bluuebunny/crossref_metadata_2025_split huggingface dataset:
The values of ΔfHo298.15 and So298.15 of the radicals formed by the abstraction of H atom from the p‐Benzylphenol and Dimethyl Phthalate
Authors: Poskrebyshev Gregory A. 
Published: August 2022

AbstractIn the present work, the thermochemical properties of the radicals (Yj), formed by abstraction of H atom from Dimethyl Phthalate (o‐Ph(C(O)OCH3)2) and p‐Benzylphenol (p‐PhCH2PhOH), are determined at the B3LYP/6‐311++G(d,p) (j = 1), M06‐2X/6‐311++G(d,p) (j = 2), and RO/CBS‐4 M (j = 3 and 4) levels of theory. Their calculated values of Ho298.15(Yj, CALC) are used for the determination of thermochemistry of atomization (ΔrHo298.15(Yj,CALC)atom) and homodesmotic (ΔrHo298.15((RYi)j,CALC)REAC) reactions of considered radicals. The reported calibration dependencies are used for the correction of calculated values and determination of the most consistent and accurate values of ΔfHo298.15 and ΔfGo298.15. It is found that o‐CH3OC(O)PhC(O)OCH2∙ (1C), p‐PhC∙HPhOH (1D) and p‐PhCH2PhO∙ (3D) are the most thermochemically stable structures. The intersection of reported 3SEj (= 3σj) intervals of ΔfHo298.15(1Cj,CORR)atom of atomization results the value of ΔfHo298.15(1C,CORR)MEAN = −405.1 ± 1.3 kJ/mol (±3SEY = 3σY), while, the most accurate values of ΔfHo298.15(1D and 3D,CORR)REACMEAN = 114.7 ± 0.4 and 135.8 ± 5 kJ/mol (± 3SEYREAC = 3σYREAC) are determined using the values ΔfHo298.15((RYi)j,CORR)REAC of homodesmotic reactions. The values of ΔfGo298.15, determined using the values of ΔfHo298.15 and So298.15 of these radicals, demonstrate that the exothermic reaction (17) HO2∙ + p‐PhCH2PhOH → H2O2 + p‐PhC∙HPhOH (–22.9 kJ/mol) is thermochemically more favorable than the reaction (19) HO2∙ + p‐PhCH2PhOH → H2O2 + p‐PhCH2PhO∙ (–1.8 kJ/mol). However, the value of kT(17) = 1.63 × 10–14(T/298.15)3.6e(‐6282/T), calculated using the VTST, is kinetically more favorable at elevated temperatures, while, the reaction (19) (kT(19) = 1.04×10–16(T/298.15)2.17e(–5207/T)) is more important at T < 200 K. The thermochemical properties of these radicals, as well as the calculated rate constants of their formation in reactions of HO2∙ radicals with p‐Benzylphenol, are reported for the first time.
Vacuum‐Referred Binding Energies of Bismuth and Lanthanide Levels in LiTaO3 Perovskite: Toward Designing Energy Storage Phosphor for Anti‐Counterfeiting, X‐Ray Imaging, and Mechanoluminescence
Authors: Lyu Tianshuai , Dorenbos Pieter 
Published: August 2022

AbstractDiscovering UV‐light or X‐ray charged afterglow and storage phosphors with high charge carrier storage capacity remains challenging. Herein, a method is proposed by combining vacuum referred binding energy (VRBE) diagram construction and optimization of dopants’ concentration and compound synthesis. The refined chemical shift model, optical spectroscopy, and thermoluminescence will be combined to construct the VRBE diagram of LiTaO3 with the lanthanide and bismuth charge transition levels. Based on the constructed VRBE diagram of LiTaO3, Bi3+, and/or Ln3+ (Ln = Tb or Pr) doped LiTaO3 will be studied. By combining Bi3+ with Tb3+, Pr3+, or Bi3+ itself, Bi3+ emerges to act as a ≈0.62 eV deep electron trap, while Tb3+, Pr3+, or Bi3+ acts as about 1.5 eV deep hole capturing and recombination centres. The VRBE in the Bi2+ 2P1/2 ground state will be derived by thermoluminescence study. Proof‐of‐concept X‐ray imaging, compression force distribution monitoring, and color‐tailoring for anti‐counterfeiting will be demonstrated by using the developed Bi3+ and/or Ln3+ doped LiTaO3. This work promotes the understanding of trap level locations and on the trapping and release processes of charge carriers in Bi3+ and/or lanthanides doped inorganic compounds for rational design of new afterglow and storage phosphors.
A Comparative Study on the Addition of MgO and Mg(OH)2 Nanoparticles into PCL Electrospun Fibers
Authors: Salaris Valentina , Leonés Adrián , López Daniel , Kenny José Maria , Peponi Laura 
Published: August 2022

