bluuebunny/crossref_metadata_2025_split huggingface dataset:
Fluorinated borono‐phenylalanine for optimizing BNCT: Enhancing boron absorption against hydrogen scattering for thermal neutrons
Authors: Romanelli Giovanni , Capuani Silvia , Onorati Dalila , Ulpiani Pierfrancesco , Preziosi Enrico , Andreani Carla , Senesi Roberto 
Published: November 2023

AbstractBackgroundBoron‐containing compounds, such as 4‐borono‐phenylalanine (BPA) are used as drugs for cancer treatment in the framework of Boron Neutron Capture Therapy (BNCT). Neutron irradiation of boron‐rich compounds delivered to cancer cells triggers nuclear reactions that destroy cancer cells.PurposeWe provide a modeling of the thermal neutron cross section of BPA, a drug used in Boron Neutron Capture Therapy (BNCT), to quantify the competing contributions of boron absorption against hydrogen scattering, for optimizing BNCT by minimizing the latter.MethodsWe perform the experimental determination of the total neutron scattering cross section of BPA at thermal and epithermal neutron energies using neutron transmission measurements. We isolate the contribution related to the incoherent scattering by hydrogen atoms as a function of the neutron energy by means of the Average Functional Group Approximation, and we calculate the probability for a neutron of being absorbed as a function of the neutron energy both for BPA and for its variants where either one or all four aromatic hydrogen atoms are substituted by 19F, and both for the samples with natural occurrence or enriched concentration of 10B.ResultsWhile referring to the already available literature for in vivo use of fluorinated BPA, we show that fluorine‐rich variants of BPA increase the probability of neutrons being captured by the molecule. As the higher absorption efficiency of fluorinated BPA does not depend on whether the molecule is used in vivo or not, our results are promising for the higher efficiency of the boron neutron capture treatment.ConclusionsOur results suggest a new advantage using fluorinated compounds for BNCT, in their optimized interaction with neutrons, in addition to their already known capability to be used for monitoring and pharmacokinetics studies using 19F‐Nuclear Magnetic Resonance or in 18F‐Positron Emission Tomography.
Feasibility of Monte Carlo dropout‐based uncertainty maps to evaluate deep learning‐based synthetic CTs for adaptive proton therapy
Authors: Galapon Arthur Villanueva , Thummerer Adrian , Langendijk Johannes Albertus , Wagenaar Dirk , Both Stefan 
Published: November 2023

AbstractBackgroundDeep learning has shown promising results to generate MRI‐based synthetic CTs and to enable accurate proton dose calculations on MRIs. For clinical implementation of synthetic CTs, quality assurance tools that verify their quality and reliability are required but still lacking.PurposeThis study aims to evaluate the predictive value of uncertainty maps generated with Monte Carlo dropout (MCD) for verifying proton dose calculations on deep‐learning‐based synthetic CTs (sCTs) derived from MRIs in online adaptive proton therapy.MethodsTwo deep‐learning models (DCNN and cycleGAN) were trained for CT image synthesis using 101 paired CT‐MR images. sCT images were generated using MCD for each model by performing 10 inferences with activated dropout layers. The final sCT was obtained by averaging the inferred sCTs, while the uncertainty map was obtained from the HU variance corresponding to each voxel of 10 sCTs.The resulting uncertainty maps were compared to the observed HU‐, range‐, WET‐, and dose‐error maps between the sCT and planning CT. For range and WET errors, the generated uncertainty maps were projected along the 90‐degree angle. To evaluate the dose distribution, a mask based on the 5%‐isodose curve was applied to only include voxels along the beam paths. Pearson's correlation coefficients were calculated to determine the correlation between the uncertainty maps and HUs, range, WET, and dose errors. To evaluate the dosimetric accuracy of synthetic CTs, clinical proton treatment plans were recalculated and compared to the pCTsResultsEvaluation of the correlation showed an average of r = 0.92 ± 0.03 and r = 0.92 ± 0.03 for errors between uncertainty‐HU, r = 0.66 ± 0.09 and r = 0.62 ± 0.06 between uncertainty‐range, r = 0.64 ± 0.06 and r = 0.58 ± 0.07 between uncertainty‐WET, and r = 0.65 ± 0.09 and r = 0.67 ± 0.07 between uncertainty and dose difference for DCNN and cycleGAN model, respectively. Dosimetric comparison for target volumes showed an average 3%/3 mm gamma pass rate of 99.76 ± 0.43 (DCNN) and 99.10 ± 1.27 (cycleGAN).ConclusionThe observed correlations between uncertainty maps and the various metrics (HU, range, WET, and dose errors) demonstrated the potential of MCD‐based uncertainty maps as a reliable QA tool to evaluate the accuracy of deep learning‐based sCTs.
A Fast HPLC/UV Method for Determination of Ketoprofen in Cellular Media
Authors: Vozniuk Oleksandra , Kejík Zdeněk , Veselá Kateřina , Skaličková Markéta , Novotný Petr , Hromádka Róbert , Hajduch Jan , Martásek Pavel , Jakubek Milan 
Published: November 2023

