bluuebunny/crossref_metadata_2025_split huggingface dataset:
Missing Components of Receptor Status Among Women With Invasive Breast Cancer
Authors: Stephens Julie A. , Fisher James L. , Wesolowski Robert , Paskett Electra D. 
Published: August 2023

ImportanceThere are well-known differences in patient outcomes and effective therapeutic options across subtypes of breast cancer (BC), defined by the status of estrogen receptor, progesterone receptor, and erb-B2 receptor tyrosine kinase 2 (ERBB2 [formerly HER2]) expression, making testing for these receptors part of the routine workup for all patients with a diagnosis of invasive BC. Despite its importance, this information is missing in some BC cases.ObjectiveTo identify female patients with BC without record of testing for estrogen receptor, progesterone receptor, or ERBB2 status, defined as missing components of receptor status (MCRS).Design, Setting, and ParticipantsThis cross-sectional study used data from National Cancer Institute’s Surveillance, Epidemiology and End Results Program of 18 population-based registries from women with a diagnosis of invasive BC (excluding death certificate–only and autopsy cases) from January 2012 to December 2016. The final analyses were completed in February 2022.Main Outcome and MeasureThe primary outcome was MCRS. Those with MCRS were summarized by age, race, stage at diagnosis, reporting source, primary payer, and geography. Multivariable logistic regression was used to estimate adjusted odds ratios (aORs) for MCRS.ResultsOverall, 321 913 patients with invasive BC were included (1928 [1%] American Indian or Alaska Native, 28 173 [9%] Asian or Pacific Islander, 36 357 [11%] Black, and 252 447 [78%] White individuals); of these, 15 250 (4.7%) had MCRS. The multivariable model showed that the odds of MCRS were higher in women 80 years or older compared with those younger than 49 years (aOR, 1.75; 95% CI, 1.65-1.88), Black compared with White women (aOR, 1.09; 95% CI, 1.00-1.16), and those with distant stage or unknown/unstaged cancer at diagnosis compared with a local stage at diagnosis (aOR, 3.33; 95% CI, 3.17-3.50; and aOR, 19.39; 95% CI, 18.15-20.72; respectively). With hospital inpatient/outpatient or clinic as the reference group, cases reported by laboratory only, nursing/convalescent home/hospice, and a physician’s office were more likely to have MCRS (aOR, 1.42; 95% CI; 1.28-1.60; aOR, 9.37; 95% CI, 6.03-14.53; and aOR, 2.32; 95% CI, 2.06-2.62; respectively). Adjusted odds of MCRS were higher for the categories of insured/no specifics and insurance status unknown compared with those who were insured. The adjusted odds of MCRS were higher in rural compared with urban areas (aOR, 1.08; 95% CI, 1.03-1.15).Conclusions and RelevanceThe results of this cross-sectional study of women with a diagnosis of invasive BC suggest that despite a standard of care recommended by all expert guidelines, there needs to be greater focus on hormone receptor and ERBB2 testing in all women with invasive BC. The results of this study may help clinicians, public health practitioners, and policymakers target affected populations to minimize or eliminate this critical health disparity and help save more lives.
Bright and Stable Perovskite Nanocrystals Lighted Up Remotely by Means of Wireless Power Transfer
Authors: Zelenkov Lev E. , Smirnov Pavel , Baranov Georgii , Tsyrinova Altana , Ilyin Stepan , Danilovskiy Eduard , Makarov Sergey , Kapitanova Polina 
Published: August 2023

AbstractHalide perovskite nanocrystals (NCs) are an emerging family of low‐cost and high‐efficiency luminescent nanomaterials. They offer a broad gamut of emitted light colors owing to the broad bandgap tunability of the perovskite via anion variation. Previously, to lighten up perovskite NCs, they were placed between two electrodes to inject charge carriers or were integrated with commercial blue light‐emitting diodes powered by electric contacts. However, the opportunities for remote lighting of perovskite NCs have not been explored yet. In this work, the principles of wireless power transfer of electromagnetic energy are applied to light up perovskite NCs encapsulated into a polymer matrix. The photoluminescence and absorption spectra of the CsPbBr3 NCs in a polymer matrix on incident laser power density are experimentally studied. As a proof of concept, chess pieces are created consisting of the perovskite NCs and charge from a chessboard with an integrated metasurface‐based resonator that provides quasi‐homogeneous power distribution. The efficient lighting of the chess pieces with encapsulated NCs is demonstrated over the whole area of the chessboard at various heights up to ≈10 cm. The results of the study open the door for potential applications of perovskite NCs with remote lighting capability.
A Novel Cyan Phosphor (K,Rb)3GdSi2O7:Ce3+ for Full‐Spectrum Lighting through Local Structure Tailoring
Authors: Huang Zhuihao , Lyu Zeyu , Sun Dashuai , Shen Sida , Lu Zheng , Zhou Luhui , Wei Shuai , You Hongpeng 
Published: August 2023

