 and theirn‐Hexadecane Hydroisomerization Performance
Authors: Bai Di , Meng Jipeng , Li Chuang , Zhang Mingming , Liang Changhai 
Published: October 2022

AbstractThe enhanced mesoporosity in the networks is expected to offer a potential route to surmount mass‐transport constraints within one‐dimensional microporous structural zeolites. Highly crystalized ZSM‐23 zeolite was synthesized and subsequently post‐treated with alkali‐etching and acid‐etching, the effects of post‐treatments on the physical and chemical properties of the parent zeolite were investigated via XRD, N2physical adsorption, FE‐SEM, TEM,27Al MAS NMR, Py‐IR and NH3‐TPD. The catalytic activity of various Pt supported bifunctional catalysts was investigated vian‐hexadecane hydroisomerization. The post‐treated process not only increased the pore volume as well as the specific surface area, which efficiently improved the diffusion efficiency, but also changed the acidity and acid distribution of zeolite: alkali treatment could increase the content of total Brönsted acid while acid treatment exhibited an opposite trend. Acid treatment effectively promoted the density of weak Brönsted acid sites and suppressed the med‐strong Brönsted acid sites. With the manipulation of acidity and development of mesoporosity in zeolite, the formation of isomers and the suppression of cracked products in then‐hexadecane hydroisomerization were accomplished. The catalytic performance of catalysts showed that acid treatment could effectually promote the formation of isomeric products and inhibit cracking reactions. Especially, Pt/Z(1.0 HN) catalyst with suitable distribution of acid sites and textural properties, exhibited an outstandingn‐C16hydroisomerization performance with the highesti‐C16yield of 64 wt.% at 340 °C.
Engineering Metal Alloy Nanocrystals Anchored on N‐Doped Nanoporous Carbon for Li‐O2 Batteries
Authors: Wang Xiaomin , Qi Pan , Zhang Lihao , Zhao Yajun , Luo Hao , Zhang Dawei 
Published: October 2022

AbstractThe development of highly efficient oxygen catalysts is crucial for improving the storage capacity and stability of Li‐O2 batteries. Herein, we report a simple engineering method to prepare the composite electrocatalyst of the CoNi alloy nanoparticles anchored on the N‐doped porous carbon substrate (CoNi/NC), which exhibits the enhanced electrocatalytic performance for the Li‐O2 batteries due to the synergetic effect between the bimetal CoNi alloy and the N‐doped porous carbon framework. The porous structure can expose more active sites, enhance the mass transfer, and temporarily store the Li2O2 intermediate. The CoNi/NC catalyst makes the batteries show a high discharge capacity of 17783 mA h g−1, a low overvoltage of 1.03 V, and long cycle life of 194 cycles. These results indicate that such a simple engineering preparation method can benefit the large‐scale production of high‐efficiency and cost‐effective electrocatalysts for energy applications.
A Nanoneedle Ni12P5 Array for Hydrogen Evolution Reaction with High Efficiency over a Wide pH Range
Authors: Wang Minmin , Zhou Li , Zhang Mengke , Song Wenwu , Zhong Weiting , Wang Xunyue , Tang Yanfeng 
Published: October 2022

AbstractTransition metal phosphides (TMP) with high conductivity and better H* intermediate adsorption energy have attracted great attention in hydrogen evolution process. Herein, a Ni12P5 nanoneedle array was synthesized by a facile one‐step phosphorization method. As expected, the obtained Ni12P5 nanoneedle arrays exhibits high HER performance, and low overpotentials of 59, 117, and 148 mV are need to drive hydrogen evolution at current densities of 10, 50, and 100 mA cm−2 in 1 mol/L KOH electrolyte, respectively. Meanwhile, the obtained electrode exhibits excellent hydrogen evolution activity in both acidic and neutral media. Excellent electrochemical performances demonstrate that the nickel phosphide could be a candidate for high‐performance water electrolysis over a wide pH range.
Determination of Allura Red AC with a β‐Cyclodextrin‐Modified Carbon Paste Electrode
Authors: Pliuta Konstantin , Snigur Denys 
Published: October 2022