AbstractA simple, sensitive and quick HPLC method was developed for the determination of ketoprofen in cell culture media (EMEM, DMEM, RPMI). Separation was performed using a gradient on the C18 column with a mobile phase of acetonitrile and miliQ water acidified by 0.1 % (v/v) formic acid. The method was validated for parameters including linearity, accuracy, precision, limit of quantitation and limit of detection, as well as robustness. The response was found linear over the range of 3–100 μg/mL as demonstrated by the acquired value of correlation coefficient R2=0.9997. The described method is applicable for determination of various pharmacokinetic aspects of ketoprofen in vitro.
Addressing fraudulent responses in online surveys: Insights from a web‐based participatory mapping study
Authors: Johnson Malcolm S. , Adams Vanessa M. , Byrne Jason 
Published: November 2023

Abstract

Web‐based studies of human dimensions are increasing across environmental and socio‐ecological disciplines. However, the prevalence of fraud threatens research quality. Increased fraud rates should be expected as surveys move progressively more online, motivated by expanding reach, cost savings and/or in response to COVID‐19. Web‐based research must better account for fraud to maintain confidence in findings. Practical diagnostic tools and data quality protocols are required to detect fraud and ensure results quality.

Drawing on our experience using an online participatory mapping case study, we discuss methods to detect potentially fraudulent responses—and identify some limitations. We begin by reviewing the current state of knowledge on fraudulent responses or ‘fraudsters’ and its relative absence in environmental and socio‐ecological disciplines. We then describe our research approach, the indicators and variables we used to detect and assess fraud and our decision‐making process to eliminate suspicious responses without jeopardizing research integrity.

We found that despite several preventative measures, many fraudulent respondents could provide survey responses and effectively mimicked legitimate respondents at first glance. By assuming each response to be ‘potentially fraudulent’, we determined that the complete screening of each respondent, while time‐consuming, can limit the prevalence of fraud. We also determined that the most common data consistency checks (e.g. duration, trap questions and straight‐liner checks) are unlikely to guarantee valid respondents.

If not acknowledged and addressed, fraud has the potential to undermine data integrity, discredit research findings and limit the utility of results for policy. This study contributes to environmental and socio‐ecological research by reviewing existing fraudster literature and using our experience with fraud to provide recommendations for researchers to address this problem. We encourage researchers implementing online qualitative research methods to thoroughly assess and report fraud, when possible, to ensure widespread knowledge of this growing threat.

Read the free Plain Language Summary for this article on the Journal blog.
Mental healthcare utilization among head and neck cancer patients: A longitudinal cohort study
Authors: Jansen Femke , Lissenberg‐Witte Birgit I. , Hardillo Jose A. , Takes Robert P. , de Bree Remco , Lamers Femke , Langendijk Johannes A. , Leemans C. René , Verdonck‐de Leeuw Irma M. 
Published: November 2023

