bluuebunny/crossref_metadata_2025_split huggingface dataset:
Acid‐Catalyzed Activation and Condensation of the =C5H Bond of Furfural on Aldehydes, an Entry Point to Biobased Monomers
Authors: Behloul Sarah , Gayraud Oscar , Frapper Gilles , Guégan Frédéric , Upitak Kanokon , Thomas Christophe M. , Yan Z. , De Oliveira Vigier Karine , Jérôme François 
Published: March 2024

AbstractFurfural is an industrially relevant biobased chemical platform. Unlike classical furan, or C‐alkylated furans, which have been previously described in the current literature, the =C5H bond of furfural is unreactive. As a result, on a large scale, C=C and C=O bond hydrogenation/hydrogenolysis is mainly performed, with furfuryl alcohol and methyl tetrahydrofuran being the two main downstream chemicals. Here, we show that the derivatization of the ‐CHO group of furfural restores the reactivity of its =C5H bond, thus permitting its double condensation on various alkyl aldehydes. Overcoming the recalcitrance of the =C5H bond of furfural has opened an access to a biobased monomer, whose potential have been investigated in the fabrication of renewably‐sourced poly(silylether). By means of a combined theoretical‐experimental study, a reactivity scale for furfural and its protected derivatives against carbonylated compounds has been established using an electrophilicity descriptor, a means to predict the molecular diversity and complexity this pathway may support, and also to de‐risk any project related to this topic. Finally, by using performance criteria for industrial operations in the field of fuels and commodities, we discussed the industrial potential of this work in terms of cost, E‐factor, reactor productivity and catalyst consumption.
Bear in mind! Bear presence and individual experience with calf survival shape the selection of calving sites in a long‐lived solitary ungulate
Authors: Dijkgraaf Lisa , Stenbacka Fredrik , Cromsigt Joris P. G. M. , Ericsson Göran , Neumann Wiebke 
Published: March 2024

AbstractThe careful selection of ungulate calving sites to improve offspring survival is vital in the face of predation. In general, there is limited knowledge to which degree predator presence and prey's individual experience shape the selection of calving sites. Predator presence influences the spatiotemporal risk of encountering a predator, while individual experiences with previous predation events shape perceived mortality risks. We used a multi‐year movement dataset of a long‐lived female ungulate (moose, Alces alces, n = 79) and associated calf survival to test how predator presence (i.e., encounter risk) and females' individual experiences with previous calf mortality events affected their calving site selection and site fidelity. Using data from areas with and without Scandinavian brown bear (Ursus arctos) predation, we compared females' calving site selection using individual‐based analyses. Our findings suggest two things. First, bear presence influences calving site selection in this solitary living ungulate. Females in areas with bears were selected for higher shrub and tree cover and showed lower site fidelity than in the bear‐free area. Second, the individual experience of calf loss changes females' selection the following year. Females with lost calves had a lower site fidelity compared to females with surviving calves. Our findings suggest that increased vegetation cover may be important for reducing encounter risk in bear areas, possibly by improving calf concealment. Lower site fidelity might represent a strategy to make the placement of calving sites less predictable for predators. We suggest that bear presence shapes both habitat selection and calving site fidelity in a long‐lived animal, whereas the effect of individual experience with previous calf loss varies. We encourage further research on the relevance of female experience on the success of expressed anti‐predator strategies during calving periods.
A perspective‐driven and technical evaluation of machine learning in bioreactor scale‐up: A case‐study for potential model developments
Authors: Karimi Alavijeh Masih , Lee Yih Yean , Gras Sally L. 
Published: March 2024

AbstractBioreactor scale‐up and scale‐down have always been a topical issue for the biopharmaceutical industry and despite considerable effort, the identification of a fail‐safe strategy for bioprocess development across scales remains a challenge. With the ubiquitous growth of digital transformation technologies, new scaling methods based on computer models may enable more effective scaling. This study aimed to evaluate the potential application of machine learning (ML) algorithms for bioreactor scale‐up, with a specific focus on the prediction of scaling parameters. Factors critical to the development of such models were identified and data for bioreactor scale‐up studies involving CHO cell‐generated mAb products collated from the literature and public sources for the development of unsupervised and supervised ML models. Comparison of bioreactor performance across scales identified similarities between the different processes and primary differences between small‐ and large‐scale bioreactors. A series of three case studies were developed to assess the relationship between cell growth and scale‐sensitive bioreactor features. An embedding layer improved the capability of artificial neural network models to predict cell growth at a large‐scale, as this approach captured similarities between the processes. Further models constructed to predict scaling parameters demonstrated how ML models may be applied to assist the scaling process. The development of data sets that include more characterization data with greater variability under different gassing and agitation regimes will also assist the future development of ML tools for bioreactor scaling.
Polyvinyl alcohol/ammonium iodide/ionic liquid‐4‐ethyl‐4‐methylmorpholiniumbromide based polymer electrolytes and its application in electric double layer capacitor
Authors: Gairola Yashvi , Rajput Kanika , Tomar Richa , Kumar Sushant , Konwar Subhrajit , Aldbea Ftema W. , Yadav Tarun , Yahya M. Z. A. , Singh Pramod K. 
Published: March 2024