AbstractCrystal‐field engineering can obtain targeted emission more effectively, compared with the laborious experimental screening of new hosts. However, there still lack of paradigms for obtaining Ce3+‐doped cyan phosphors by crystal‐field engineering, and the correlation between the emission and the local structure of the Ce3+ ions has rarely been disclosed. Herein, through substituting the K+ in K3‐yRbyGdSi2O7:Ce3+ with Rb+, the emission color changes from yellow‐green to cyan and finally to blue. In addition, the emission intensity and thermal stability greatly improve, as the internal quantum efficiency increases from 39.4% (y = 0) to 83.6% (y = 1.2), and the thermal activation energy increases from 0.25 eV (y = 0) to 0.36 eV (y = 1.2). The optimized luminescent properties have been interpretated from the change in energy level splitting and configuration coordinate of Ce3+, both of which originate from the elongated Ce3+─O2− bonds. Finally, the cyan‐emitting phosphor K1.8R1.2GSO:Ce3+ is applied to bridge the cyan gap in a fabricated white light‐emitting diodes, and the color rendering index is improved from 90.8 to 93.4. This work not only provides an efficient cyan phosphor, but also highlights an avenue for the rational design of phosphors with optimal luminescent properties.
Association Between Fat Depletion and Prognosis of Amyotrophic Lateral Sclerosis: CT‐Based Body Composition Analysis
Authors: Choi Seok‐Jin , Yoon Soon Ho , Sung Jung‐Joon , Lee Jong Hyuk 
Published: August 2023

ObjectiveThe purpose of this study was to present the results of our investigation of the prognostic value of adipopenia and sarcopenia in patients with amyotrophic lateral sclerosis (ALS).MethodsConsecutive patients with ALS with abdominal computed tomography (CT) were retrospectively identified at a single tertiary hospital between January 2010 and July 2021. Deep learning‐based volumetric CT body composition analysis software was used to obtain abdominal waist fat volume, fat attenuation, and skeletal muscle area at the L3 level, then normalized to the fat volume index (FVI) and skeletal muscle index (SMI). Adipopenia and sarcopenia were defined as the sex‐specific lowest quartile and SMI reference values, respectively. The associations of CT‐derived body composition parameters with clinical variables, such as body mass index (BMI) and creatinine, were evaluated by Pearson correlation analyses, and associations with survival were assessed using the multivariable Cox regression analysis.ResultsEighty subjects (40 men, 65.5 ± 9.4 years of age) were investigated (median interval between disease onset and CT examination = 25 months). The mean BMI at the CT examination was 20.3 ± 4.3 kg/m2. The BMI showed a positive correlation with both FVI (R = 0.70, p < 0.001) and SMI (R = 0.63, p < 0.001), and the serum creatinine level was associated with SMI (R = 0.68, p < 0.001). After adjusting for sex, age, King's stage, BMI, creatinine, progression rate, and sarcopenia, adipopenia was associated with shorter survival (hazard ratio [HR] = 5.94, 95% confidence interval [CI] = 1.01, 35.0, p = 0.049). In a subgroup analysis for subjects with nutritional failure (stage 4a), the HR of adipopenia was 15.1 (95% CI = 2.45, 93.4, p = 0.003).InterpretationDeep learning‐based CT‐derived adipopenia in patients with ALS is an independent poor prognostic factor for survival. ANN NEUROL 2023;94:1116–1125
Design, fabrication and evaluation of redox/pH dual‐responsive micelles for tumor targeting delivery and controlled release of paclitaxel
Authors: Xu Yingxue , Liang Na , Fu Jia , Zong Zhe , Long Xueling , Sun Shaoping 
Published: August 2023