AbstractIn this work, a comparative study between the morphology, the thermal and the mechanical properties of poly(ɛ‐caprolactone) (PCL)‐based electrospun fiber mats reinforced with both MgO and Mg(OH)2 nanoparticles, is carried out. Both MgO and Mg(OH)2 nanoparticles have been added in a range of concentrations such as 0.5, 1, 5, 10, 20 wt% with respect to the PCL matrix, with the aim of improving their mechanical properties in comparison with neat PCL electrospun fibers. From the morphological point of view, electrospun fibers are randomly collected and an increase in the average fiber diameter with the addition of nanoparticles is observed. The addition of both types of nanoparticles lower the onset degradation temperature as well as the maximum degradation temperature of neat ePCL of about 50 °C with the higher content of nanoparticles. Furthermore, PCL electrospun nanofiber mats show a degree of crystallinity of 53%, which is quite high. However, the addition of 20 wt% of both MgO and Mg(OH)2 lowers the crystallinity of the reinforced electrospun fibers to 50% and 43% for PCL + MgO 20 wt% and Mg(OH)2 20 wt%, respectively.
Hybrid Phenol‐Rhodamine Dye Based Mechanochromic Double Network Hydrogels with Tunable Stress Sensitivity
Authors: Xu Bo , Luo Zixiong , Xiao Rui , Wang Zhijian , Yang Jiping 
Published: August 2022

AbstractMechanochromic hydrogels, which can switch their color in response to the applied external force, have shown great potential in stress visualization and damage indication. However, the kinds of colors in the reported mechanochromic hydrogels are limited. It is challenging to develop mechanochromic hydrogels with new kinds of color changes. Herein, a kind of mechanochromic double network (DN) hydrogel is reported based on the hybrid phenol‐rhodamine mechanophore. The hydrogels turn into orange color with an emission wavelength of around 566/574 nm in response to tensile and compressive stress. The DN hydrogels show great reversibility. The color of DN hydrogels vanishes slowly after releasing the stress. The stress sensitivity can be tailored by the crosslinking density and the mechanophore concentration of the first network. In addition, the influence of the pH on the mechanochromic properties of DN hydrogels is also studied. This study provides an insightful study in tuning the stress sensitivity in the mechanochromic hydrogel, which will be beneficial for the development of mechanochromic materials.
Investigation on experiments and numerical modeling of the residual stress distribution in deformed surface layer of Al6061 alloy after ultrasonic peening treatment
Authors: Lak M. , Sadough Vanini S.A. , Ghasemi A. 
Published: August 2022

AbstractUltrasonic peening treatment is a modern technique that enhances the surface properties of the metallic components by imposing static and dynamic loadings. The efficiency of this technique dramatically is dependent on the controlling parameters of ultrasonic peening treatment. In this study, an experimental and numerical investigation on ultrasonic peening treatment was carried out. The numerically predicted residual stress profile was verified using x‐ray diffraction measurement. Moreover, a parametric study was performed to investigate the effect of needle diameter, impact number, device moving velocity and static force on residual stress distribution. Based on the results, increasing in needle diameter, impact number and static force had positive effects on residual stress profile. In contrast, higher device moving velocity caused to emerge undesirable effects.
Effects of antimony on eutectic silicon and fracture mode of A357 alloy at different cooling rates
Authors: Mao G. , Wu Z. , Liu S. , Zhong L. , Gao W. 
Published: August 2022

AbstractThe effects of antimony on eutectic silicon and fracture mode of A357 alloy were investigated at slow and fast cooling rates by scanning electron microscopy, transmission electron microscopy, polarizing microscope, differential scanning calorimetry, optical microscope and tensile testing. The slow cooling rate is 0.16 °C/s, and the fast cooling rate is 3.20 °C/s. The results show that with antimony addition, the eutectic silicon of A357 alloy is modified. Antimony does not modify eutectic silicon of A357 alloy by increasing the number of twins. Under the same cooling rate condition, with antimony addition, the volume fraction of eutectic phases increases, and when studying the modification of eutectic silicon of some modifiers, we also need to study the eutectic phases including eutectic silicon and eutectic α‐aluminum. With antimony addition, tensile strength and elongation of A357 alloy increase, especially under fast cooling rate conditions. With the increase of elongation, the fracture mode of A357 alloy changes from I to I+II to I+II+III.
Mechanism and application of nonessential amino acid deprivation associated with tumor therapy
Authors: Nong Shiqi , Qian Yuran , Zhang Tingyue , Zhou Xueyan , Wei Yuhao , Yin Xiaomeng , Ma Xuelei 
Published: August 2022