AbstractIn this study, we have synthesized solid polymer electrolytes using polyvinyl alcohol as a host polymer that has been doped with ionic liquid and ammonium iodide. Impedance spectroscopy revealed that the increase in ionic liquid doping increased the ionic conductivity of the PVA‐NH4I complex. The crystalline nature of the polymeric films was studied using polarized optical microscopy and x‐ray diffraction. To confirm the blending ability of polymer electrolyte, Fourier transform infrared spectroscopy was also used. Finally, a supercapacitor was fabricated using the highest conducting IL‐doped polymer electrolyte which demonstrates a specific capacitance of 97 F/g with a stable efficiency.
Isolation of Fidaxomicin and Shunt Metabolites from Actinoplanes deccanensis
Authors: Jung Erik , Hunter Maja , Dorst Andrea , Major Alexander , Teofilovic Tatjana , Müller Rolf , Gademann Karl 
Published: March 2024

AbstractA protocol for the isolation of the antibiotic fidaxomicin (Fdx) from Actinoplanes deccanensis and the isolation of shunt metabolites from A. deccanensis fdxG2− is reported. We constructed the mutant strain A. deccanensis fdxG2− by genetic manipulation which enabled the isolation of shunt metabolites as useful starting points for semisynthetic analogues of Fdx. Furthermore, a synthetic protocol for the conversion of complex A. deccanensis fdxG2− extracts into the single compound FdxG2‐OH via methanolysis is presented. This synthetic procedure is complemented by images and practical notes. Full structure assignment is given in the SI and the characterization data files are published to aid experimentalists. The protocol is also suitable as an undergraduate laboratory project. We hope to facilitate research into new Fdx derivatives through the availability of this procedure.
Assessing impacts of cemeteries on water quality in an urban headwater watershed with mixed human‐built infrastructure
Authors: Nesheim Samuel , Yu Zhongjie , Tuttle Samuel , Klein Jenna , Wen Tao 
Published: March 2024

AbstractCemeteries are understudied integral components to urban watersheds, which provide ecosystem services but can also export nutrients, trace elements, and other contaminants to nearby water bodies. In this study, we focus on Meadowbrook Creek, an urban headwater stream in Syracuse, New York (USA), which has shown significant nitrate contributions from a local cemetery. We collected biweekly surface water samples over the course of 1 year from 2022 to 2023 for analysis of major and trace elemental concentrations including Na, Ca, Mg, K, F, Cl, sulfate, and nitrate. Here, we aim to assess the impact of various human infrastructures on urban stream water quality with a particular focus on the cemetery and nitrate. A comparison between the new dataset in this study and previously reported water chemistry data in Meadowbrook in 2012 suggests a decade‐long impact of road salting and the cemetery on water quality particularly with respect to Na, Cl, and nitrate. Sulfate, Mg, Ca, and K are likely mainly geogenic. Stable nitrogen isotope data, the usage of concrete or steel vaults in the cemetery in the past 50 years, and the lack of correlation between nitrate and fluoride concentrations in stream water argue against burial decay products being a major source of nitrate to the stream. Instead, other nitrate sources that exist in the cemetery such as, fertilizer, decaying plant material, and wastewater, are more viable dominant nitrate sources. In addition, nitrate loading calculations indicate that the groundwater‐connected reach, including the cemetery, acts as an annual net sink for nitrate despite the seasonally varying sink‐source patterns.
RR‐HCL‐SVM: A two‐stage framework for assessing remaining thyroid tissue post‐thyroidectomy in SPECT images
Authors: Phu Minh Lai , Pham Thanh Vinh , Duc Thuc Pham , Thanh Trung Nguyen , Quoc Long Tran , Minh Duc Chu , Ngoc Ha Le , Hong Son Mai , Thi Phuong Nguyen , Thi Nhung Nguyen , Quoc Khanh Le , Nguyen Thuan Duc , Thai Ha Nguyen , Chi Thanh Nguyen 
Published: March 2024