AbstractIn this study, a polymer with tumor targeting function and dual redox/pH sensitivity is designed and synthesized by integrating chitosan (CS), Poloxamer 407 (P407), cholesterol (CHO), folic acid (FA), and disulfide bonds into one molecule (P407‐CS(FA)‐SS‐CHO). The polymer can self‐assemble in water to form micelles and solubilize paclitaxel (PTX). The mean particle size of PTX‐loaded P407‐CS(FA)‐SS‐CHO micelles is 133 nm. In vitro drug release study demonstrates the acid and glutathione (GSH) triggered PTX release behavior of the micelles. In vitro and in vivo experiments demonstrate the excellent tumor growth inhibition efficacy and low systemic toxicity of the PTX‐loaded micelles. The P407‐CS(FA)‐SS‐CHO micelles will be potential intelligent drug carriers for PTX delivery.
Fabrication of N‐methyl morpholine‐N‐oxide modified bacterial exopolysaccharide as natural scaffold toward effective cartilage regeneration in monosodium iodoacetate induced experimental osteoarthritis
Authors: Sengupta Dipanjan , Chattopadhyay Helen , Sur Tapas , Auddy Biswajit , Datta Sriparna 
Published: August 2023

AbstractA non‐pathogenic strain of Ochrobactrum pseudintermedium C1 produces potent surface‐active exopolysaccharides which exhibits a porous scaffold‐like architecture. Such a property is quite prospective in facilitating housing of cells for in vivo tissue regeneration. This surfactant exopolysaccharide has been fabricated for augmenting such regenerative properties. Different vital parameters of the fabricated EPS like surface morphology, swelling behavior, in vitro degradation study, cytotoxicity and biocompatibility have been evaluated which helped postulate the applicative profile of this natural scaffold. Further, Ochrobactrum‐borne fabricated EPS, when applied as a scaffold in monosodium iodoacetate induced experimental osteoarthritis in Wistar rat model, helped significant chondrogenesis without leaving any residual amount of scaffold. The functional restoration of knee joints, assessment of chondroitin sulfate in damaged cartilage, diminution of stress induced indicators like reactive oxygen metabolite and histopathological findings quite appreciably favored the objectives. Moreover, a single high dose exhibited considerable efficacy compared to repetitive targeted administration of the scaffold at regular intervals. Thus, this novel biological macromolecule offers a green and cost‐effective alternative to various commercially available synthetic scaffolds that promote tissue regeneration.
Benzimidazolone‐piperazine/triazole/thiadiazole/furan/thiophene conjugates: Synthesis, in vitro urease inhibition, and in silico molecular docking studies
Authors: Güven Okan , Menteşe Emre , Emirik Mustafa , Sökmen Bahar Bilgin , Akyüz Gülay 
Published: August 2023

AbstractThis study describes the synthesis, in vitro urease inhibition, and molecular docking studies of benzimidazolone derivatives incorporating the piperazine, triazole, thiadiazole, furan, thiophene, and thiosemicarbazide moieties. All newly synthesized compounds demonstrated varying degrees of urease inhibitory activity, with IC50 values ranging between 0.64 ± 0.099 and 0.11 ± 0.017 µM, when compared with the standard drug thiourea (IC50 value of 0.51 ± 0.028 µM). To confirm the experimental urease inhibition results and elucidate the mode of interaction of the synthesized compounds with the binding site of the urease enzyme, molecular docking studies were performed using the Schrödinger Suite package. Molecular docking studies showed that compounds with high in vitro urease inhibition interacted with key residues of the urease active site such as His221, Glu222, Asp223, His322, Arg338, and Ni2+ cations via hydrogen bonding, metal coordination, salt bridge, π–π stacking, and π–cation interactions.
Rhodium(III)‐Catalyzed C−H/N−H Activation for Direct Synthesis of Pyrimidoindolones under Mild Conditions
Authors: Kumar Vikash , Maayuri Rajaram , Medhi Kapil , Gandeepan Parthasarathy 
Published: August 2023