AbstractMetabolic reprogramming manifested as glycolysis is considered a character of metabolic activity in tumor cells. Glucose used in glycolysis is the major energy source to support the growth and development of tumor cells, contributing to the high glycolytic flux production for the accumulation of cell mass. Of note, beside high consumption of glucose, the glutamine of nonessential amino acids (NEAAs) could be used as a carbon and nitrogen source. However, glucose and glutamine alone are still not enough to serve as the nutritional source for tumors. Other NEAAs are also important, such as serine, asparagine, and arginine. Related studies have confirmed in cells and animal models that either increase or decrease of NEAAs can limit the growth of tumor cells. Therefore, NEAAs deprivation diet has attracted more attention in recent years and it has been gradually applied in clinical practice for further research. In this review, the possible mechanism and potential applications of NEAAs in diet deprivation therapy are summarized, which may provide a direction for the future application in cancer treatment.
New progress in tumor treatment based on nanoparticles combined with irreversible electroporation
Authors: Xu Lei , Xie Liting , Fang ChengYu , Lou WenJing , Jiang Tianan 
Published: August 2022

AbstractNanoknife is a new tumor ablation technology. It forms nano permanent perforation on tumor cells by releasing high‐voltage pulses, destroying the intracellular balance and making cells apoptosis rapidly. So nano knife is also known as irreversible electroporation (IRE). IRE ablation technology and nanoparticles (NPs) have unique advantages in tumor treatment. Relevant studies have confirmed that NPs can enhance the effect of IRE ablation, expand the ablation boundary and reduce the threshold intensity of tumor cell perforation. Moreover, IRE combined with the drug‐loaded NPs can synergize tumor immunotherapy. Thus, the combination of NPs and IRE has broad research prospects. This paper reviews the mechanism of tumor treatment with NPs combined with IRE and discusses the future challenges and opportunities of combining these two technologies.
Utilizing partial flexibility to improve emergency department flow: Theory and implementation
Authors: Chan Carri W. , Sarhangian Vahid , Talwai Prem , Gogia Kriti 
Published: August 2022

AbstractEmergency departments (EDs) typically have multiple areas where patients of different acuity levels receive treatments. In practice, different areas often operate with fixed nurse staffing levels. When there are substantial imbalances in congestion among different areas, it could be beneficial to deviate from the original assignment and reassign nurses. However, reassignments typically are only feasible at the beginning of 8–12‐h shifts, providing partial flexibility in adjusting staffing levels. In this work, we propose a stochastic queueing network model of patient flow in the ED and study an associated fluid control problem to guide the reassignment decision for two types of nursing staff. We propose a heuristic solution approach and investigate its performance both analytically and using simulation. Analytical results and simulation experiments suggest a significant reduction of waiting times in parameter regimes relevant to the ED setting. We further implement the staffing approach at a large ED. This pilot study highlights several challenges of implementing operational interventions in the ED, including the difficulty of establishing a clean statistical environment in such setting. Despite these challenges, we find that guiding reassignment decisions using our approach is associated with significant improvements to patient flow including a reduction in average total ED length‐of‐stay of 1.7 h.
Contextual factors influencing parents' assessments of family‐centred care in the paediatric emergency department: A qualitative study
Authors: Rosenthal Jennifer L. , Perez Susan L. , Young Heather M. 
Published: August 2022

AbstractAimTo identify the contextual factors influencing parents' assessments of the family‐centredness of care received during a paediatric emergency department visit.DesignA qualitative cross‐sectional case study.MethodsWe interviewed parents who were at their child's bedside during an emergency department encounter. We independently coded the first 3 transcripts and met to discuss the coding structure and to refine existing codes, add new codes and develop tentative categories. We repeated this process for every 3–5 transcripts until thematic saturation was reached.ResultsWe conducted 16 interviews and identified 2 themes: (1) Not all parents expected physicians to provide family‐centred care in the emergency department and (2) feeling overwhelmed and powerless influenced parents' perceptions of family‐centred care. Poor family‐centred care worsened parents' sense of powerlessness and reinforced parents' low expectations from physicians. Similarly, low expectations and powerlessness exacerbated poor family‐centred care. Interventions are needed to break this cycle and improve family‐centredness of care.
Adrenomedullin2 stimulates progression of thyroid cancer in mice and humans under nutrient excess conditions
Authors: Kim Jung Tae , Lim Mi Ae , Lee Seong Eun , Kim Hyun Jung , Koh Hyun Yong , Lee Jeong Ho , Jun Sang Mi , Kim Jin Man , Kim Kun Ho , Shin Hyo Shik , Cho Sun Wook , Kim Koon Soon , Shong Minho , Koo Bon Seok , Kang Yea Eun 
Published: August 2022