AbstractThis paper presents a two‐stage deep learning framework, RR‐HCL‐SVM, designed to aid in the assessment of residual thyroid tissues following thyroidectomy, utilizing single‐photon emission computed tomography (SPECT) images. Leveraging the power of deep learning, our model offers a comprehensive solution for the detection and assessment of remaining thyroid tissues. To enhance accuracy, we introduce a unique combination of features, incorporating the Radio Scan Index (RSI) and radiomics features. These features not only improve accuracy but also provide valuable insights into tissue characterization. Moreover, we employ efficient clustering techniques for feature dimension reduction, preserving model performance while reducing computational complexity. Experimental results demonstrate the effectiveness of our approach, achieving an impressive F1 score of 0.97, sensitivity of 0.96, and specificity of 0.98. The RR‐HCL SVM framework holds great promise in the clinical setting for the precise evaluation of residual thyroid tissues post‐thyroidectomy, offering potential benefits for patient care and treatment planning.
Association of the ESR1 (rs9340799), OLR1 (rs3736234), LIPC (rs2070895), VDR (rs2228570), and CETP (rs708272) Polymorphisms With Risk of Coronary Artery Disease in Iranian Patients
Authors: Karam Zahra Miri , Yari Abolfazl , Najmadini Atefeh , Khorasani Nima Norouzi , Attari Rezvan , Jafarinejad‐Farsangi Saeideh , Karam Mohammad Ali Miri , Najafipour Hamid , Saeidi Kolsoum 
Published: March 2024

ABSTRACTBackgroundCoronary artery disease (CAD) is a devastating illness and a leading cause of death worldwide, primarily caused by atherosclerosis resulting from a genetic‐environmental interaction. This study aimed to investigate the relationship between the ESR1 (rs9340799), OLR1 (rs3736234), LIPC (rs2070895), VDR (rs2228570), and CETP (rs708272) polymorphisms, lipid profile parameters, and CAD risk in a southeast Iranian population.MethodsA total of 400 subjects (200 CAD patients with hyperlipidemia and 200 healthy controls) were enrolled in this case–control study. Five selected polymorphisms were genotyped using the polymerase chain reaction–restriction fragment length polymorphism (PCR‐RFLP) technique.ResultsFor all single nucleotide polymorphisms (SNPs), the population under study was in the Hardy–Weinberg equilibrium. The T‐risk allele frequency of rs2228570 was associated with an increased risk of CAD. The TT and CT genotypes of rs2228570 had also been associated with the risk of CAD. Additionally, the TT genotype was associated with higher serum low‐density lipoprotein cholesterol (LDL‐c) and high‐density lipoprotein cholesterol (HDL‐c) levels. The GG genotype of the rs3736234 was associated with higher body mass index (BMI) and triglyceride (TG) levels, and the AA genotype of the rs708272 was associated with higher HDL‐c levels. Based on these findings, we propose that the VDR (rs2228570) polymorphism was associated with serum HDL‐c and LDL‐c levels and may serve as potential risk factors for CAD within the Iranian population. Moreover, rs3736234 and rs708272 influence the concentrations of TG and HDL‐c, respectively.ConclusionThese findings provided insights into the complex interplay between genetic variations, cardiovascular risk, and lipid metabolism.
Is proton beam therapy always better than photon irradiation? Lessons from two cases
Authors: Li Michelle P , Yeo Adam , Gunewardena Roshini , Drum Gabrielle , Wiltshire Kirsty , Phillips Claire , Sia Joseph , Wheeler Greg , Hall Lisa 
Published: March 2024