AbstractThe problem of reducing the amount of the analyzed sample and waste during chemical analysis has recently received special attention. In this paper, a method relating to adsorptive stripping voltammetry, using a carbon paste electrode modified with β‐Cyclodextrin were used for Allura Red AC determination in soft drinks. The redox behavior of the dye was studied using the developed sensor, and a mechanism for its oxidation was proposed. Under optimal analysis conditions, the instrumental range of determined concentrations is 0.16–4.9 μg/mL, and the LOQ is 0.21 μg/mL with an RSD below 10 %. The proposed methodology and developed sensor have been successfully applied to model solutions and soft drinks analysis.
Development of a Divergent Synthetic Avenue towards Conduritol‐E, allo‐Inositol, talo‐Quercitol and Palitantin from D‐Ribose
Authors: Sivakrishna Balija , Sahoo Subrata , Kumar Aditya , Pal Shantanu 
Published: October 2022

AbstractA convenient and diverse common synthetic strategy was developed for total synthesis of conduritol‐E, allo‐inositol, talo‐quercitol, and formal synthesis of palitantin from the common polyhydroxylated cyclohexenol intermediate, which was synthesized from readily available D‐ribose. The synthetic avenue includes Barbier allylation, RCM reaction, and oxidative diol cleavage as key steps.
1,3‐Dipolar Cycloadditions of Cyanoheteroarenes with non‐stabilized Azomethine Ylides : C≡N vs Aromatic C=C Reactivity
Authors: Rkein Batoul , Manneveau Maxime , Gérard Hélène , Legros Julien , Chataigner Isabelle 
Published: October 2022

AbstractIndoles, benzofurans and benzothiophenes substituted by a cyano group at positions 2 or 3 are shown to behave differently toward azomethine ylide 1,3‐dipole 1, in (3+2) cycloadditions. While the C2=C3 aromatic double bond of 3‐cyanoheteroarene reacts as dipolarophile to generate the corresponding dearomatized cycloadducts, the C≡N bond of 2‐cyanobenzofuran reveals more reactive and imidazoline are obtained in this case. 2‐Cyanoindole substituted by an electron‐withdrawing triflyl group on the nitrogen atom allows the formation of the bis‐cycloadduct where the C=C and C≡N moieties both reacted. The C≡N vs C=C reactivity is nicely supported by DFT computations.
A simplified stress–strain relationship for the mechanical behavior of corroded prestressing strands: The SCPS‐model
Authors: Franceschini Lorenzo , Belletti Beatrice , Tondolo Francesco , Sanchez Montero Javier 
Published: October 2022

AbstractThis article presents a simplified stress–strain relationship for the definition of the mechanical behavior of prestressing strands subjected to chloride‐induced corrosion, named SCPS‐model (Simplified Model for Corroded Prestressing Strands). The constitutive law adopts the equivalent spring model, that reproduces the overall behavior of a corroded strand by summing the contributions of each wire, assumed as a spring working in parallel to the others. The SCPS‐model is designed for the application in the daily engineering practice; to this aim, it is based on a single input parameter that is the maximum penetration depth of the most corroded wire. Following a detailed description of the model formulation and parameters, the article shows the validation of the stress–strain relationship through several comparisons with experimental tensile test outcomes coming from scientific literature. Finally, a statistical analysis of the dimensionless ratio of experimental and analytical results in terms of ultimate corroded strength and strain is carried out to demonstrate the effectiveness of the SCPS‐model. Concluding, the accurate and safe side prediction of the residual mechanical behavior of corroded prestressing strands is proposed using the SCPS‐model.
The influence of granite powder waste and the addition of fly ash on concrete bleeding
Authors: Chajec Adrian , Kwietniowski Szymon , Woźniak Zuzanna , Šavija Branko , Sadowski Łukasz 
Published: October 2022

AbstractBleeding is a common problem in concrete slabs, and may lead to serious damage. The goal of this article is to understand the impact of alternative binders and their properties on the bleeding of concrete. Therefore, the impact of the type of binder on the bleeding process is investigated. The results show that the addition of granite powder or fly ash allows for the increased control of the bleeding process. It was found that a finer particle size distribution (PSD), an increased specific surface area (SSA), and a higher bulk density may reduce the amount of dispensed water in the concrete mix. Furthermore, the use of additives with an increased SSA leads to even a 30% reduction of the bleeding rate of mixes. The utilization of additives with a finer PSD than cement enables a 37% reduction of the bleeding rate of mixes. The influence of bleeding on compressive strength was assessed using destructive and non‐destructive tests: Replacing 30% of cement with granite powder leads to a 30% reduction of concrete strength after 28 days of curing; on the other hand, replacing 30% of cement with siliceous fly ash leads to an 18% reduction of strength. Importantly, bleeding was also found to lead to the heterogeneity of the physical and mechanical properties across the concrete section. Consequently, the proper control of the bleeding process leads to more homogeneous properties of concrete across its cross‐section.
Effects of treadmill exercise and chronic stress on anxiety‐like behavior, neuronal activity, and oxidative stress in basolateral amygdala in morphine‐treated rats
Authors: Shahidani Somayeh , Jokar Zahra , Alaei Hojjatallah , Reisi Parham 
Published: October 2022