AbstractThyroid cancer is associated with genetic alterations, e.g. BRAFV600E, which may cause carcinomatous changes in hormone‐secreting epithelial cells. Epidemiological studies have shown that overnutrition is related to the development and progression of cancer. In this study, we attempted to identify the cell nonautonomous factor responsible for the progression of BRAFV600E thyroid cancer under overnutrition conditions. We developed a mouse model for inducible thyrocyte‐specific activation of BRAFV600E, which showed features similar to those of human papillary thyroid cancer. LSL‐BrafV600E;TgCreERT2 showed thyroid tumour development in the entire thyroid, and the tumour showed more abnormal cellular features with mitochondrial abnormalities in mice fed a high‐fat diet (HFD). Transcriptomics revealed that adrenomedullin2 (Adm2) was increased in LSL‐BrafV600E;TgCreERT2 mice fed HFD. ADM2 was upregulated on the addition of a mitochondrial complex I inhibitor or palmitic acid with integrated stress response (ISR) in cancer cells. ADM2 stimulated protein kinase A and extracellular signal‐regulated kinase in vitro. The knockdown of ADM2 suppressed the proliferation and migration of thyroid cancer cells. We searched The Cancer Genome Atlas and Genotype‐Tissue Expression databases and found that increased ADM2 expression was associated with ISR and poor overall survival. Consistently, upregulated ADM2 expression in tumour cells and circulating ADM2 molecules were associated with aggressive clinicopathological parameters, including body mass index, in thyroid cancer patients. Collectively, we identified that ADM2 is released from cancer cells under mitochondrial stress resulting from overnutrition and acts as a secretory factor determining the progressive properties of thyroid cancer. © 2022 The Authors. The Journal of Pathology published by John Wiley & Sons Ltd on behalf of The Pathological Society of Great Britain and Ireland.
Evidence‐based surgical guidelines for treating children with Wilms tumor in low‐resource settings
Authors: Abdelhafeez Abdelhafeez H. , Reljic Tea , Kumar Ambuj , Banu Tahmina , Cox Sharon , Davidoff Andrew M. , Elgendy Ahmed , Ghandour Khalil , Gerstle J. Ted , Karpelowsky Jonathan , Kaste Sue C. , Kechiche Nahla , Esiashvili Natia , Nasir Abdulrasheed , Ngongola Amon , Marollano Jin , Moreno Amabelle A. , Muzira Arlene , Parkes Jeannette , Saldaña Lily J. , Shalkow Jaime , Vujanić Gordan M. , Velasquez Thelma , Lakhoo Kokila , Mukkada Sheena , Abib Simone 
Published: August 2022

AbstractBackgroundSurvival of Wilms tumor (WT) is > 90% in high‐resource settings but < 30% in low‐resource settings. Adapting a standardized surgical approach to WT is challenging in low‐resource settings, but a local control strategy is crucial to improving outcomes.ObjectiveProvide resource‐sensitive recommendations for the surgical management of WT.MethodsWe performed a systematic review of PubMed and EMBASE through July 7, 2020, and used the GRADE approach to assess evidence and recommendations.RecommendationsInitiation of treatment should be expedited, and surgery should be done in a high‐volume setting. Cross‐sectional imaging should be done to optimize preoperative planning. For patients with typical clinical features of WT, biopsy should not be done before chemotherapy, and neoadjuvant chemotherapy should precede surgical resection. Also, resection should include a large transperitoneal laparotomy, adequate lymph node sampling, and documentation of staging findings. For WT with tumor thrombus in the inferior vena cava, neoadjuvant chemotherapy should be given before en bloc resection of the tumor and thrombus and evaluation for viable tumor thrombus. For those with bilateral WT, neoadjuvant chemotherapy should be given for 6–12 weeks. Neither routine use of complex hilar control techniques during nephron‐sparing surgery nor nephron‐sparing resection for unilateral WT with a normal contralateral kidney is recommended. When indicated, postoperative radiotherapy should be administered within 14 days of surgery. Post‐chemotherapy pulmonary oligometastasis should be resected when feasible, if local protocols allow omission of whole‐lung irradiation in patients with nonanaplastic histology stage IV WT with pulmonary metastasis without evidence of extrapulmonary metastasis.ConclusionWe provide evidence‐based recommendations for the surgical management of WT, considering the benefits/risks associated with limited‐resource settings.
Electrospinning strategy for the preparation of nano‐porous fibers as modifier for inducing the network structure and enhancing mechanical properties of SBS‐modified asphalt
Authors: Zhu Zhaorong , Liu Yu , Muhammad Yaseen , Pei Ruinan , Li Yingyun , Li Jing 
Published: August 2022