AbstractPyrimidoindolones are an important structural motif found in many natural products and are essential to the pharmaceutical and agrochemical industry. Direct synthesis of 3,4‐unsubstituted pyrimidoindolones is not easily accessible. Here we report a rhodium(III)‐catalyzed C−H/N−H activation and annulation approach for obtaining pyrimidoindolones from N‐carbamoylindoles and vinylene carbonate. The reaction occurs at room temperature and does not require any external oxidants. A diverse spectrum of indoles were demonstrated to be viable substrates capable of producing the desired pyrimidoindolones in high yields. In addition, the reaction scope has been expanded to include pyrrole substrate. Furthermore, detailed mechanistic studies have been performed to delineate the working mode of the reaction.
Electro‐nape‐acupuncture regulates the differentiation of microglia through PD‐1/PD‐L1 reducing secondary brain injury in acute phase intracerebral hemorrhage rats
Authors: Liu Yijian , Zheng Shumei , Zhang Xiaohui , Guo Wenhui , Du Ruosang , Yuan Hongwen , Zhang Lu , Cui Hai 
Published: August 2023

AbstractIntroductionThis study aimed to investigate the effect of electro‐nape‐acupuncture (ENA) on the differentiation of microglia and the secondary brain injury in rats with acute‐phase intracerebral hemorrhage (ICH) through the programmed cell death protein‐1/ligand‐1 (PD‐1/PD‐L1) pathway.MethodsA total of 27 male Sprague‐Dawley rats were randomly divided into three groups: sham group, ICH group, and ENA group. The autologous blood infusion intracerebral hemorrhage model was used to study the effects of ENA by administering electroacupuncture at GB20 (Fengchi) and Jiaji (EX‐B2) acupoints on 24 h after the modeling, once per day for 3 days. The neurological function damage, hematoma lesion, and inflammatory cell infiltration were measured by the beam walking test and hematoxylin‐eosin staining. The expression of PD‐1, PD‐L1, CD86, CD206, and related cytokines around the hematoma was measured by western blot, quantitative reverse transcription polymerase chain reaction, and immunofluorescence.ResultsThe ICH group had significant neurological deficits (p < .001), hematoma lesions, and inflammatory cell infiltration. The levels of CD86 protein, inflammatory factors tumor necrosis factors (TNF)‐α, interleukin (IL)‐1β, and IL‐6 were increased (p < .001), while CD206 protein was reduced (p < .01), and the number of CD86+/CD11b+ cells was also increased (p < .001) compared to the sham group. However, after ENA intervention, there was a significant reduction in neurological function damage (p < .05), infiltration of inflammatory cells, and the expression levels of CD86+/CD11b+ cells (p < .05), resulting in the increased expression of PD‐1 protein and differentiation of M2 phenotype significantly (p < .001).ConclusionThe study concludes that ENA could reduce neurological function damage, inhibit the expression of pro‐inflammatory cytokines, and improve the infiltration of inflammatory cells to improve secondary brain injury in acute‐phase intracerebral hemorrhage rats. These effects could be related to the increased expression of PD‐1 around the lesion, promoting the differentiation of microglia from M1 to M2 phenotype.
Nonlinear cloth simulation with isogeometric analysis
Authors: Ren Jingwen , Lin Hongwei 
Published: August 2023

AbstractPhysically based cloth simulation with nonlinear behaviors is studied in this article by employing isogeometric analysis (IGA) for the surface deformation in 3D space. State‐of‐the‐art simulation techniques, which primarily rely on the triangular mesh to calculate physical points on the cloth directly, require a large number of degrees of freedom. An effective method for the cloth deformation that employs high‐order continuous B‐spline surfaces dependent on control points is proposed. This method leads to the merit of fewer degrees of freedom and superior smoothness. The deformation gradient on the high‐order IGA element is then represented by the gradient of the B‐spline function. An iterative method for solving the nonlinear optimization transferred from the implicit integration and a direct implicit–explicit method are derived on the basis of elastic force calculation to improve efficiency. The knots of the representation are effectively utilized in collision detection and response to reduce the computational burden. Experiments of nonlinear cloth simulation demonstrate the superiority of the proposed method considering performance and efficiency, achieving accurate, efficient, and stable deformation.
Ligand‐Independent Activation of Aryl Hydrocarbon Receptor and Attenuation of Glutamine Levels by Natural Deep Eutectic Solvent
Authors: Denis Amina Anaise , Toledo Daniela , Hakim Queen Assala , Quintana Aline Andrea , Escobar Catalina Real , Oluwole Samuel Abidemi , Costa Arthur , Garcia Estefania Gil , Hill Anaya Rose , Agatemor Christian 
Published: August 2023