AbstractObjectiveTo investigate utilization of mental healthcare among head and neck cancer (HNC) patients from diagnosis to 2 years after treatment, in relation to psychological symptoms, mental disorders, need for mental healthcare, and sociodemographic, clinical and personal factors.MethodsNetherlands Quality of life and Biomedical Cohort study data as measured before treatment, at 3 and 6 months, and at 1 and 2 years after treatment was used (n = 610). Data on mental healthcare utilization (iMCQ), psychological symptoms (Hospital Anxiety and Depression Scale, Cancer Worry Scale), mental disorders (CIDI interview), need for mental healthcare (Supportive Care Needs Survey Short‐Form 34, either as continuous outcome indicating the level of need or dichotomized into unmet need (yes/no)) and several sociodemographic, clinical and personal factors were collected. Factors associated with mental healthcare utilization were investigated using generalized estimating equations (p < 0.05).ResultsOf all HNC patients, 5%–9% used mental healthcare per timepoint. This was 4%–14% in patients with mild‐severe psychological symptoms, 4%–17% in patients with severe psychological symptoms, 15%–35% in patients with a mental disorder and 5%–16% in patients with an unmet need for mental healthcare. Among all patients, higher symptoms of anxiety, a higher need for mental healthcare, lower age, higher disease stage, lower self‐efficacy and higher social support seeking were significantly associated with mental healthcare utilization.ConclusionMental health care utilization among HNC patients is limited, and is related to psychological symptoms, need for mental healthcare, and sociodemographic, clinical and personal factors.
Signatures of tRNAGlx‐specificity in proteobacterial glutamyl‐tRNA synthetases
Authors: Dasgupta Saumya , Dev Aditya , Chongdar Nipa , Basak Premananda , Dastidar Shubhra Ghosh , Basu Gautam 
Published: November 2023

AbstractThe canonical function of glutamyl‐tRNA synthetase (GluRS) is to glutamylate tRNAGlu. Yet not all bacterial GluRSs glutamylate tRNAGlu; many glutamylate both tRNAGlu and tRNAGln, while some glutamylate only tRNAGln and not the cognate substrate tRNAGlu. Understanding the basis of the unique specificity of tRNAGlx is important. Mutational studies have hinted at hotspot residues, both on tRNAGlx and GluRS, which play crucial roles in tRNAGlx‐specificity. However, its underlying structural basis remains unexplored. The majority of biochemical studies related to tRNAGlx‐specificity have been performed on GluRS from Escherichia coli and other proteobacterial species. However, since the early crystal structures of GluRS and tRNAGlu‐bound GluRS were from non‐proteobacterial species (Thermus thermophilus), proteobacterial biochemical data have often been interpreted in the context of non‐proteobacterial GluRS structures. Marked differences between proteobacterial and non‐proteobacterial GluRSs have been demonstrated; therefore, it is important to understand tRNAGlx‐specificity vis‐a‐vis proteobacterial GluRS structures. To this end, we solved the crystal structure of a double mutant GluRS from E. coli. Using the solved structure and several other currently available proteo‐ and non‐proteobacterial GluRS crystal structures, we probed the structural basis of the tRNAGlx‐specificity of bacterial GluRSs. Specifically, our analyses suggest a unique role played by the tRNAGlx D‐helix contacting loop of GluRS in the modulation of tRNAGln‐specificity. While earlier studies have identified functional hotspots on tRNAGlx that control the tRNAGlx‐specificity of GluRS, this is the first report of complementary signatures of tRNAGlx‐specificity in GluRS.
Chemistry of sulfines. PART IX: Sulfines by oxidation of dithiocarboxylic esters
Authors: Zwanenburg B. , Thus L. , Strating J. 
Published: November 2023

AbstractThe oxidation of dithiocarboxylic esters with peracids is described. Methyl dithio‐l‐naphthoate (I) produces the trans‐ and cis‐(methylthio)sulfines I la and IIb. The trans‐isomer IIa gives on oxidation the trans‐(methylsulfinyl)sulfine IIIa, which is then converted to the trans‐(methylsulfonyl)sulfine IVa by further treatment with a peracid (Scheme I). Similarly phenyl dithiobenzoate (V) gives trans‐ and cis‐phenyl(phenylthio)sulfine (VIa and VIb). Each of these isomers was subjected to further oxidation giving the trans‐ and cis‐phenyl(phenylsulfinyl) sulfines VIIa and VIIb, and the trans‐ and cis‐phenyl(phenylsulfonyl)sulfines, VIIIa and VIIIb (Scheme II). Similarly, phenyl 2,4,6‐trimethyldithiobenzoate (IX) is oxidized to the corresponding trans‐ and cis‐mesityl(phenylthio)‐, mesityl (phenylsulfinyl) and mesityl(phenylsulfonyl)sulfines, Xa,b, XIa,b and XIIa,b, respectively. (Scheme III).The spectra, particularly the PMR spectra, are discussed in conjunction with the structural assignment of the sulfines. The deshielding effect of the > CSO group and also intramolecular shielding effects are invoked. Interestingly, the ortho‐methyl groups in both mesityl(phenylsulfinyl)sulfines (XIa,b) are magnetically non‐equivalent. This results from the asymmetric sulfoxide function in these sulfines which makes the two ortho methyl groups in XI diastereotopic.
Hindered internal rotation in alkyl N‐[(Arylsulfonyl)‐methyl]‐N‐Methylcarbamates. A total line shape NMR study
Authors: van Der Werf S. , Engberts J.B.F.N. 
Published: November 2023