AbstractElectrospinning is used to control the interface structure of macro‐polyacrylonitrile (PAN) fibers, and nano‐porous fibers (E‐PAN) which possess enhanced adhesion and interface effects. Herein, E‐PAN was prepared via electrospinning and was in turn incorporated into styrene‐butadiene‐styrene (SBS) asphalt to prepare PAN modified asphalt. The effect of E‐PAN addition on the performance of modified asphalt was explored. Fourier transform infrared (FT‐IR) spectroscopy, X‐ray diffraction, scanning electron microscopy, atomic force microscopy (AFM), and AFM tests confirmed that E‐PAN exhibited a highly rough nano‐porous skeleton without any prominent structural damage during the preparation process. The three major indexes, dynamic shearing rheometer, MSCR, rotational viscosity, and thermogravimetric analysis tests results showed that E‐PAN modified asphalt exhibited excellent viscoelasticity, anti‐rutting and anti‐fatigue properties and thermal stability (THRI of 192.7°C). FT‐IR test of the four components of modified asphalt confirmed that E‐PAN chemically crosslinked with the saturates and aromatics in the base asphalt and SBS, which resulted in a uniform and well‐developed network structure. In addition, Brauner‐Emmett‐Teller and fluorescence microscopy results confirmed that E‐PAN got fully swollen in a behavior similar to that of SBS in the base asphalt, and hence helped SBS to form an excellent network structure in asphalt. E‐PAN played the important role of stress buffer, mutual entanglement, and good thermal insulation inside the asphalt.
Tensile and shear behavior of plain weave fabric carbon fiber reinforced polymer at elevated temperatures
Authors: Barile Claudia , Paramsamy Kannan Vimalathithan , Del Core Lucia , Casavola Caterina 
Published: August 2022

AbstractPlain weave fabric carbon fiber reinforced polymer (CFRP) Composites are tested at four different temperature conditions: room temperature, 82°C, 100°C, and 120°C. The variation in their tensile and in‐shear properties are studied. The tensile properties seemingly increased when the specimens are tested close to their curing temperature but reduced up to 7.88% with respect to the room temperature conditions, when they are tested close to their glass transition temperature. The in‐plane shear strength and the shear modulus decreased significantly, due to the fiber‐matrix interaction, at higher temperature. The specimens tested close to the glass transition temperature lost their properties up to 44.36% in in‐plane shear strength and 29.26% in shear modulus, with respect to their properties at room temperature. These reductions are predicted by four predictive models and are compared with the experimental data. For predicting the tensile strength at elevated temperature, it is suggested to use modified Gibson or Nadjai model and for the in‐plane shear strength, Hawileh model.
Time‐varying, ray tracing irradiance simulation approach for photovoltaic systems in complex scenarios with decoupled geometry, optical properties and illumination conditions
Authors: Andres Calcabrini , Ruben Cardose , David Gribnau , Pavel Babal , Patrizio Manganiello , Miro Zeman , Olindo Isabella 
Published: August 2022

AbstractThe accurate computation of the irradiance incident on the surface of photovoltaic modules is crucial for the simulation of the energy yield of a photovoltaic system. Depending on the geometrical complexity of the surroundings, different approaches are commonly employed to calculate the irradiance on the photovoltaic system. In this article, we introduce a backward ray tracing simulation approach to calculate the irradiance on photovoltaic systems in geometrically complex scenarios. We explain how the repetition of time‐consuming simulation steps can be avoided with the proposed approach by storing a selection of the results from the most computationally expensive parts of the problem, and we show that the irradiance calculated with the proposed approach is in good agreement with the results of Radiance, a well‐established irradiance simulation tool. Furthermore, we present an experimental validation carried out using a pyranometer and a reference cell over a period of 6 months in a complex scenario, which shows errors lower than 5% in the calculation of the daily irradiation. Finally, we compare high‐resolution spectral simulations with measurements taken with a spectroradiometer under different sky conditions. The proposed approach is particularly well‐suited for the simulation of bifacial and tandem photovoltaic modules in complex urban environments, for it enables the efficient simulation of high‐resolution spectral irradiance in scenarios with time‐varying reflectance properties.