AbstractNatural deep eutectic solvents (NADESs) are emerging sustainable alternatives to conventional organic solvents. Beyond their role as laboratory solvents, NADESs are increasingly explored in drug delivery and as therapeutics. Their increasing applications notwithstanding, our understanding of how they interact with biomolecules at multiple levels ‐ metabolome, proteome, and transcriptome ‐ within human cell remain poor. Here, we deploy integrated metabolomics, proteomics, and transcriptomics to probe how NADESs perturb the molecular landscape of human cells. In a human cell line model, we found that an archetypal NADES derived from choline and geranic acid (CAGE) significantly altered the metabolome, proteome, and transcriptome. CAGE upregulated indole‐3‐lactic acid and 4‐hydroxyphenyllactic acid levels, resulting in ligand‐independent activation of aryl hydrocarbon receptor to signal the transcription of genes with implications for inflammation, immunomodulation, cell development, and chemical detoxification. Further, treating the cell line with CAGE downregulated glutamine biosynthesis, a nutrient rapidly proliferating cancer cells require. CAGE's ability to attenuate glutamine levels is potentially relevant for cancer treatment. These findings suggest that NADESs, even when derived from natural components like choline, can indirectly modulate cell biology at multiple levels, expanding their applications beyond chemistry to biomedicine and biotechnology.
Systematic Search for Thermal Decomposition Pathways of Formic Acid on Anatase TiO2 (101) Surface**
Authors: Nabata Hitoshi , Maeda Satoshi 
Published: August 2023

AbstractIn this study, the reaction pathways for the thermal decomposition of formic acid on the anatase TiO2 (101) surface were systematically investigated. The investigation was carried out using a single‐component artificial force induced reaction method that combines density functional theory calculations. In order to uncover the overall mechanism at low surface coverage, we explored reaction path networks for three different conditions of the anatase TiO2 (101) surfaces: clean, protonated, and oxygen‐deficient surfaces. Previous temperature‐programmed desorption (TPD) experiments had shown that H2O desorption starts at a low temperature of about 300 K, while CO and formaldehyde desorption starts at high temperatures of about 500 K. The present reaction path networks are consistent with the overall trend observed in the TPD experiments. Using the reaction pathways extracted from these networks, the overall dissociation mechanism has been discussed.
Atomistic‐Level Effects of Noncovalent Interactions and Crystalline Packing for Organic Material Structural Integrity upon Exposure to Gamma Radiation
Authors: Kruse Samantha J. , Rajapaksha Harindu , MacGillivray Leonard R. , LaVerne Jay A. , Forbes Tori Z. 
Published: August 2023

AbstractDeveloping an atomistic understanding of ionizing radiation induced changes to organic materials is necessary for intentional design of greener and more sustainable materials for radiation shielding and detection. Cocrystals are promising for these purposes, but a detailed understanding of how the specific intermolecular interactions within the lattice upon exposure to radiation affect the structural stability of the organic crystalline material is unknown. This study evaluates atomistic‐level effects of γ radiation on both single‐ and multicomponent organic crystalline materials and how specific noncovalent interactions and packing within the crystalline lattice enhance structural stability. Dose studies were performed on all crystalline systems and evaluated via experimental and computational methods. Changes in crystallinity were evaluated by p‐XRD and free radical formation was analyzed via EPR spectroscopy. Type of intermolecular interactions and packing within the crystal lattice was delineated and related to the specific free radical species formed and the structural integrity of each material. Periodic DFT and HOMO‐LUMO surface mapping calculations provided atomistic‐level identifications of the most probable sites for the radicals formed upon exposure to γ radiation and relate intermolecular interactions and molecular packing within the crystalline lattice to experimental results.
The 2030 Agenda and sustainable development in tourism firms: Board gender diversity and environmental policy on natural resource use
Authors: Gallego‐Sosa Clara , Fernández‐Torres Yakira , Gutiérrez‐Fernández Milagros 
Published: August 2023

AbstractThis study examines whether gender diversity on the board of directors determines the performance of tourism firms in terms of their use of natural resources. A variable measuring environmental performance in response to the targets of the Sustainable Development Goals (SDGs) is created for the first time. The creation of this variable represents the main contribution of this study. Focusing on the under‐researched environmental dimension of natural resource use also contributes to the literature. A third contribution is the choice of the tourism sector, since its performance from the perspective of the SDGs has not been assessed in previous literature. Data correspond to a sample of 163 tourism companies over the period 2015–2020. Fixed effects estimation provides robust evidence of the importance of including female talent on the board of directors. Women's inclusion on the board can promote environmental policies that seek sustainable development.