AbstractThe basolateral amygdala (BLA), which is sensitive to stress, is necessary for reward‐seeking behavior and addiction. Regular exercise can produce various positive effects by affecting the BLA. Therefore, we aimed to investigate the effects of chronic stress and treadmill running (TR) on anxiety‐like behavior, neuronal activity, lipid peroxidation (measured by malondialdehyde (MDA) levels, a marker for oxidative stress), and total thiol in BLA, in morphine‐treated rats.Male Wistar rats were restricted in restraint stress and/or ran on the treadmill and treated with morphine (5 mg/kg) for 21 days. Anxiety‐like behavior was evaluated using an elevated plus maze (EPM) and open field tests (OFTs), on day 22. On day 23, neuronal activity in BLA was assessed via single‐unit recording. Finally, MDA and total thiol were assessed in BLA.Our results showed that chronic administration of morphine (5 mg/kg) did not affect anxiety‐like behavior. However, the morphine‐treated rats, subjected to chronic stress and exercise, showed fewer anxiety‐like behaviors. Morphine increased BLA's MDA levels but it was prevented by TR. Glutamatergic and GABAergic basal neuronal activities were low in morphine‐treated rats but after acute morphine application, there was a significant decrease in GABAergic neuronal activities in the morphine‐exercise‐stress (Mor‐Exe‐St) group.The results of this study showed that in morphine‐treated rats, stress and exercise or their combination could have either co‐directional or opposite effects to the chronic effects of morphine. These results indicate the existence of common pathways similar to endogenous opioids.
Data validation and statistical issues such as power and other considerations in genome‐wide association study (GWAS)
Authors: Tomita Makoto 
Published: October 2022

AbstractA series of steps in genomic data analysis will be presented. In data validation, starting with marker quality control, he mentioned structuring problems from ethnic populations, genome‐wide significant levels, Manhattan plots, and Haploview. Statistical issues such as power, sample size calculation, false discovery rate, and QQ plot ofp‐values were also introduced.This article is categorized under:Applications of Computational Statistics > DNA Analysis
CRISPR‐Cas system manipulating nanoparticles signal transduction for cancer diagnosis
Authors: Guo Yuqian , Guo Liang , Su Yu , Xiong Yonghua 
Published: October 2022

AbstractEarly diagnosis of cancer is important to improve the survival rate and relieve patient pain. Sensitive detection of cancer related biomarkers in body fluids is a critical approach for the early diagnosis of cancer. The clustered regularly interspaced short palindromic repeat‐associated protein (CRISPR‐Cas) system has emerged as a molecular manipulation technology because of its simple detection procedure, high base resolution, and isothermal signal amplification. Recently, various nanomaterials with unique optical and electrical characteristics have been introduced as the novel signal transducers to enhance the detection performance of CRISPR‐Cas‐based nanosensors. This review summarizes the working mechanisms of the CRISPR‐Cas system for biosensing. It also enumerates the strategies of CRISPR‐manipulated nanosensors based on various signal models for cancer diagnosis, including colorimetric, fluorescence, electrochemical, electrochemiluminescence, pressure, and other signals. Finally, the prospects and challenges of CRISPR‐Cas‐based nanosensors for cancer diagnostic are also discussed.This article is categorized under:
Diagnostic Tools > Biosensing
Energy extraction from AdS black holes via superradiance
Authors: Ishii Takaaki , Kaku Youka , Murata Keiju 
Published: October 2022

Abstract
Superradiance is known as a wave amplification process caused by rotating or charged black holes. We argue that the superradiance of stationary black holes in asymptotically AdS spacetimes can be characterized by the ability of energy extraction. Specifically, we demonstrate that energy can be extracted from Reissner-Nordström-AdS4 and Kerr-AdS4 under appropriate time-dependent boundary conditions at conformal boundaries. This indicates that energy can be extracted from thermal states dual to these black holes by applying appropriate time-dependent sources. We also show that the energy extraction can be realized as a reversible process.