AbstractProton beam therapy (PBT) is increasingly used to treat cancers, especially in the paediatric and adolescent and young adult (AYA) population. As PBT becomes more accessible, determining when PBT should be used instead of photon irradiation can be difficult. There is a need to balance patient, tumour and treatment factors when making this decision. Comparing the dosimetry between these two modalities plays an important role in this process. PBT can reduce low to intermediate doses to organs at risk (OAR), but photon irradiation has its dosimetric advantages. We present two cases with brain tumours, one paediatric and one AYA, in which treatment plan comparison between photons and protons showed dosimetric advantages of photon irradiation. The first case was an 18‐month‐old child diagnosed with posterior fossa ependymoma requiring adjuvant radiotherapy. Photon irradiation using volumetric modulated arc therapy (VMAT) had lower doses to the hippocampi but higher doses to the pituitary gland. The second case was a 21‐year‐old with an optic pathway glioma. There was better sparing of the critical optic structures and pituitary gland using fractionated stereotactic radiation therapy over PBT. The dosimetric advantages of photon irradiation over PBT have been demonstrated in these cases. This highlights the role of proton‐to‐photon comparative treatment planning to better understand which patients might benefit from photon irradiation versus PBT.
Detection of SARS‐CoV‐2 virus in middle ear effusions and its association with otitis media with effusion
Authors: Fu Xiao , Wang Zhujian , Chen Binjun , Sun Haojie , Lyu Jihan , Shao Jing , Lu Xiaoling , Xu Jianghong , Yang Juanmei , Chi Fanglu , Huang Yibo , Ren Dongdong 
Published: March 2024

AbstractA large‐scale outbreak of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS‐CoV‐2) occurred in Shanghai, China, in early December 2022. To study the incidence and characteristics of otitis media with effusion (OME) complicating SARS‐CoV‐2, we collected 267 middle ear effusion (MEE) samples and 172 nasopharyngeal (NP) swabs from patients. The SARS‐CoV‐2 virus was detected by RT‐PCR targeting. The SARS‐CoV‐2 virus, angiotensin‐converting enzyme 2 (ACE2), and transmembrane serine protease 2 (TMPRSS2) expression in human samples was examined via immunofluorescence. During the COVID‐19 epidemic in 2022, the incidence of OME (3%) significantly increased compared to the same period from 2020 to 2022. Ear symptoms in patients with SARS‐CoV‐2 complicated by OME generally appeared late, even after a negative NP swab, an average of 9.33 ± 6.272 days after COVID‐19 infection. The SARS‐CoV‐2 virus was detected in MEE, which had a higher viral load than NP swabs. The insertion rate of tympanostomy tubes was not significantly higher than in OME patients in 2019–2022. Virus migration led to high viral loads in MEE despite negative NP swabs, indicating that OME lagged behind respiratory infections but had a favorable prognosis. Furthermore, middle ear tissue from adult humans coexpressed the ACE2 receptor for the SARS‐CoV‐2 virus and the TMPRSS2 cofactors required for virus entry.
In‐Situ Wavefront Correction via Physics‐Informed Neural Network
Authors: Long Xian , Gao Yuan , Yuan Zheng , Yan Wenxiang , Ren Zhi‐Cheng , Wang Xi‐Lin , Ding Jianping , Wang Hui‐Tian 
Published: March 2024

AbstractWavefront distortions pose a significant limitation in various optical applications, hindering further advancements in optical system performance. In this study, a novel generic calibration model based on Zernike‐fitting neural network (ZFNN) is proposed, which enables insitu wavefront correction with just a single‐shot measurement. The experimental setup follows a standard or equivalent focal‐field imaging optical path, allowing calibration without the need to remove any components from the optical system. The ZFNN, a physics‐informed neural network, offers the advantage of not requiring prior training, eliminating the need for extensive labeled data. With a fully connected network architecture and a modest number of neurons (469), the ZFNN achieves exceptionally fast optimization speed and meets the basic requirements for real‐time calibration. Consequently, this approach holds great potential for applications such as rapid calibration of optical systems, high‐precision light field modulation, and various advanced imaging techniques.
First measurements of radon‐220 diffusion in mice tumors, towards treatment planning in diffusing alpha‐emitters radiation therapy
Authors: Heger Guy , Dumančić Mirta , Luz Ishai , Vatarescu Maayan , Weizman Noam , Miller Brian W. , Cooks Tomer , Arazi Lior 
Published: March 2024