AbstractThe kinetic parameters of hindered internal rotation around the carbonyl carbon to nitrogen bond in three alkyl N‐[(arylsulfonyl)methyl]‐N‐methylcarbamates and in methyl N‐methyl‐N‐[(p‐tolylthio)methyl]carbamate have been determined using the NMR total line shape technique and an iterative computer programme.The lifetimes of both rotamers were evaluated from the temperature‐dependent signals of the ester alkyl groups. The choice of the input line‐width parameters was found to be critical. Activation parameters for the exchange reactions are discussed in terms of the structures of the carbamates and are compared with those of structurally related compounds.
Observer‐based event‐triggered security control for nonlinear networked control systems with cyber attacks
Authors: Huang Fan , Pan Yingnan , Lu Qing 
Published: November 2023

SummaryThis paper investigates the observer‐based security control problem for interval type‐2 nonlinear networked control systems with deception attacks and replay attacks. Firstly, to alleviate the communication burden of the network, a novel adaptive event‐triggered communication (ETC) mechanism is proposed. Compared with existing observer‐based adaptive ETC security control techniques, the threshold of the proposed adaptive ETC scheme can be adjusted dynamically depending on the value of adjustable parameters and estimation error. In particular, the adjustable parameters can change the sensitivity of the threshold flexibly. Then, taking the influence of the adaptive ETC mechanism and cyber attacks into consideration, an observer‐based security controller is developed under the co‐designed method. Furthermore, by utilizing the Lyapunov stability theory, sufficient conditions for asymptotically mean‐square stable of the closed‐loop system are obtained. Ultimately, the feasibility of the designed control approach can be proved via a simulation example.
Leveraging environmental, social, and governance strategies for sustainable tannery solid waste management towards achieving sustainable development goals
Authors: Moktadir Md. Abdul , Ren Jingzheng 
Published: November 2023

AbstractTannery solid waste (TSW) management is vital for promoting sustainable development in the leather industry. However, sustainable management of TSW is challenging as it contains hazardous chemicals. Implementing environmental, social, and governance (ESG) practices can support managing TSW towards achieving sustainable development goals (SDGs). However, it is not easy to implement ESG practices for TSW management since numerous challenges exist in the system. To assist TSW management through ESG implementation, it is imperative to investigate the interactions among challenges and mitigation strategies. However, the existing decision‐making models cannot deal with the uncertainty and vagueness on a border scale during interaction evaluation and alternatives ranking. Additionally, there is a shortage of scientific works on ESG practices in emerging economies. Therefore, this study, for the first time, offers an integrated novel Dombi t‐norm and Dombi t‐conorm grounded interval valued Fermatean fuzzy sets (IVFFSs) Delphi, an extended IVFFSs‐weighted influence non‐liner Gause system (WINGS), and novel IVFFSs‐TODIM approach which is utterly lacking in the present literature. Also, the study offers a strategic roadmap to understand the interlinkage of findings with SDGs. The results of the IVFFSs‐WINGS analysis confirmed that the “Lack of solid waste management policy” is the most critical challenge for ESG implementation. Further, IVFFSs‐TODIM analysis confirmed that the “Policy development for TSW management complying with ESG and SDGs” is the top ESG challenges mitigation strategy for TSW management. The study's findings will provide guidance for government agencies, policymakers, and relevant stakeholders of the emerging economies tannery industry for successful implementation of ESG practices, thus helping to achieve SDGs.
Three‐dimensional reconstruction, taphonomic and petrological data suggest that the oldest record of bioturbation is a body fossil coquina
Authors: Psarras Christos , Donoghue Philip C.J. , Garwood Russell J. , Grazhdankin Dmitriy V. , Parry Luke A. , Rogov Vladimir I. , Liu Alexander G. 
Published: November 2023

AbstractFossil material assigned to Nenoxites from the late Ediacaran Khatyspyt Formation of Arctic Siberia (550–544 Ma) has been presented as evidence for bioturbation prior to the basal Cambrian boundary. However, that ichnological interpretation has been challenged, and descriptions of similar material from other global localities support a body fossil origin. Here we combine x‐ray computed tomography, scanning electron microscopy and petrographic methods to evaluate the body or trace fossil nature of Nenoxites from the Khatyspyt Formation. The fossilized structures consist of densely packed chains of three‐dimensionally preserved silicic, bowl‐shaped elements surrounded by distinct sedimentary halos, in a dolomitized matrix. Individual bowl‐shaped elements can exhibit diffuse mineralogical boundaries and bridging connections between elements, both considered here to result from silicification and dolomitization during diagenesis. This new morphological and petrological evidence, in conjunction with recent studies of the late Ediacaran tubular taxa Ordinilunulatus and Shaanxilithes from China, suggest that the Khatyspyt specimens most probably reflect a coquina deposit of Shaanxilithes‐like body fossils. Our data support the possibility of Shaanxilithes‐like organisms representing total group eumetazoans.
Katian (Late Ordovician) trilobites of the North Qilian Mountains and their palaeogeographical implications for the Proto‐Tethys Archipelagic Ocean
Authors: Wei Xin , Luan Xiaocong , Zhang Yuchen , Yan Guanzhou , Zhan Renbin 
Published: November 2023

AbstractTrilobites from the middle Koumenzi Formation (Katian, Upper Ordovician) of the North Qilian Mountains, Menyuan, northeastern Qinghai Province are systematically documented for the first time. The fauna consists of five families, seven genera and seven species, one of which is new (Remopleurides zhangi), showing a close relationship to those of the Kazakh terranes (such as the Chu‐Ili terrane, Chingiz‐Tarbagatai area and the Karatau‐Naryn and North‐Tien Shan microcontinents), and the North China and Laurentia palaeoplates during the Katian (Late Ordovician). The cluster and non‐metric multidimensional scaling analyses of the Middle–Late Ordovician (late Darriwilian–Katian) trilobite faunas with 299 genera or subgenera from 46 horizons of 37 areas, provide valuable information for the palaeogeographical reconstruction of the Proto‐Tethys Archipelagic Ocean (PTAO) of this interval. The Qilian terrane and adjacent areas are essential components of the PTAO, some of which include the Qilian terrane, the North Qilian Mountains area, the Altun faulted terrane, the Hexi Corridor area and the East Qinling terrane. Their relative positions in the PTAO are inferred by the palaeobiogeography of trilobite faunas. Furthermore, based on discussions of the spatiotemporal distribution of those faunas, thePliomerinaand/orSinocybeleProvince of the Middle–Late Ordovician (late Darriwilian–Katian) age is defined as a trilobite faunal province of the PTAO. Moreover, a distinct faunal subprovince, essentially comprising the South China Palaeoplate and its neighbours (e.g. Tarim, Annamia, Sibuma, East Qinling, Turkestan‐Alai and probably Talesh), might be surrounded by the equatorial cold‐water tongue.
Corpora, Locally Sourced: An Approach to Addressing the Specific Needs of ESL Writing Programs
Authors: Lee Joseph J. 
Published: November 2023

AbstractThis paper discusses the development and implementation of a locally‐sourced corpus to address the specific needs of an ESL writing program. The paper begins with a description of the motivation and development of the Corpus of Ohio Learner and Teacher English (COLTE), a large in‐house corpus consisting of assessed ESL student writing and teacher feedback from first‐year writing courses. The paper illustrates research conducted within the local context using the COLTE and discusses how the program's corpus‐based approach influenced curricular revisions and instructional practice. It addresses the evaluation of these efforts, challenges encountered, and considerations for building and using corpora at the program level. The paper concludes by arguing that stakeholders within programs can work collaboratively to build and use locally‐sourced corpora grounded in their specific setting to explore local practices and address the English language learning and teaching needs of their own particular context.