AbstractBackgroundDiffusing alpha‐emitters radiation therapy (“Alpha‐DaRT”) is a new method for treating solid tumors with alpha particles, relying on the release of the short‐lived alpha‐emitting daughter atoms of radium‐224 from interstitial sources inserted into the tumor. Alpha‐DaRT tumor dosimetry is governed by the spread of radium's progeny around the source, as described by an approximate framework called the “diffusion‐leakage model”. The most important model parameters are the diffusion lengths of radon‐220 and lead‐212, and their estimation is therefore essential for treatment planning.PurposePrevious works have provided initial estimates for the dominant diffusion length, by measuring the activity spread inside mice‐borne tumors several days after the insertion of an Alpha‐DaRT source. The measurements, taken when lead‐212 was in secular equilibrium with radium‐224, were interpreted as representing the lead‐212 diffusion length. The aim of this work is to provide first experimental estimates for the diffusion length of radon‐220, using a new methodology.MethodsThe diffusion length of radon‐220 was estimated from autoradiography measurements of histological sections taken from 24 mice‐borne subcutaneous tumors of five different types. Unlike previous studies, the source dwell time inside the tumor was limited to 30 min, to prevent the buildup of lead‐212. To investigate the contribution of potential non‐diffusive processes, experiments were done in two sets: fourteen in vivo tumors, where during the treatment the tumors were still carried by the mice with active blood supply, and 10 ex‐vivo tumors, where the tumors were excised before source insertion and kept in a medium at with the source inside.ResultsThe measured diffusion lengths of radon‐220, extracted by fitting the recorded activity pattern up to 1.5 mm from the source, lie in the range , with no significant difference between the average values measured in in‐vivo and ex‐vivo tumors: versus . However, in‐vivo tumors display an enhanced spread of activity 2–3 mm away from the source. This effect is not explained by the current model and is much less pronounced in ex‐vivo tumors.ConclusionsThe average measured radon‐220 diffusion lengths in both in‐vivo and ex‐vivo tumors are consistent with published data on the diffusion length of radon in water and lie close to the upper limit of the previously estimated range of . The observation that close to the source there is no apparent difference between in‐vivo and ex‐vivo tumors, and the good agreement with the theoretical model in this region suggest that the spread of radon‐220 is predominantly diffusive in this region. The departure from the model prediction in in‐vivo tumors at large radial distances may hint at potential vascular contribution, which will be the subject of future works.
A comprehensive investigation of the performance of a commercial scintillator system for applications in electron FLASH radiotherapy
Authors: Liu Kevin , Holmes Shannon , Schüler Emil , Beddar Sam 
Published: March 2024

AbstractBackgroundDosimetry in ultra‐high dose rate (UHDR) beamlines is significantly challenged by limitations in real‐time monitoring and accurate measurement of beam output, beam parameters, and delivered doses using conventional radiation detectors, which exhibit dependencies in ultra‐high dose‐rate (UHDR) and high dose‐per‐pulse (DPP) beamline conditions.PurposeIn this study, we characterized the response of the Exradin W2 plastic scintillator (Standard Imaging, Inc.), a water‐equivalent detector that provides measurements with a time resolution of 100 Hz, to determine its feasibility for use in UHDR electron beamlines.MethodsThe W2 scintillator was exposed to an UHDR electron beam with different beam parameters by varying the pulse repetition frequency (PRF), pulse width (PW), and pulse amplitude settings of an electron UHDR linear accelerator system. The response of the W2 scintillator was evaluated as a function of the total integrated dose delivered, DPP, and mean and instantaneous dose rate. To account for detector radiation damage, the signal sensitivity (pC/Gy) of the W2 scintillator was measured and tracked as a function of dose history.ResultsThe W2 scintillator demonstrated mean dose rate independence and linearity as a function of integrated dose and DPP for DPP ≤ 1.5 Gy (R2 > 0.99) and PRF ≤ 90 Hz. At DPP > 1.5 Gy, nonlinear behavior and signal saturation in the blue and green signals as a function of DPP, PRF, and integrated dose became apparent. In the absence of Cerenkov correction, the W2 scintillator exhibited PW dependence, even at DPP values <1.5 Gy, with a difference of up to 31% and 54% in the measured blue and green signal for PWs ranging from 0.5 to 3.6 µs. The change in signal sensitivity of the W2 scintillator as a function of accumulated dose was approximately 4%/kGy and 0.3%/kGy for the measured blue and green signal responses, respectively, as a function of integrated dose history.ConclusionThe Exradin W2 scintillator can provide output measurements that are both dose rate independent and linear in response if the DPP is kept ≤1.5 Gy (corresponding to a mean dose rate up to 290 Gy/s in the used system), as long as proper calibration is performed to account for PW and changes in signal sensitivity as a function of accumulated dose. For DPP > 1.5 Gy, the W2 scintillator's response becomes nonlinear, likely due to limitations in the electrometer related to the high signal intensity.